USER MOD reduce.3.24.130724 H: found=0, std=0, add=1752, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 HIS : no HE2:sc= 2.04 K(o=5,f=-16!) USER MOD Set 1.2: B 92 SER OG : rot -73:sc= 0.879 USER MOD Set 1.3: B 108 CYS SG : rot 111:sc= 2.13 USER MOD Set 2.1: B 90 THR OG1 : rot -89:sc= 0.927 USER MOD Set 2.2: B 110 ASN : amide:sc= 0.765 K(o=1.7,f=-0.54) USER MOD Set 3.1: A 70 GLN :FLIP amide:sc= -0.199 F(o=-0.86,f=-0.34) USER MOD Set 3.2: B 27 HIS :FLIP no HE2:sc= -0.14 F(o=-0.86,f=-0.34) USER MOD Set 4.1: A 16 HIS : +bothHN:sc= 1.86 K(o=5.3,f=-17!) USER MOD Set 4.2: A 92 SER OG : rot -73:sc= 1.32 USER MOD Set 4.3: A 108 CYS SG : rot -159:sc= 2.15 USER MOD Set 5.1: A 88 MET CE :methyl 164:sc= -1.38 (180deg=-1.17) USER MOD Set 5.2: A 90 THR OG1 : rot -86:sc= 0.791 USER MOD Set 5.3: A 110 ASN : amide:sc= 0.515 K(o=-0.072,f=-2) USER MOD Set 6.1: A 80 SER OG : rot 172:sc= 0.537 USER MOD Set 6.2: A 82 ASN : amide:sc= 1.11 K(o=1.6,f=0.46) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.459 K(o=-0.46,f=-2.9!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 14 SER OG : rot 116:sc= 0.234 USER MOD Single : A 17 ASN : amide:sc= 0.881 K(o=0.88,f=-5.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.0011) USER MOD Single : A 29 CYS SG : rot -81:sc= 1.24 USER MOD Single : A 32 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 35 TYR OH : rot 50:sc= 0.503 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.345 F(o=-3.8!,f=-0.35) USER MOD Single : A 38 GLN : amide:sc= 0.651 K(o=0.65,f=-5.9!) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.07) USER MOD Single : A 44 ASN : amide:sc= 0.564 K(o=0.56,f=-0.083) USER MOD Single : A 49 CYS SG : rot 72:sc= -1.82! USER MOD Single : A 50 HIS : no HE2:sc= 0.579 K(o=0.58,f=-4.6!) USER MOD Single : A 54 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.2!) USER MOD Single : A 55 GLN : amide:sc= -0.0739 K(o=-0.074,f=-0.64) USER MOD Single : A 60 SER OG : rot 76:sc= 1.24 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.144 F(o=-0.77,f=-0.14) USER MOD Single : A 63 GLN : amide:sc= 1.17 K(o=1.2,f=-1.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.15) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 146:sc= -0.169 (180deg=-1.73!) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= 1.21 (180deg=1.05) USER MOD Single : A 83 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.39) USER MOD Single : A 91 SER OG : rot 76:sc= 1.6 USER MOD Single : A 94 THR OG1 : rot -144:sc= 1.06 USER MOD Single : A 96 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.7!) USER MOD Single : A 97 ASN : amide:sc= -0.599! C(o=-0.6!,f=-4.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 87:sc= 1.31 USER MOD Single : A 105 TYR OH : rot -73:sc= 0.957 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 111 THR OG1 : rot -98:sc= 1.12 USER MOD Single : A 112 ASN : amide:sc= -0.428! X(o=-0.43!,f=-0.11) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.567 K(o=0.57,f=-1.2) USER MOD Single : B 10 THR OG1 : rot 180:sc=0.000324 USER MOD Single : B 14 SER OG : rot -81:sc= 1.1 USER MOD Single : B 17 ASN : amide:sc= 0.289 K(o=0.29,f=-7.9!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 CYS SG : rot 89:sc= 1.11 USER MOD Single : B 32 THR OG1 : rot 72:sc= 1.21 USER MOD Single : B 35 TYR OH : rot -103:sc= 0.755 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.309 F(o=-3.8!,f=-0.31) USER MOD Single : B 38 GLN : amide:sc= 0.944 K(o=0.94,f=-5.8!) USER MOD Single : B 43 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.13) USER MOD Single : B 44 ASN : amide:sc= 0.27 X(o=0.27,f=0.0027) USER MOD Single : B 49 CYS SG : rot 78:sc= -0.968 USER MOD Single : B 50 HIS : no HE2:sc= -0.967 K(o=-0.97,f=-7.2!) USER MOD Single : B 54 GLN : amide:sc= 0.569 K(o=0.57,f=-0.69) USER MOD Single : B 55 GLN : amide:sc= -0.0559 K(o=-0.056,f=-0.57) USER MOD Single : B 60 SER OG : rot 79:sc= 1.25 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.242 F(o=-1.1,f=-0.24) USER MOD Single : B 63 GLN : amide:sc=-0.00939 X(o=-0.0094,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -174:sc= 1.31 (180deg=1.17) USER MOD Single : B 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 SER OG : rot -142:sc= -0.111 USER MOD Single : B 75 MET CE :methyl 172:sc= -0.276 (180deg=-0.376) USER MOD Single : B 80 SER OG : rot 149:sc= -1.97! USER MOD Single : B 81 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.05) USER MOD Single : B 82 ASN : amide:sc= 0.37 K(o=0.37,f=-0.39) USER MOD Single : B 83 GLN : amide:sc= -0.022 K(o=-0.022,f=-3!) USER MOD Single : B 88 MET CE :methyl -109:sc= -0.292 (180deg=-2.83) USER MOD Single : B 91 SER OG : rot 77:sc= 0.0518 USER MOD Single : B 94 THR OG1 : rot -140:sc= 0.857 USER MOD Single : B 96 GLN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : B 97 ASN : amide:sc= -1.79! C(o=-1.8!,f=-6.6!) USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 SER OG : rot 180:sc= 0.0763 USER MOD Single : B 105 TYR OH : rot -48:sc= 1 USER MOD Single : B 109 THR OG1 : rot -150:sc= 0.086 USER MOD Single : B 111 THR OG1 : rot 78:sc= 0.614 USER MOD Single : B 112 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 7 6.292 -2.909 -13.737 1.00 15.60 N ATOM 2 CA CYS A 7 5.120 -3.800 -13.661 1.00 14.69 C ATOM 3 C CYS A 7 4.095 -3.245 -12.687 1.00 14.16 C ATOM 4 O CYS A 7 4.444 -2.548 -11.734 1.00 14.28 O ATOM 5 CB CYS A 7 5.550 -5.204 -13.226 1.00 14.54 C ATOM 6 SG CYS A 7 6.653 -6.035 -14.394 1.00 15.21 S ATOM 0 HA CYS A 7 4.666 -3.860 -14.650 1.00 14.69 H new ATOM 0 HB2 CYS A 7 6.048 -5.136 -12.259 1.00 14.54 H new ATOM 0 HB3 CYS A 7 4.660 -5.817 -13.084 1.00 14.54 H new ATOM 0 HG CYS A 7 6.962 -7.212 -13.937 1.00 15.21 H new ATOM 12 N GLN A 8 2.834 -3.554 -12.939 1.00 13.72 N ATOM 13 CA GLN A 8 1.744 -3.097 -12.092 1.00 13.30 C ATOM 14 C GLN A 8 1.298 -4.227 -11.167 1.00 12.74 C ATOM 15 O GLN A 8 0.627 -5.167 -11.603 1.00 12.41 O ATOM 16 CB GLN A 8 0.570 -2.621 -12.949 1.00 13.55 C ATOM 17 CG GLN A 8 0.929 -1.515 -13.930 1.00 14.28 C ATOM 18 CD GLN A 8 0.858 -0.134 -13.310 1.00 14.71 C ATOM 19 OE1 GLN A 8 0.079 0.105 -12.389 1.00 14.83 O ATOM 20 NE2 GLN A 8 1.663 0.788 -13.815 1.00 15.08 N ATOM 0 H GLN A 8 2.538 -4.125 -13.731 1.00 13.72 H new ATOM 0 HA GLN A 8 2.093 -2.260 -11.487 1.00 13.30 H new ATOM 0 HB2 GLN A 8 0.171 -3.470 -13.504 1.00 13.55 H new ATOM 0 HB3 GLN A 8 -0.225 -2.267 -12.293 1.00 13.55 H new ATOM 0 HG2 GLN A 8 1.936 -1.686 -14.311 1.00 14.28 H new ATOM 0 HG3 GLN A 8 0.253 -1.560 -14.784 1.00 14.28 H new ATOM 0 HE21 GLN A 8 2.295 0.550 -14.579 1.00 15.08 H new ATOM 0 HE22 GLN A 8 1.651 1.736 -13.440 1.00 15.08 H new ATOM 29 N PRO A 9 1.679 -4.157 -9.882 1.00 12.79 N ATOM 30 CA PRO A 9 1.332 -5.184 -8.895 1.00 12.47 C ATOM 31 C PRO A 9 -0.153 -5.189 -8.546 1.00 11.53 C ATOM 32 O PRO A 9 -0.833 -4.165 -8.654 1.00 11.34 O ATOM 33 CB PRO A 9 2.168 -4.799 -7.671 1.00 12.83 C ATOM 34 CG PRO A 9 2.396 -3.335 -7.811 1.00 13.43 C ATOM 35 CD PRO A 9 2.473 -3.066 -9.288 1.00 13.37 C ATOM 0 HA PRO A 9 1.534 -6.187 -9.270 1.00 12.47 H new ATOM 0 HB2 PRO A 9 1.643 -5.031 -6.744 1.00 12.83 H new ATOM 0 HB3 PRO A 9 3.111 -5.346 -7.648 1.00 12.83 H new ATOM 0 HG2 PRO A 9 1.585 -2.768 -7.353 1.00 13.43 H new ATOM 0 HG3 PRO A 9 3.317 -3.034 -7.311 1.00 13.43 H new ATOM 0 HD2 PRO A 9 2.062 -2.088 -9.539 1.00 13.37 H new ATOM 0 HD3 PRO A 9 3.503 -3.080 -9.645 1.00 13.37 H new ATOM 43 N THR A 10 -0.647 -6.347 -8.122 1.00 11.09 N ATOM 44 CA THR A 10 -2.044 -6.501 -7.745 1.00 10.34 C ATOM 45 C THR A 10 -2.296 -5.962 -6.338 1.00 9.71 C ATOM 46 O THR A 10 -2.848 -6.651 -5.476 1.00 9.71 O ATOM 47 CB THR A 10 -2.459 -7.979 -7.813 1.00 10.40 C ATOM 48 OG1 THR A 10 -1.291 -8.814 -7.744 1.00 11.09 O ATOM 49 CG2 THR A 10 -3.225 -8.267 -9.095 1.00 10.67 C ATOM 0 H THR A 10 -0.093 -7.199 -8.031 1.00 11.09 H new ATOM 0 HA THR A 10 -2.644 -5.926 -8.451 1.00 10.34 H new ATOM 0 HB THR A 10 -3.112 -8.195 -6.967 1.00 10.40 H new ATOM 0 HG1 THR A 10 -1.559 -9.756 -7.786 1.00 11.09 H new ATOM 0 HG21 THR A 10 -3.508 -9.319 -9.121 1.00 10.67 H new ATOM 0 HG22 THR A 10 -4.122 -7.649 -9.130 1.00 10.67 H new ATOM 0 HG23 THR A 10 -2.594 -8.040 -9.955 1.00 10.67 H new ATOM 57 N GLU A 11 -1.880 -4.728 -6.121 1.00 9.37 N ATOM 58 CA GLU A 11 -2.033 -4.062 -4.841 1.00 9.01 C ATOM 59 C GLU A 11 -2.115 -2.563 -5.075 1.00 8.63 C ATOM 60 O GLU A 11 -1.218 -1.978 -5.685 1.00 9.08 O ATOM 61 CB GLU A 11 -0.856 -4.400 -3.925 1.00 9.39 C ATOM 62 CG GLU A 11 -0.944 -3.759 -2.552 1.00 9.30 C ATOM 63 CD GLU A 11 -0.076 -4.463 -1.531 1.00 10.28 C ATOM 64 OE1 GLU A 11 0.931 -5.089 -1.922 1.00 10.59 O ATOM 65 OE2 GLU A 11 -0.406 -4.399 -0.330 1.00 10.48 O ATOM 0 H GLU A 11 -1.424 -4.156 -6.832 1.00 9.37 H new ATOM 0 HA GLU A 11 -2.947 -4.403 -4.354 1.00 9.01 H new ATOM 0 HB2 GLU A 11 -0.798 -5.482 -3.807 1.00 9.39 H new ATOM 0 HB3 GLU A 11 0.069 -4.082 -4.406 1.00 9.39 H new ATOM 0 HG2 GLU A 11 -0.643 -2.714 -2.622 1.00 9.30 H new ATOM 0 HG3 GLU A 11 -1.980 -3.771 -2.214 1.00 9.30 H new ATOM 72 N PHE A 12 -3.182 -1.940 -4.605 1.00 8.06 N ATOM 73 CA PHE A 12 -3.357 -0.511 -4.804 1.00 8.00 C ATOM 74 C PHE A 12 -3.923 0.167 -3.561 1.00 7.20 C ATOM 75 O PHE A 12 -4.647 -0.447 -2.776 1.00 6.96 O ATOM 76 CB PHE A 12 -4.252 -0.255 -6.025 1.00 8.48 C ATOM 77 CG PHE A 12 -5.669 -0.747 -5.887 1.00 7.99 C ATOM 78 CD1 PHE A 12 -5.986 -2.070 -6.141 1.00 8.45 C ATOM 79 CD2 PHE A 12 -6.684 0.122 -5.519 1.00 7.85 C ATOM 80 CE1 PHE A 12 -7.287 -2.521 -6.023 1.00 8.74 C ATOM 81 CE2 PHE A 12 -7.988 -0.323 -5.401 1.00 8.21 C ATOM 82 CZ PHE A 12 -8.289 -1.645 -5.655 1.00 8.93 C ATOM 0 H PHE A 12 -3.934 -2.395 -4.088 1.00 8.06 H new ATOM 0 HA PHE A 12 -2.376 -0.073 -4.989 1.00 8.00 H new ATOM 0 HB2 PHE A 12 -4.273 0.817 -6.224 1.00 8.48 H new ATOM 0 HB3 PHE A 12 -3.800 -0.732 -6.895 1.00 8.48 H new ATOM 0 HD1 PHE A 12 -5.207 -2.758 -6.435 1.00 8.45 H new ATOM 0 HD2 PHE A 12 -6.454 1.159 -5.322 1.00 7.85 H new ATOM 0 HE1 PHE A 12 -7.520 -3.557 -6.218 1.00 8.74 H new ATOM 0 HE2 PHE A 12 -8.770 0.363 -5.110 1.00 8.21 H new ATOM 0 HZ PHE A 12 -9.307 -1.994 -5.566 1.00 8.93 H new ATOM 92 N ILE A 13 -3.582 1.439 -3.391 1.00 7.08 N ATOM 93 CA ILE A 13 -4.042 2.215 -2.246 1.00 6.69 C ATOM 94 C ILE A 13 -5.022 3.287 -2.707 1.00 5.92 C ATOM 95 O ILE A 13 -4.736 4.035 -3.638 1.00 5.90 O ATOM 96 CB ILE A 13 -2.876 2.910 -1.501 1.00 7.52 C ATOM 97 CG1 ILE A 13 -1.509 2.415 -2.004 1.00 8.17 C ATOM 98 CG2 ILE A 13 -3.006 2.697 -0.001 1.00 7.63 C ATOM 99 CD1 ILE A 13 -1.085 1.072 -1.449 1.00 8.66 C ATOM 0 H ILE A 13 -2.985 1.957 -4.036 1.00 7.08 H new ATOM 0 HA ILE A 13 -4.522 1.516 -1.561 1.00 6.69 H new ATOM 0 HB ILE A 13 -2.935 3.978 -1.710 1.00 7.52 H new ATOM 0 HG12 ILE A 13 -1.537 2.352 -3.092 1.00 8.17 H new ATOM 0 HG13 ILE A 13 -0.752 3.156 -1.747 1.00 8.17 H new ATOM 0 HG21 ILE A 13 -2.179 3.191 0.510 1.00 7.63 H new ATOM 0 HG22 ILE A 13 -3.950 3.117 0.346 1.00 7.63 H new ATOM 0 HG23 ILE A 13 -2.982 1.630 0.218 1.00 7.63 H new ATOM 0 HD11 ILE A 13 -0.111 0.801 -1.856 1.00 8.66 H new ATOM 0 HD12 ILE A 13 -1.020 1.131 -0.363 1.00 8.66 H new ATOM 0 HD13 ILE A 13 -1.818 0.315 -1.728 1.00 8.66 H new ATOM 111 N SER A 14 -6.177 3.364 -2.071 1.00 5.60 N ATOM 112 CA SER A 14 -7.168 4.355 -2.459 1.00 5.30 C ATOM 113 C SER A 14 -7.767 5.081 -1.254 1.00 5.64 C ATOM 114 O SER A 14 -8.047 4.477 -0.216 1.00 6.11 O ATOM 115 CB SER A 14 -8.267 3.689 -3.285 1.00 5.40 C ATOM 116 OG SER A 14 -7.707 2.982 -4.378 1.00 5.67 O ATOM 0 H SER A 14 -6.451 2.762 -1.294 1.00 5.60 H new ATOM 0 HA SER A 14 -6.664 5.109 -3.063 1.00 5.30 H new ATOM 0 HB2 SER A 14 -8.839 3.006 -2.657 1.00 5.40 H new ATOM 0 HB3 SER A 14 -8.963 4.444 -3.651 1.00 5.40 H new ATOM 0 HG SER A 14 -7.887 2.024 -4.275 1.00 5.67 H new ATOM 122 N ARG A 15 -7.950 6.386 -1.415 1.00 5.77 N ATOM 123 CA ARG A 15 -8.525 7.236 -0.381 1.00 6.44 C ATOM 124 C ARG A 15 -10.034 7.266 -0.549 1.00 6.84 C ATOM 125 O ARG A 15 -10.532 7.445 -1.665 1.00 7.10 O ATOM 126 CB ARG A 15 -7.987 8.665 -0.493 1.00 6.76 C ATOM 127 CG ARG A 15 -6.514 8.815 -0.161 1.00 7.07 C ATOM 128 CD ARG A 15 -5.985 10.158 -0.645 1.00 7.39 C ATOM 129 NE ARG A 15 -5.181 10.838 0.366 1.00 8.02 N ATOM 130 CZ ARG A 15 -3.856 10.947 0.321 1.00 8.40 C ATOM 131 NH1 ARG A 15 -3.174 10.423 -0.685 1.00 8.31 N ATOM 132 NH2 ARG A 15 -3.211 11.596 1.283 1.00 9.09 N ATOM 0 H ARG A 15 -7.703 6.886 -2.269 1.00 5.77 H new ATOM 0 HA ARG A 15 -8.255 6.832 0.595 1.00 6.44 H new ATOM 0 HB2 ARG A 15 -8.155 9.024 -1.509 1.00 6.76 H new ATOM 0 HB3 ARG A 15 -8.563 9.309 0.172 1.00 6.76 H new ATOM 0 HG2 ARG A 15 -6.369 8.728 0.916 1.00 7.07 H new ATOM 0 HG3 ARG A 15 -5.948 8.007 -0.625 1.00 7.07 H new ATOM 0 HD2 ARG A 15 -5.384 10.007 -1.542 1.00 7.39 H new ATOM 0 HD3 ARG A 15 -6.823 10.795 -0.927 1.00 7.39 H new ATOM 0 HE ARG A 15 -5.667 11.257 1.159 1.00 8.02 H new ATOM 0 HH11 ARG A 15 -3.664 9.932 -1.432 1.00 8.31 H new ATOM 0 HH12 ARG A 15 -2.158 10.511 -0.713 1.00 8.31 H new ATOM 0 HH21 ARG A 15 -3.731 12.011 2.056 1.00 9.09 H new ATOM 0 HH22 ARG A 15 -2.195 11.680 1.249 1.00 9.09 H new ATOM 146 N HIS A 16 -10.766 7.094 0.536 1.00 7.25 N ATOM 147 CA HIS A 16 -12.216 7.105 0.460 1.00 8.00 C ATOM 148 C HIS A 16 -12.847 7.502 1.786 1.00 8.80 C ATOM 149 O HIS A 16 -12.232 7.382 2.846 1.00 9.25 O ATOM 150 CB HIS A 16 -12.744 5.731 0.020 1.00 7.87 C ATOM 151 CG HIS A 16 -12.484 4.622 0.996 1.00 8.55 C ATOM 152 ND1 HIS A 16 -13.224 4.438 2.145 1.00 8.91 N ATOM 153 CD2 HIS A 16 -11.559 3.636 0.991 1.00 9.13 C ATOM 154 CE1 HIS A 16 -12.769 3.390 2.797 1.00 9.65 C ATOM 155 NE2 HIS A 16 -11.760 2.886 2.121 1.00 9.79 N ATOM 0 H HIS A 16 -10.386 6.946 1.471 1.00 7.25 H new ATOM 0 HA HIS A 16 -12.496 7.852 -0.283 1.00 8.00 H new ATOM 0 HB2 HIS A 16 -13.818 5.806 -0.148 1.00 7.87 H new ATOM 0 HB3 HIS A 16 -12.290 5.470 -0.936 1.00 7.87 H new ATOM 0 HD1 HIS A 16 -14.004 5.024 2.443 1.00 8.91 H new ATOM 0 HD2 HIS A 16 -10.803 3.470 0.238 1.00 9.13 H new ATOM 0 HE1 HIS A 16 -13.158 3.008 3.729 1.00 9.65 H new ATOM 0 HE2 HIS A 16 -11.214 2.068 2.394 1.00 9.79 H new ATOM 164 N ASN A 17 -14.085 7.959 1.701 1.00 9.21 N ATOM 165 CA ASN A 17 -14.863 8.359 2.864 1.00 10.20 C ATOM 166 C ASN A 17 -15.140 7.131 3.733 1.00 10.40 C ATOM 167 O ASN A 17 -15.127 6.005 3.227 1.00 10.47 O ATOM 168 CB ASN A 17 -16.175 9.002 2.393 1.00 11.03 C ATOM 169 CG ASN A 17 -17.107 9.379 3.526 1.00 11.85 C ATOM 170 OD1 ASN A 17 -17.899 8.562 3.988 1.00 11.82 O ATOM 171 ND2 ASN A 17 -17.027 10.620 3.973 1.00 12.69 N ATOM 0 H ASN A 17 -14.583 8.064 0.817 1.00 9.21 H new ATOM 0 HA ASN A 17 -14.310 9.086 3.458 1.00 10.20 H new ATOM 0 HB2 ASN A 17 -15.944 9.895 1.811 1.00 11.03 H new ATOM 0 HB3 ASN A 17 -16.689 8.311 1.725 1.00 11.03 H new ATOM 0 HD21 ASN A 17 -17.637 10.930 4.729 1.00 12.69 H new ATOM 0 HD22 ASN A 17 -16.355 11.268 3.562 1.00 12.69 H new ATOM 178 N ILE A 18 -15.381 7.342 5.024 1.00 10.70 N ATOM 179 CA ILE A 18 -15.645 6.242 5.960 1.00 11.18 C ATOM 180 C ILE A 18 -16.784 5.335 5.488 1.00 11.08 C ATOM 181 O ILE A 18 -16.782 4.136 5.761 1.00 11.25 O ATOM 182 CB ILE A 18 -15.976 6.758 7.377 1.00 12.00 C ATOM 183 CG1 ILE A 18 -17.082 7.819 7.324 1.00 12.63 C ATOM 184 CG2 ILE A 18 -14.728 7.314 8.045 1.00 12.34 C ATOM 185 CD1 ILE A 18 -17.713 8.104 8.670 1.00 13.58 C ATOM 0 H ILE A 18 -15.400 8.268 5.452 1.00 10.70 H new ATOM 0 HA ILE A 18 -14.723 5.661 5.993 1.00 11.18 H new ATOM 0 HB ILE A 18 -16.340 5.920 7.972 1.00 12.00 H new ATOM 0 HG12 ILE A 18 -16.668 8.744 6.923 1.00 12.63 H new ATOM 0 HG13 ILE A 18 -17.857 7.490 6.631 1.00 12.63 H new ATOM 0 HG21 ILE A 18 -14.979 7.673 9.043 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -13.975 6.529 8.121 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -14.334 8.138 7.451 1.00 12.34 H new ATOM 0 HD11 ILE A 18 -18.486 8.864 8.556 1.00 13.58 H new ATOM 0 HD12 ILE A 18 -18.158 7.190 9.064 1.00 13.58 H new ATOM 0 HD13 ILE A 18 -16.950 8.464 9.361 1.00 13.58 H new ATOM 197 N GLU A 19 -17.745 5.911 4.771 1.00 10.98 N ATOM 198 CA GLU A 19 -18.890 5.156 4.269 1.00 11.15 C ATOM 199 C GLU A 19 -18.513 4.278 3.076 1.00 10.09 C ATOM 200 O GLU A 19 -19.252 3.365 2.706 1.00 10.09 O ATOM 201 CB GLU A 19 -20.015 6.114 3.886 1.00 12.03 C ATOM 202 CG GLU A 19 -20.570 6.894 5.064 1.00 13.15 C ATOM 203 CD GLU A 19 -21.414 8.073 4.635 1.00 13.37 C ATOM 204 OE1 GLU A 19 -22.218 7.923 3.692 1.00 13.85 O ATOM 205 OE2 GLU A 19 -21.281 9.156 5.239 1.00 13.50 O ATOM 0 H GLU A 19 -17.754 6.901 4.524 1.00 10.98 H new ATOM 0 HA GLU A 19 -19.230 4.495 5.066 1.00 11.15 H new ATOM 0 HB2 GLU A 19 -19.646 6.815 3.137 1.00 12.03 H new ATOM 0 HB3 GLU A 19 -20.822 5.547 3.422 1.00 12.03 H new ATOM 0 HG2 GLU A 19 -21.170 6.229 5.685 1.00 13.15 H new ATOM 0 HG3 GLU A 19 -19.745 7.248 5.682 1.00 13.15 H new ATOM 212 N GLY A 20 -17.370 4.559 2.464 1.00 9.38 N ATOM 213 CA GLY A 20 -16.928 3.761 1.337 1.00 8.49 C ATOM 214 C GLY A 20 -16.744 4.561 0.064 1.00 8.41 C ATOM 215 O GLY A 20 -16.050 4.113 -0.843 1.00 8.52 O ATOM 0 H GLY A 20 -16.744 5.321 2.726 1.00 9.38 H new ATOM 0 HA2 GLY A 20 -15.985 3.278 1.592 1.00 8.49 H new ATOM 0 HA3 GLY A 20 -17.654 2.968 1.157 1.00 8.49 H new ATOM 219 N ILE A 21 -17.361 5.738 0.000 1.00 8.47 N ATOM 220 CA ILE A 21 -17.269 6.605 -1.178 1.00 8.70 C ATOM 221 C ILE A 21 -15.814 6.947 -1.493 1.00 8.24 C ATOM 222 O ILE A 21 -15.166 7.683 -0.746 1.00 8.70 O ATOM 223 CB ILE A 21 -18.061 7.915 -0.974 1.00 9.49 C ATOM 224 CG1 ILE A 21 -19.534 7.614 -0.687 1.00 10.11 C ATOM 225 CG2 ILE A 21 -17.928 8.820 -2.193 1.00 9.59 C ATOM 226 CD1 ILE A 21 -20.283 7.034 -1.869 1.00 10.74 C ATOM 0 H ILE A 21 -17.934 6.118 0.754 1.00 8.47 H new ATOM 0 HA ILE A 21 -17.701 6.055 -2.014 1.00 8.70 H new ATOM 0 HB ILE A 21 -17.642 8.437 -0.113 1.00 9.49 H new ATOM 0 HG12 ILE A 21 -19.596 6.916 0.148 1.00 10.11 H new ATOM 0 HG13 ILE A 21 -20.028 8.533 -0.372 1.00 10.11 H new ATOM 0 HG21 ILE A 21 -18.493 9.737 -2.029 1.00 9.59 H new ATOM 0 HG22 ILE A 21 -16.878 9.065 -2.352 1.00 9.59 H new ATOM 0 HG23 ILE A 21 -18.318 8.306 -3.072 1.00 9.59 H new ATOM 0 HD11 ILE A 21 -21.319 6.848 -1.587 1.00 10.74 H new ATOM 0 HD12 ILE A 21 -20.254 7.739 -2.700 1.00 10.74 H new ATOM 0 HD13 ILE A 21 -19.815 6.097 -2.172 1.00 10.74 H new ATOM 238 N PHE A 22 -15.306 6.407 -2.594 1.00 7.56 N ATOM 239 CA PHE A 22 -13.924 6.649 -3.001 1.00 7.35 C ATOM 240 C PHE A 22 -13.735 8.071 -3.514 1.00 7.07 C ATOM 241 O PHE A 22 -14.580 8.602 -4.236 1.00 7.53 O ATOM 242 CB PHE A 22 -13.493 5.645 -4.071 1.00 7.50 C ATOM 243 CG PHE A 22 -13.305 4.249 -3.547 1.00 8.14 C ATOM 244 CD1 PHE A 22 -14.363 3.355 -3.513 1.00 8.51 C ATOM 245 CD2 PHE A 22 -12.066 3.832 -3.089 1.00 8.60 C ATOM 246 CE1 PHE A 22 -14.189 2.073 -3.030 1.00 9.27 C ATOM 247 CE2 PHE A 22 -11.886 2.549 -2.605 1.00 9.42 C ATOM 248 CZ PHE A 22 -12.949 1.669 -2.576 1.00 9.73 C ATOM 0 H PHE A 22 -15.829 5.798 -3.223 1.00 7.56 H new ATOM 0 HA PHE A 22 -13.296 6.520 -2.120 1.00 7.35 H new ATOM 0 HB2 PHE A 22 -14.241 5.629 -4.864 1.00 7.50 H new ATOM 0 HB3 PHE A 22 -12.560 5.984 -4.520 1.00 7.50 H new ATOM 0 HD1 PHE A 22 -15.335 3.664 -3.868 1.00 8.51 H new ATOM 0 HD2 PHE A 22 -11.231 4.517 -3.110 1.00 8.60 H new ATOM 0 HE1 PHE A 22 -15.022 1.387 -3.007 1.00 9.27 H new ATOM 0 HE2 PHE A 22 -10.915 2.236 -2.250 1.00 9.42 H new ATOM 0 HZ PHE A 22 -12.811 0.666 -2.199 1.00 9.73 H new ATOM 258 N THR A 23 -12.622 8.679 -3.129 1.00 6.58 N ATOM 259 CA THR A 23 -12.302 10.041 -3.534 1.00 6.57 C ATOM 260 C THR A 23 -11.050 10.069 -4.412 1.00 5.83 C ATOM 261 O THR A 23 -10.955 10.848 -5.363 1.00 5.91 O ATOM 262 CB THR A 23 -12.090 10.923 -2.295 1.00 7.05 C ATOM 263 OG1 THR A 23 -13.046 10.563 -1.287 1.00 7.33 O ATOM 264 CG2 THR A 23 -12.238 12.396 -2.642 1.00 7.74 C ATOM 0 H THR A 23 -11.919 8.245 -2.531 1.00 6.58 H new ATOM 0 HA THR A 23 -13.139 10.430 -4.114 1.00 6.57 H new ATOM 0 HB THR A 23 -11.079 10.762 -1.922 1.00 7.05 H new ATOM 0 HG1 THR A 23 -12.912 11.123 -0.494 1.00 7.33 H new ATOM 0 HG21 THR A 23 -12.083 12.998 -1.747 1.00 7.74 H new ATOM 0 HG22 THR A 23 -11.499 12.668 -3.395 1.00 7.74 H new ATOM 0 HG23 THR A 23 -13.239 12.579 -3.033 1.00 7.74 H new ATOM 272 N PHE A 24 -10.090 9.211 -4.091 1.00 5.35 N ATOM 273 CA PHE A 24 -8.851 9.120 -4.850 1.00 4.99 C ATOM 274 C PHE A 24 -8.458 7.660 -5.002 1.00 4.39 C ATOM 275 O PHE A 24 -8.095 7.007 -4.026 1.00 4.25 O ATOM 276 CB PHE A 24 -7.726 9.905 -4.161 1.00 5.47 C ATOM 277 CG PHE A 24 -6.365 9.690 -4.771 1.00 5.80 C ATOM 278 CD1 PHE A 24 -6.168 9.827 -6.136 1.00 5.92 C ATOM 279 CD2 PHE A 24 -5.281 9.352 -3.975 1.00 6.29 C ATOM 280 CE1 PHE A 24 -4.919 9.633 -6.694 1.00 6.43 C ATOM 281 CE2 PHE A 24 -4.029 9.156 -4.527 1.00 6.89 C ATOM 282 CZ PHE A 24 -3.849 9.297 -5.888 1.00 6.92 C ATOM 0 H PHE A 24 -10.148 8.564 -3.304 1.00 5.35 H new ATOM 0 HA PHE A 24 -9.010 9.558 -5.835 1.00 4.99 H new ATOM 0 HB2 PHE A 24 -7.965 10.968 -4.196 1.00 5.47 H new ATOM 0 HB3 PHE A 24 -7.690 9.621 -3.109 1.00 5.47 H new ATOM 0 HD1 PHE A 24 -7.001 10.089 -6.771 1.00 5.92 H new ATOM 0 HD2 PHE A 24 -5.417 9.240 -2.909 1.00 6.29 H new ATOM 0 HE1 PHE A 24 -4.780 9.744 -7.759 1.00 6.43 H new ATOM 0 HE2 PHE A 24 -3.194 8.893 -3.895 1.00 6.89 H new ATOM 0 HZ PHE A 24 -2.872 9.145 -6.323 1.00 6.92 H new ATOM 292 N VAL A 25 -8.547 7.150 -6.218 1.00 4.43 N ATOM 293 CA VAL A 25 -8.214 5.762 -6.484 1.00 4.39 C ATOM 294 C VAL A 25 -6.791 5.640 -7.019 1.00 4.75 C ATOM 295 O VAL A 25 -6.276 6.559 -7.658 1.00 5.12 O ATOM 296 CB VAL A 25 -9.209 5.141 -7.493 1.00 5.05 C ATOM 297 CG1 VAL A 25 -9.078 3.625 -7.531 1.00 5.18 C ATOM 298 CG2 VAL A 25 -10.635 5.539 -7.148 1.00 6.02 C ATOM 0 H VAL A 25 -8.848 7.677 -7.038 1.00 4.43 H new ATOM 0 HA VAL A 25 -8.284 5.217 -5.543 1.00 4.39 H new ATOM 0 HB VAL A 25 -8.967 5.527 -8.483 1.00 5.05 H new ATOM 0 HG11 VAL A 25 -9.789 3.216 -8.249 1.00 5.18 H new ATOM 0 HG12 VAL A 25 -8.065 3.355 -7.830 1.00 5.18 H new ATOM 0 HG13 VAL A 25 -9.285 3.217 -6.542 1.00 5.18 H new ATOM 0 HG21 VAL A 25 -11.321 5.093 -7.868 1.00 6.02 H new ATOM 0 HG22 VAL A 25 -10.879 5.185 -6.147 1.00 6.02 H new ATOM 0 HG23 VAL A 25 -10.728 6.624 -7.182 1.00 6.02 H new ATOM 308 N ASP A 26 -6.164 4.508 -6.732 1.00 5.07 N ATOM 309 CA ASP A 26 -4.801 4.230 -7.177 1.00 5.85 C ATOM 310 C ASP A 26 -4.774 4.030 -8.691 1.00 6.77 C ATOM 311 O ASP A 26 -5.820 3.961 -9.331 1.00 6.87 O ATOM 312 CB ASP A 26 -4.283 2.971 -6.473 1.00 5.75 C ATOM 313 CG ASP A 26 -2.769 2.839 -6.477 1.00 6.66 C ATOM 314 OD1 ASP A 26 -2.197 2.487 -7.530 1.00 7.31 O ATOM 315 OD2 ASP A 26 -2.151 3.050 -5.417 1.00 6.95 O ATOM 0 H ASP A 26 -6.583 3.756 -6.185 1.00 5.07 H new ATOM 0 HA ASP A 26 -4.160 5.075 -6.925 1.00 5.85 H new ATOM 0 HB2 ASP A 26 -4.634 2.974 -5.441 1.00 5.75 H new ATOM 0 HB3 ASP A 26 -4.715 2.094 -6.955 1.00 5.75 H new ATOM 320 N HIS A 27 -3.583 3.920 -9.256 1.00 7.68 N ATOM 321 CA HIS A 27 -3.430 3.722 -10.694 1.00 8.77 C ATOM 322 C HIS A 27 -3.391 2.233 -11.009 1.00 9.47 C ATOM 323 O HIS A 27 -3.677 1.812 -12.130 1.00 9.87 O ATOM 324 CB HIS A 27 -2.144 4.385 -11.209 1.00 9.42 C ATOM 325 CG HIS A 27 -2.175 5.885 -11.206 1.00 10.21 C ATOM 326 ND1 HIS A 27 -1.811 6.649 -12.296 1.00 10.91 N ATOM 327 CD2 HIS A 27 -2.503 6.763 -10.229 1.00 10.62 C ATOM 328 CE1 HIS A 27 -1.911 7.928 -11.987 1.00 11.67 C ATOM 329 NE2 HIS A 27 -2.330 8.024 -10.740 1.00 11.51 N ATOM 0 H HIS A 27 -2.703 3.964 -8.742 1.00 7.68 H new ATOM 0 HA HIS A 27 -4.283 4.184 -11.192 1.00 8.77 H new ATOM 0 HB2 HIS A 27 -1.307 4.050 -10.597 1.00 9.42 H new ATOM 0 HB3 HIS A 27 -1.954 4.040 -12.225 1.00 9.42 H new ATOM 0 HD2 HIS A 27 -2.839 6.516 -9.233 1.00 10.62 H new ATOM 0 HE1 HIS A 27 -1.688 8.756 -12.644 1.00 11.67 H new ATOM 0 HE2 HIS A 27 -2.498 8.895 -10.237 1.00 11.51 H new ATOM 338 N ARG A 28 -3.056 1.440 -9.997 1.00 9.78 N ATOM 339 CA ARG A 28 -2.951 -0.008 -10.144 1.00 10.59 C ATOM 340 C ARG A 28 -4.305 -0.697 -9.989 1.00 11.06 C ATOM 341 O ARG A 28 -4.387 -1.925 -9.988 1.00 11.12 O ATOM 342 CB ARG A 28 -1.965 -0.563 -9.118 1.00 10.74 C ATOM 343 CG ARG A 28 -0.551 -0.041 -9.298 1.00 11.22 C ATOM 344 CD ARG A 28 0.266 -0.210 -8.032 1.00 11.69 C ATOM 345 NE ARG A 28 -0.116 0.750 -6.998 1.00 11.31 N ATOM 346 CZ ARG A 28 0.483 0.838 -5.815 1.00 11.44 C ATOM 347 NH1 ARG A 28 1.481 0.010 -5.512 1.00 11.91 N ATOM 348 NH2 ARG A 28 0.082 1.744 -4.934 1.00 11.23 N ATOM 0 H ARG A 28 -2.851 1.779 -9.057 1.00 9.78 H new ATOM 0 HA ARG A 28 -2.590 -0.213 -11.152 1.00 10.59 H new ATOM 0 HB2 ARG A 28 -2.313 -0.310 -8.117 1.00 10.74 H new ATOM 0 HB3 ARG A 28 -1.954 -1.651 -9.187 1.00 10.74 H new ATOM 0 HG2 ARG A 28 -0.067 -0.571 -10.118 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -0.583 1.013 -9.574 1.00 11.22 H new ATOM 0 HD2 ARG A 28 0.137 -1.223 -7.651 1.00 11.69 H new ATOM 0 HD3 ARG A 28 1.324 -0.089 -8.265 1.00 11.69 H new ATOM 0 HE ARG A 28 -0.886 1.389 -7.196 1.00 11.31 H new ATOM 0 HH11 ARG A 28 1.785 -0.691 -6.188 1.00 11.91 H new ATOM 0 HH12 ARG A 28 1.941 0.077 -4.604 1.00 11.91 H new ATOM 0 HH21 ARG A 28 -0.687 2.374 -5.164 1.00 11.23 H new ATOM 0 HH22 ARG A 28 0.542 1.811 -4.026 1.00 11.23 H new ATOM 362 N CYS A 29 -5.362 0.094 -9.868 1.00 11.56 N ATOM 363 CA CYS A 29 -6.711 -0.445 -9.722 1.00 12.23 C ATOM 364 C CYS A 29 -7.077 -1.301 -10.932 1.00 12.88 C ATOM 365 O CYS A 29 -7.624 -2.400 -10.799 1.00 12.99 O ATOM 366 CB CYS A 29 -7.713 0.699 -9.562 1.00 12.60 C ATOM 367 SG CYS A 29 -7.474 2.045 -10.747 1.00 12.95 S ATOM 0 H CYS A 29 -5.313 1.113 -9.868 1.00 11.56 H new ATOM 0 HA CYS A 29 -6.744 -1.074 -8.832 1.00 12.23 H new ATOM 0 HB2 CYS A 29 -8.723 0.304 -9.673 1.00 12.60 H new ATOM 0 HB3 CYS A 29 -7.636 1.099 -8.551 1.00 12.60 H new ATOM 0 HG CYS A 29 -6.514 2.820 -10.336 1.00 12.95 H new ATOM 373 N VAL A 30 -6.731 -0.801 -12.112 1.00 13.46 N ATOM 374 CA VAL A 30 -7.008 -1.492 -13.362 1.00 14.27 C ATOM 375 C VAL A 30 -6.205 -2.783 -13.463 1.00 14.13 C ATOM 376 O VAL A 30 -6.638 -3.751 -14.083 1.00 14.19 O ATOM 377 CB VAL A 30 -6.675 -0.604 -14.578 1.00 15.19 C ATOM 378 CG1 VAL A 30 -7.312 -1.163 -15.840 1.00 16.15 C ATOM 379 CG2 VAL A 30 -7.113 0.832 -14.336 1.00 15.20 C ATOM 0 H VAL A 30 -6.252 0.092 -12.228 1.00 13.46 H new ATOM 0 HA VAL A 30 -8.073 -1.724 -13.367 1.00 14.27 H new ATOM 0 HB VAL A 30 -5.594 -0.605 -14.716 1.00 15.19 H new ATOM 0 HG11 VAL A 30 -7.065 -0.522 -16.687 1.00 16.15 H new ATOM 0 HG12 VAL A 30 -6.934 -2.169 -16.024 1.00 16.15 H new ATOM 0 HG13 VAL A 30 -8.394 -1.199 -15.716 1.00 16.15 H new ATOM 0 HG21 VAL A 30 -6.868 1.439 -15.207 1.00 15.20 H new ATOM 0 HG22 VAL A 30 -8.189 0.860 -14.165 1.00 15.20 H new ATOM 0 HG23 VAL A 30 -6.597 1.227 -13.461 1.00 15.20 H new ATOM 389 N ALA A 31 -5.047 -2.801 -12.824 1.00 14.12 N ATOM 390 CA ALA A 31 -4.174 -3.966 -12.855 1.00 14.20 C ATOM 391 C ALA A 31 -4.540 -4.973 -11.771 1.00 14.41 C ATOM 392 O ALA A 31 -3.981 -6.068 -11.717 1.00 15.07 O ATOM 393 CB ALA A 31 -2.728 -3.533 -12.701 1.00 14.19 C ATOM 0 H ALA A 31 -4.688 -2.020 -12.275 1.00 14.12 H new ATOM 0 HA ALA A 31 -4.305 -4.457 -13.819 1.00 14.20 H new ATOM 0 HB1 ALA A 31 -2.081 -4.410 -12.725 1.00 14.19 H new ATOM 0 HB2 ALA A 31 -2.460 -2.862 -13.517 1.00 14.19 H new ATOM 0 HB3 ALA A 31 -2.602 -3.016 -11.750 1.00 14.19 H new ATOM 399 N THR A 32 -5.474 -4.603 -10.911 1.00 13.95 N ATOM 400 CA THR A 32 -5.892 -5.483 -9.833 1.00 14.24 C ATOM 401 C THR A 32 -7.306 -6.015 -10.066 1.00 14.03 C ATOM 402 O THR A 32 -7.522 -7.227 -10.118 1.00 14.20 O ATOM 403 CB THR A 32 -5.829 -4.763 -8.472 1.00 14.27 C ATOM 404 OG1 THR A 32 -4.559 -4.112 -8.322 1.00 14.90 O ATOM 405 CG2 THR A 32 -6.035 -5.744 -7.326 1.00 14.04 C ATOM 0 H THR A 32 -5.955 -3.704 -10.938 1.00 13.95 H new ATOM 0 HA THR A 32 -5.199 -6.325 -9.820 1.00 14.24 H new ATOM 0 HB THR A 32 -6.628 -4.022 -8.443 1.00 14.27 H new ATOM 0 HG1 THR A 32 -4.515 -3.339 -8.922 1.00 14.90 H new ATOM 0 HG21 THR A 32 -5.986 -5.210 -6.377 1.00 14.04 H new ATOM 0 HG22 THR A 32 -7.011 -6.219 -7.425 1.00 14.04 H new ATOM 0 HG23 THR A 32 -5.256 -6.506 -7.355 1.00 14.04 H new ATOM 413 N VAL A 33 -8.268 -5.111 -10.219 1.00 13.80 N ATOM 414 CA VAL A 33 -9.654 -5.513 -10.436 1.00 13.77 C ATOM 415 C VAL A 33 -10.139 -5.135 -11.832 1.00 13.68 C ATOM 416 O VAL A 33 -11.128 -5.677 -12.321 1.00 13.84 O ATOM 417 CB VAL A 33 -10.602 -4.899 -9.383 1.00 13.66 C ATOM 418 CG1 VAL A 33 -10.401 -5.570 -8.034 1.00 13.80 C ATOM 419 CG2 VAL A 33 -10.393 -3.396 -9.270 1.00 13.68 C ATOM 0 H VAL A 33 -8.116 -4.103 -10.197 1.00 13.80 H new ATOM 0 HA VAL A 33 -9.675 -6.598 -10.336 1.00 13.77 H new ATOM 0 HB VAL A 33 -11.628 -5.072 -9.708 1.00 13.66 H new ATOM 0 HG11 VAL A 33 -11.076 -5.126 -7.303 1.00 13.80 H new ATOM 0 HG12 VAL A 33 -10.612 -6.636 -8.123 1.00 13.80 H new ATOM 0 HG13 VAL A 33 -9.370 -5.430 -7.708 1.00 13.80 H new ATOM 0 HG21 VAL A 33 -11.073 -2.989 -8.522 1.00 13.68 H new ATOM 0 HG22 VAL A 33 -9.364 -3.193 -8.974 1.00 13.68 H new ATOM 0 HG23 VAL A 33 -10.592 -2.928 -10.234 1.00 13.68 H new ATOM 429 N GLY A 34 -9.451 -4.195 -12.464 1.00 13.56 N ATOM 430 CA GLY A 34 -9.835 -3.774 -13.798 1.00 13.65 C ATOM 431 C GLY A 34 -10.735 -2.559 -13.781 1.00 13.54 C ATOM 432 O GLY A 34 -11.027 -1.979 -14.827 1.00 13.85 O ATOM 0 H GLY A 34 -8.636 -3.717 -12.079 1.00 13.56 H new ATOM 0 HA2 GLY A 34 -8.939 -3.552 -14.378 1.00 13.65 H new ATOM 0 HA3 GLY A 34 -10.346 -4.594 -14.302 1.00 13.65 H new ATOM 436 N TYR A 35 -11.179 -2.181 -12.592 1.00 13.21 N ATOM 437 CA TYR A 35 -12.045 -1.023 -12.427 1.00 13.20 C ATOM 438 C TYR A 35 -11.250 0.261 -12.598 1.00 12.81 C ATOM 439 O TYR A 35 -10.130 0.374 -12.096 1.00 12.67 O ATOM 440 CB TYR A 35 -12.694 -1.028 -11.042 1.00 13.25 C ATOM 441 CG TYR A 35 -14.020 -1.748 -10.974 1.00 15.79 C ATOM 442 CD1 TYR A 35 -15.041 -1.454 -11.869 1.00 16.05 C ATOM 443 CD2 TYR A 35 -14.255 -2.711 -10.004 1.00 16.35 C ATOM 444 CE1 TYR A 35 -16.260 -2.099 -11.796 1.00 16.85 C ATOM 445 CE2 TYR A 35 -15.469 -3.361 -9.928 1.00 17.14 C ATOM 446 CZ TYR A 35 -16.466 -3.053 -10.824 1.00 15.43 C ATOM 447 OH TYR A 35 -17.678 -3.696 -10.738 1.00 18.28 O ATOM 0 H TYR A 35 -10.952 -2.663 -11.722 1.00 13.21 H new ATOM 0 HA TYR A 35 -12.823 -1.074 -13.189 1.00 13.20 H new ATOM 0 HB2 TYR A 35 -12.007 -1.491 -10.334 1.00 13.25 H new ATOM 0 HB3 TYR A 35 -12.838 0.003 -10.718 1.00 13.25 H new ATOM 0 HD1 TYR A 35 -14.879 -0.709 -12.634 1.00 16.05 H new ATOM 0 HD2 TYR A 35 -13.476 -2.956 -9.298 1.00 16.35 H new ATOM 0 HE1 TYR A 35 -17.046 -1.857 -12.496 1.00 16.85 H new ATOM 0 HE2 TYR A 35 -15.636 -4.109 -9.167 1.00 17.14 H new ATOM 0 HH TYR A 35 -17.932 -4.035 -11.622 1.00 18.28 H new ATOM 457 N GLN A 36 -11.817 1.214 -13.319 1.00 12.79 N ATOM 458 CA GLN A 36 -11.163 2.496 -13.527 1.00 12.57 C ATOM 459 C GLN A 36 -11.386 3.376 -12.301 1.00 11.54 C ATOM 460 O GLN A 36 -12.375 3.206 -11.590 1.00 11.22 O ATOM 461 CB GLN A 36 -11.708 3.196 -14.778 1.00 13.45 C ATOM 462 CG GLN A 36 -11.588 2.386 -16.062 1.00 14.56 C ATOM 463 CD GLN A 36 -10.222 1.756 -16.246 1.00 15.07 C ATOM 464 OE1 GLN A 36 -10.105 0.492 -15.884 1.00 15.22 O flip ATOM 465 NE2 GLN A 36 -9.286 2.395 -16.727 1.00 15.48 N flip ATOM 0 H GLN A 36 -12.728 1.125 -13.770 1.00 12.79 H new ATOM 0 HA GLN A 36 -10.096 2.326 -13.674 1.00 12.57 H new ATOM 0 HB2 GLN A 36 -12.758 3.439 -14.614 1.00 13.45 H new ATOM 0 HB3 GLN A 36 -11.179 4.140 -14.909 1.00 13.45 H new ATOM 0 HG2 GLN A 36 -12.345 1.602 -16.061 1.00 14.56 H new ATOM 0 HG3 GLN A 36 -11.800 3.033 -16.913 1.00 14.56 H new ATOM 0 HE21 GLN A 36 -9.418 3.371 -16.994 1.00 15.48 H new ATOM 0 HE22 GLN A 36 -8.378 1.949 -16.859 1.00 15.48 H new ATOM 474 N PRO A 37 -10.478 4.327 -12.033 1.00 11.14 N ATOM 475 CA PRO A 37 -10.594 5.227 -10.881 1.00 10.29 C ATOM 476 C PRO A 37 -11.940 5.950 -10.830 1.00 10.51 C ATOM 477 O PRO A 37 -12.534 6.107 -9.765 1.00 10.47 O ATOM 478 CB PRO A 37 -9.460 6.228 -11.094 1.00 10.16 C ATOM 479 CG PRO A 37 -8.464 5.499 -11.925 1.00 10.93 C ATOM 480 CD PRO A 37 -9.259 4.591 -12.819 1.00 11.63 C ATOM 0 HA PRO A 37 -10.532 4.683 -9.938 1.00 10.29 H new ATOM 0 HB2 PRO A 37 -9.815 7.127 -11.598 1.00 10.16 H new ATOM 0 HB3 PRO A 37 -9.028 6.545 -10.145 1.00 10.16 H new ATOM 0 HG2 PRO A 37 -7.861 6.193 -12.510 1.00 10.93 H new ATOM 0 HG3 PRO A 37 -7.777 4.928 -11.300 1.00 10.93 H new ATOM 0 HD2 PRO A 37 -9.490 5.066 -13.773 1.00 11.63 H new ATOM 0 HD3 PRO A 37 -8.718 3.672 -13.043 1.00 11.63 H new ATOM 488 N GLN A 38 -12.433 6.354 -11.994 1.00 10.92 N ATOM 489 CA GLN A 38 -13.701 7.071 -12.090 1.00 11.42 C ATOM 490 C GLN A 38 -14.891 6.155 -11.800 1.00 11.86 C ATOM 491 O GLN A 38 -16.001 6.630 -11.573 1.00 12.08 O ATOM 492 CB GLN A 38 -13.858 7.704 -13.474 1.00 12.31 C ATOM 493 CG GLN A 38 -12.673 8.564 -13.890 1.00 12.40 C ATOM 494 CD GLN A 38 -11.680 7.809 -14.751 1.00 12.97 C ATOM 495 OE1 GLN A 38 -11.578 6.584 -14.680 1.00 13.31 O ATOM 496 NE2 GLN A 38 -10.937 8.535 -15.564 1.00 13.23 N ATOM 0 H GLN A 38 -11.972 6.197 -12.890 1.00 10.92 H new ATOM 0 HA GLN A 38 -13.687 7.857 -11.335 1.00 11.42 H new ATOM 0 HB2 GLN A 38 -13.999 6.914 -14.212 1.00 12.31 H new ATOM 0 HB3 GLN A 38 -14.761 8.315 -13.484 1.00 12.31 H new ATOM 0 HG2 GLN A 38 -13.035 9.435 -14.437 1.00 12.40 H new ATOM 0 HG3 GLN A 38 -12.167 8.935 -12.999 1.00 12.40 H new ATOM 0 HE21 GLN A 38 -11.053 9.548 -15.593 1.00 13.23 H new ATOM 0 HE22 GLN A 38 -10.247 8.083 -16.164 1.00 13.23 H new ATOM 505 N GLU A 39 -14.664 4.849 -11.808 1.00 12.10 N ATOM 506 CA GLU A 39 -15.733 3.894 -11.536 1.00 12.60 C ATOM 507 C GLU A 39 -15.934 3.737 -10.035 1.00 12.14 C ATOM 508 O GLU A 39 -16.989 3.292 -9.581 1.00 12.03 O ATOM 509 CB GLU A 39 -15.422 2.532 -12.159 1.00 13.06 C ATOM 510 CG GLU A 39 -15.314 2.562 -13.674 1.00 14.17 C ATOM 511 CD GLU A 39 -15.319 1.176 -14.280 1.00 16.63 C ATOM 512 OE1 GLU A 39 -16.421 0.609 -14.460 1.00 17.34 O ATOM 513 OE2 GLU A 39 -14.230 0.648 -14.580 1.00 16.43 O ATOM 0 H GLU A 39 -13.755 4.427 -11.999 1.00 12.10 H new ATOM 0 HA GLU A 39 -16.649 4.280 -11.983 1.00 12.60 H new ATOM 0 HB2 GLU A 39 -14.486 2.158 -11.744 1.00 13.06 H new ATOM 0 HB3 GLU A 39 -16.201 1.826 -11.873 1.00 13.06 H new ATOM 0 HG2 GLU A 39 -16.144 3.138 -14.083 1.00 14.17 H new ATOM 0 HG3 GLU A 39 -14.397 3.077 -13.960 1.00 14.17 H new ATOM 520 N LEU A 40 -14.909 4.102 -9.274 1.00 12.04 N ATOM 521 CA LEU A 40 -14.957 4.011 -7.822 1.00 11.75 C ATOM 522 C LEU A 40 -15.366 5.348 -7.217 1.00 11.42 C ATOM 523 O LEU A 40 -15.886 5.407 -6.102 1.00 11.04 O ATOM 524 CB LEU A 40 -13.590 3.596 -7.262 1.00 11.89 C ATOM 525 CG LEU A 40 -13.277 2.094 -7.278 1.00 12.41 C ATOM 526 CD1 LEU A 40 -14.418 1.297 -6.664 1.00 12.70 C ATOM 527 CD2 LEU A 40 -12.983 1.616 -8.692 1.00 13.25 C ATOM 0 H LEU A 40 -14.030 4.466 -9.642 1.00 12.04 H new ATOM 0 HA LEU A 40 -15.696 3.255 -7.556 1.00 11.75 H new ATOM 0 HB2 LEU A 40 -12.816 4.113 -7.830 1.00 11.89 H new ATOM 0 HB3 LEU A 40 -13.520 3.949 -6.233 1.00 11.89 H new ATOM 0 HG LEU A 40 -12.385 1.929 -6.674 1.00 12.41 H new ATOM 0 HD11 LEU A 40 -14.173 0.235 -6.686 1.00 12.70 H new ATOM 0 HD12 LEU A 40 -14.568 1.613 -5.632 1.00 12.70 H new ATOM 0 HD13 LEU A 40 -15.331 1.471 -7.233 1.00 12.70 H new ATOM 0 HD21 LEU A 40 -12.764 0.548 -8.677 1.00 13.25 H new ATOM 0 HD22 LEU A 40 -13.850 1.800 -9.326 1.00 13.25 H new ATOM 0 HD23 LEU A 40 -12.123 2.157 -9.088 1.00 13.25 H new ATOM 539 N LEU A 41 -15.123 6.421 -7.964 1.00 11.77 N ATOM 540 CA LEU A 41 -15.452 7.768 -7.512 1.00 11.76 C ATOM 541 C LEU A 41 -16.948 7.912 -7.267 1.00 12.25 C ATOM 542 O LEU A 41 -17.762 7.664 -8.158 1.00 12.72 O ATOM 543 CB LEU A 41 -14.990 8.805 -8.541 1.00 12.25 C ATOM 544 CG LEU A 41 -13.480 8.868 -8.762 1.00 12.23 C ATOM 545 CD1 LEU A 41 -13.134 9.948 -9.771 1.00 12.99 C ATOM 546 CD2 LEU A 41 -12.758 9.115 -7.448 1.00 11.79 C ATOM 0 H LEU A 41 -14.697 6.382 -8.890 1.00 11.77 H new ATOM 0 HA LEU A 41 -14.930 7.943 -6.571 1.00 11.76 H new ATOM 0 HB2 LEU A 41 -15.473 8.589 -9.494 1.00 12.25 H new ATOM 0 HB3 LEU A 41 -15.337 9.789 -8.224 1.00 12.25 H new ATOM 0 HG LEU A 41 -13.151 7.908 -9.159 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -12.054 9.978 -9.916 1.00 12.99 H new ATOM 0 HD12 LEU A 41 -13.621 9.728 -10.721 1.00 12.99 H new ATOM 0 HD13 LEU A 41 -13.478 10.914 -9.402 1.00 12.99 H new ATOM 0 HD21 LEU A 41 -11.683 9.157 -7.626 1.00 11.79 H new ATOM 0 HD22 LEU A 41 -13.092 10.061 -7.021 1.00 11.79 H new ATOM 0 HD23 LEU A 41 -12.980 8.305 -6.753 1.00 11.79 H new ATOM 558 N GLY A 42 -17.298 8.294 -6.048 1.00 12.24 N ATOM 559 CA GLY A 42 -18.693 8.469 -5.695 1.00 12.82 C ATOM 560 C GLY A 42 -19.407 7.150 -5.471 1.00 13.07 C ATOM 561 O GLY A 42 -20.628 7.114 -5.330 1.00 13.39 O ATOM 0 H GLY A 42 -16.639 8.487 -5.294 1.00 12.24 H new ATOM 0 HA2 GLY A 42 -18.762 9.074 -4.791 1.00 12.82 H new ATOM 0 HA3 GLY A 42 -19.198 9.022 -6.487 1.00 12.82 H new ATOM 565 N LYS A 43 -18.650 6.065 -5.437 1.00 13.04 N ATOM 566 CA LYS A 43 -19.224 4.745 -5.235 1.00 13.33 C ATOM 567 C LYS A 43 -18.768 4.159 -3.909 1.00 12.82 C ATOM 568 O LYS A 43 -17.703 4.507 -3.396 1.00 13.01 O ATOM 569 CB LYS A 43 -18.827 3.814 -6.381 1.00 13.98 C ATOM 570 CG LYS A 43 -19.484 4.155 -7.710 1.00 15.04 C ATOM 571 CD LYS A 43 -20.888 3.579 -7.808 1.00 15.77 C ATOM 572 CE LYS A 43 -21.908 4.459 -7.105 1.00 16.37 C ATOM 573 NZ LYS A 43 -23.270 3.868 -7.151 1.00 16.87 N ATOM 0 H LYS A 43 -17.636 6.073 -5.547 1.00 13.04 H new ATOM 0 HA LYS A 43 -20.309 4.843 -5.217 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -17.744 3.846 -6.504 1.00 13.98 H new ATOM 0 HB3 LYS A 43 -19.087 2.790 -6.111 1.00 13.98 H new ATOM 0 HG2 LYS A 43 -19.526 5.238 -7.828 1.00 15.04 H new ATOM 0 HG3 LYS A 43 -18.874 3.769 -8.527 1.00 15.04 H new ATOM 0 HD2 LYS A 43 -21.164 3.469 -8.857 1.00 15.77 H new ATOM 0 HD3 LYS A 43 -20.904 2.582 -7.368 1.00 15.77 H new ATOM 0 HE2 LYS A 43 -21.609 4.604 -6.067 1.00 16.37 H new ATOM 0 HE3 LYS A 43 -21.923 5.443 -7.573 1.00 16.37 H new ATOM 0 HZ1 LYS A 43 -23.928 4.471 -6.618 1.00 16.87 H new ATOM 0 HZ2 LYS A 43 -23.586 3.800 -8.140 1.00 16.87 H new ATOM 0 HZ3 LYS A 43 -23.251 2.918 -6.728 1.00 16.87 H new ATOM 587 N ASN A 44 -19.587 3.277 -3.355 1.00 12.28 N ATOM 588 CA ASN A 44 -19.274 2.629 -2.094 1.00 11.87 C ATOM 589 C ASN A 44 -18.611 1.288 -2.364 1.00 11.67 C ATOM 590 O ASN A 44 -19.034 0.547 -3.253 1.00 11.82 O ATOM 591 CB ASN A 44 -20.541 2.410 -1.253 1.00 11.97 C ATOM 592 CG ASN A 44 -21.193 3.703 -0.795 1.00 12.28 C ATOM 593 OD1 ASN A 44 -22.008 4.287 -1.506 1.00 12.50 O ATOM 594 ND2 ASN A 44 -20.865 4.146 0.409 1.00 12.46 N ATOM 0 H ASN A 44 -20.478 2.994 -3.763 1.00 12.28 H new ATOM 0 HA ASN A 44 -18.598 3.276 -1.536 1.00 11.87 H new ATOM 0 HB2 ASN A 44 -21.261 1.836 -1.837 1.00 11.97 H new ATOM 0 HB3 ASN A 44 -20.288 1.810 -0.379 1.00 11.97 H new ATOM 0 HD21 ASN A 44 -21.293 4.997 0.773 1.00 12.46 H new ATOM 0 HD22 ASN A 44 -20.185 3.636 0.972 1.00 12.46 H new ATOM 601 N ILE A 45 -17.579 0.975 -1.594 1.00 11.52 N ATOM 602 CA ILE A 45 -16.857 -0.285 -1.743 1.00 11.55 C ATOM 603 C ILE A 45 -17.786 -1.479 -1.495 1.00 11.53 C ATOM 604 O ILE A 45 -17.554 -2.579 -1.992 1.00 11.49 O ATOM 605 CB ILE A 45 -15.642 -0.344 -0.783 1.00 11.20 C ATOM 606 CG1 ILE A 45 -14.826 -1.623 -1.016 1.00 11.40 C ATOM 607 CG2 ILE A 45 -16.097 -0.251 0.667 1.00 11.02 C ATOM 608 CD1 ILE A 45 -13.514 -1.656 -0.263 1.00 11.72 C ATOM 0 H ILE A 45 -17.219 1.579 -0.855 1.00 11.52 H new ATOM 0 HA ILE A 45 -16.490 -0.339 -2.768 1.00 11.55 H new ATOM 0 HB ILE A 45 -15.000 0.511 -0.994 1.00 11.20 H new ATOM 0 HG12 ILE A 45 -15.425 -2.484 -0.721 1.00 11.40 H new ATOM 0 HG13 ILE A 45 -14.625 -1.725 -2.082 1.00 11.40 H new ATOM 0 HG21 ILE A 45 -15.229 -0.294 1.324 1.00 11.02 H new ATOM 0 HG22 ILE A 45 -16.624 0.690 0.823 1.00 11.02 H new ATOM 0 HG23 ILE A 45 -16.765 -1.082 0.893 1.00 11.02 H new ATOM 0 HD11 ILE A 45 -12.995 -2.590 -0.478 1.00 11.72 H new ATOM 0 HD12 ILE A 45 -12.894 -0.816 -0.575 1.00 11.72 H new ATOM 0 HD13 ILE A 45 -13.707 -1.586 0.808 1.00 11.72 H new ATOM 620 N VAL A 46 -18.864 -1.237 -0.755 1.00 11.77 N ATOM 621 CA VAL A 46 -19.834 -2.277 -0.430 1.00 11.99 C ATOM 622 C VAL A 46 -20.651 -2.687 -1.663 1.00 12.29 C ATOM 623 O VAL A 46 -21.214 -3.784 -1.715 1.00 12.37 O ATOM 624 CB VAL A 46 -20.777 -1.816 0.712 1.00 12.37 C ATOM 625 CG1 VAL A 46 -21.664 -0.664 0.262 1.00 12.89 C ATOM 626 CG2 VAL A 46 -21.618 -2.971 1.234 1.00 12.52 C ATOM 0 H VAL A 46 -19.089 -0.321 -0.366 1.00 11.77 H new ATOM 0 HA VAL A 46 -19.276 -3.149 -0.090 1.00 11.99 H new ATOM 0 HB VAL A 46 -20.150 -1.460 1.530 1.00 12.37 H new ATOM 0 HG11 VAL A 46 -22.314 -0.363 1.084 1.00 12.89 H new ATOM 0 HG12 VAL A 46 -21.041 0.180 -0.036 1.00 12.89 H new ATOM 0 HG13 VAL A 46 -22.273 -0.983 -0.584 1.00 12.89 H new ATOM 0 HG21 VAL A 46 -22.268 -2.615 2.033 1.00 12.52 H new ATOM 0 HG22 VAL A 46 -22.226 -3.374 0.424 1.00 12.52 H new ATOM 0 HG23 VAL A 46 -20.963 -3.753 1.619 1.00 12.52 H new ATOM 636 N GLU A 47 -20.693 -1.818 -2.668 1.00 12.64 N ATOM 637 CA GLU A 47 -21.440 -2.103 -3.886 1.00 13.14 C ATOM 638 C GLU A 47 -20.722 -3.157 -4.716 1.00 12.83 C ATOM 639 O GLU A 47 -21.344 -4.051 -5.286 1.00 12.91 O ATOM 640 CB GLU A 47 -21.620 -0.830 -4.715 1.00 14.14 C ATOM 641 CG GLU A 47 -22.415 0.256 -4.010 1.00 14.73 C ATOM 642 CD GLU A 47 -22.540 1.508 -4.849 1.00 15.67 C ATOM 643 OE1 GLU A 47 -23.284 1.487 -5.852 1.00 16.53 O ATOM 644 OE2 GLU A 47 -21.903 2.523 -4.512 1.00 15.65 O ATOM 0 H GLU A 47 -20.220 -0.914 -2.663 1.00 12.64 H new ATOM 0 HA GLU A 47 -22.421 -2.482 -3.601 1.00 13.14 H new ATOM 0 HB2 GLU A 47 -20.638 -0.436 -4.976 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -22.120 -1.084 -5.649 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -23.410 -0.121 -3.772 1.00 14.73 H new ATOM 0 HG3 GLU A 47 -21.932 0.501 -3.064 1.00 14.73 H new ATOM 651 N PHE A 48 -19.400 -3.057 -4.753 1.00 12.62 N ATOM 652 CA PHE A 48 -18.579 -3.988 -5.516 1.00 12.47 C ATOM 653 C PHE A 48 -18.034 -5.082 -4.608 1.00 11.91 C ATOM 654 O PHE A 48 -17.060 -5.756 -4.940 1.00 11.81 O ATOM 655 CB PHE A 48 -17.428 -3.237 -6.190 1.00 12.62 C ATOM 656 CG PHE A 48 -17.857 -1.964 -6.860 1.00 14.11 C ATOM 657 CD1 PHE A 48 -18.592 -2.001 -8.031 1.00 14.39 C ATOM 658 CD2 PHE A 48 -17.524 -0.731 -6.319 1.00 14.61 C ATOM 659 CE1 PHE A 48 -18.992 -0.834 -8.651 1.00 15.13 C ATOM 660 CE2 PHE A 48 -17.921 0.439 -6.935 1.00 15.34 C ATOM 661 CZ PHE A 48 -18.655 0.387 -8.103 1.00 14.85 C ATOM 0 H PHE A 48 -18.871 -2.337 -4.261 1.00 12.62 H new ATOM 0 HA PHE A 48 -19.197 -4.453 -6.284 1.00 12.47 H new ATOM 0 HB2 PHE A 48 -16.668 -3.007 -5.444 1.00 12.62 H new ATOM 0 HB3 PHE A 48 -16.962 -3.889 -6.929 1.00 12.62 H new ATOM 0 HD1 PHE A 48 -18.856 -2.954 -8.465 1.00 14.39 H new ATOM 0 HD2 PHE A 48 -16.948 -0.686 -5.406 1.00 14.61 H new ATOM 0 HE1 PHE A 48 -19.568 -0.877 -9.564 1.00 15.13 H new ATOM 0 HE2 PHE A 48 -17.658 1.394 -6.504 1.00 15.34 H new ATOM 0 HZ PHE A 48 -18.965 1.301 -8.588 1.00 14.85 H new ATOM 671 N CYS A 49 -18.673 -5.252 -3.463 1.00 11.77 N ATOM 672 CA CYS A 49 -18.262 -6.259 -2.504 1.00 11.49 C ATOM 673 C CYS A 49 -19.214 -7.446 -2.536 1.00 11.83 C ATOM 674 O CYS A 49 -20.399 -7.300 -2.852 1.00 11.97 O ATOM 675 CB CYS A 49 -18.211 -5.662 -1.093 1.00 11.25 C ATOM 676 SG CYS A 49 -17.724 -6.835 0.194 1.00 11.37 S ATOM 0 H CYS A 49 -19.482 -4.702 -3.175 1.00 11.77 H new ATOM 0 HA CYS A 49 -17.265 -6.605 -2.775 1.00 11.49 H new ATOM 0 HB2 CYS A 49 -17.511 -4.826 -1.090 1.00 11.25 H new ATOM 0 HB3 CYS A 49 -19.193 -5.257 -0.847 1.00 11.25 H new ATOM 0 HG CYS A 49 -16.457 -7.101 0.081 1.00 11.37 H new ATOM 682 N HIS A 50 -18.674 -8.619 -2.237 1.00 12.10 N ATOM 683 CA HIS A 50 -19.446 -9.852 -2.197 1.00 12.66 C ATOM 684 C HIS A 50 -20.583 -9.704 -1.189 1.00 12.75 C ATOM 685 O HIS A 50 -20.341 -9.358 -0.037 1.00 12.20 O ATOM 686 CB HIS A 50 -18.521 -11.005 -1.796 1.00 13.24 C ATOM 687 CG HIS A 50 -19.022 -12.369 -2.152 1.00 13.78 C ATOM 688 ND1 HIS A 50 -18.824 -13.462 -1.343 1.00 14.15 N ATOM 689 CD2 HIS A 50 -19.673 -12.826 -3.248 1.00 14.13 C ATOM 690 CE1 HIS A 50 -19.330 -14.533 -1.922 1.00 14.67 C ATOM 691 NE2 HIS A 50 -19.851 -14.176 -3.081 1.00 14.65 N ATOM 0 H HIS A 50 -17.686 -8.742 -2.015 1.00 12.10 H new ATOM 0 HA HIS A 50 -19.873 -10.062 -3.178 1.00 12.66 H new ATOM 0 HB2 HIS A 50 -17.551 -10.855 -2.270 1.00 13.24 H new ATOM 0 HB3 HIS A 50 -18.359 -10.963 -0.719 1.00 13.24 H new ATOM 0 HD1 HIS A 50 -18.358 -13.447 -0.436 1.00 14.15 H new ATOM 0 HD2 HIS A 50 -19.992 -12.238 -4.095 1.00 14.13 H new ATOM 0 HE1 HIS A 50 -19.320 -15.534 -1.516 1.00 14.67 H new ATOM 700 N PRO A 51 -21.833 -9.943 -1.611 1.00 13.57 N ATOM 701 CA PRO A 51 -23.013 -9.812 -0.742 1.00 13.93 C ATOM 702 C PRO A 51 -22.868 -10.520 0.610 1.00 14.09 C ATOM 703 O PRO A 51 -23.303 -10.001 1.639 1.00 14.26 O ATOM 704 CB PRO A 51 -24.126 -10.449 -1.569 1.00 14.93 C ATOM 705 CG PRO A 51 -23.707 -10.228 -2.980 1.00 15.15 C ATOM 706 CD PRO A 51 -22.207 -10.342 -2.982 1.00 14.35 C ATOM 0 HA PRO A 51 -23.193 -8.771 -0.473 1.00 13.93 H new ATOM 0 HB2 PRO A 51 -24.229 -11.511 -1.346 1.00 14.93 H new ATOM 0 HB3 PRO A 51 -25.090 -9.985 -1.363 1.00 14.93 H new ATOM 0 HG2 PRO A 51 -24.157 -10.968 -3.642 1.00 15.15 H new ATOM 0 HG3 PRO A 51 -24.026 -9.248 -3.334 1.00 15.15 H new ATOM 0 HD2 PRO A 51 -21.881 -11.357 -3.208 1.00 14.35 H new ATOM 0 HD3 PRO A 51 -21.755 -9.689 -3.728 1.00 14.35 H new ATOM 714 N GLU A 52 -22.253 -11.694 0.608 1.00 14.17 N ATOM 715 CA GLU A 52 -22.058 -12.466 1.833 1.00 14.44 C ATOM 716 C GLU A 52 -20.848 -11.973 2.634 1.00 13.87 C ATOM 717 O GLU A 52 -20.533 -12.527 3.689 1.00 14.17 O ATOM 718 CB GLU A 52 -21.881 -13.949 1.506 1.00 15.45 C ATOM 719 CG GLU A 52 -22.946 -14.502 0.576 1.00 16.21 C ATOM 720 CD GLU A 52 -22.498 -14.524 -0.870 1.00 16.09 C ATOM 721 OE1 GLU A 52 -22.339 -13.438 -1.469 1.00 15.73 O ATOM 722 OE2 GLU A 52 -22.294 -15.629 -1.411 1.00 16.47 O ATOM 0 H GLU A 52 -21.878 -12.137 -0.231 1.00 14.17 H new ATOM 0 HA GLU A 52 -22.949 -12.328 2.445 1.00 14.44 H new ATOM 0 HB2 GLU A 52 -20.902 -14.097 1.051 1.00 15.45 H new ATOM 0 HB3 GLU A 52 -21.890 -14.520 2.434 1.00 15.45 H new ATOM 0 HG2 GLU A 52 -23.206 -15.513 0.888 1.00 16.21 H new ATOM 0 HG3 GLU A 52 -23.850 -13.899 0.664 1.00 16.21 H new ATOM 729 N ASP A 53 -20.173 -10.943 2.137 1.00 13.16 N ATOM 730 CA ASP A 53 -19.000 -10.396 2.821 1.00 12.70 C ATOM 731 C ASP A 53 -19.155 -8.901 3.057 1.00 12.63 C ATOM 732 O ASP A 53 -18.257 -8.250 3.593 1.00 12.77 O ATOM 733 CB ASP A 53 -17.728 -10.652 2.009 1.00 12.21 C ATOM 734 CG ASP A 53 -17.376 -12.120 1.922 1.00 12.39 C ATOM 735 OD1 ASP A 53 -16.977 -12.704 2.950 1.00 11.90 O ATOM 736 OD2 ASP A 53 -17.497 -12.699 0.823 1.00 13.14 O ATOM 0 H ASP A 53 -20.414 -10.469 1.266 1.00 13.16 H new ATOM 0 HA ASP A 53 -18.918 -10.901 3.784 1.00 12.70 H new ATOM 0 HB2 ASP A 53 -17.858 -10.254 1.003 1.00 12.21 H new ATOM 0 HB3 ASP A 53 -16.898 -10.110 2.462 1.00 12.21 H new ATOM 741 N GLN A 54 -20.304 -8.363 2.665 1.00 12.56 N ATOM 742 CA GLN A 54 -20.577 -6.942 2.820 1.00 12.69 C ATOM 743 C GLN A 54 -20.567 -6.539 4.292 1.00 12.06 C ATOM 744 O GLN A 54 -20.046 -5.480 4.651 1.00 11.70 O ATOM 745 CB GLN A 54 -21.920 -6.585 2.181 1.00 13.60 C ATOM 746 CG GLN A 54 -21.871 -6.544 0.661 1.00 14.35 C ATOM 747 CD GLN A 54 -23.246 -6.511 0.026 1.00 15.27 C ATOM 748 OE1 GLN A 54 -24.205 -7.072 0.560 1.00 15.83 O ATOM 749 NE2 GLN A 54 -23.352 -5.861 -1.119 1.00 15.52 N ATOM 0 H GLN A 54 -21.063 -8.893 2.236 1.00 12.56 H new ATOM 0 HA GLN A 54 -19.787 -6.389 2.312 1.00 12.69 H new ATOM 0 HB2 GLN A 54 -22.668 -7.313 2.494 1.00 13.60 H new ATOM 0 HB3 GLN A 54 -22.245 -5.614 2.554 1.00 13.60 H new ATOM 0 HG2 GLN A 54 -21.309 -5.665 0.345 1.00 14.35 H new ATOM 0 HG3 GLN A 54 -21.329 -7.417 0.297 1.00 14.35 H new ATOM 0 HE21 GLN A 54 -22.533 -5.410 -1.527 1.00 15.52 H new ATOM 0 HE22 GLN A 54 -24.253 -5.810 -1.595 1.00 15.52 H new ATOM 758 N GLN A 55 -21.122 -7.396 5.139 1.00 12.07 N ATOM 759 CA GLN A 55 -21.173 -7.129 6.569 1.00 11.64 C ATOM 760 C GLN A 55 -19.765 -7.140 7.158 1.00 11.18 C ATOM 761 O GLN A 55 -19.404 -6.258 7.932 1.00 11.47 O ATOM 762 CB GLN A 55 -22.055 -8.159 7.276 1.00 12.30 C ATOM 763 CG GLN A 55 -22.252 -7.887 8.762 1.00 13.09 C ATOM 764 CD GLN A 55 -22.984 -6.586 9.035 1.00 13.56 C ATOM 765 OE1 GLN A 55 -23.806 -6.135 8.237 1.00 13.71 O ATOM 766 NE2 GLN A 55 -22.692 -5.974 10.170 1.00 13.94 N ATOM 0 H GLN A 55 -21.543 -8.282 4.860 1.00 12.07 H new ATOM 0 HA GLN A 55 -21.608 -6.141 6.722 1.00 11.64 H new ATOM 0 HB2 GLN A 55 -23.030 -8.184 6.789 1.00 12.30 H new ATOM 0 HB3 GLN A 55 -21.612 -9.147 7.153 1.00 12.30 H new ATOM 0 HG2 GLN A 55 -22.810 -8.711 9.206 1.00 13.09 H new ATOM 0 HG3 GLN A 55 -21.279 -7.860 9.253 1.00 13.09 H new ATOM 0 HE21 GLN A 55 -22.005 -6.379 10.806 1.00 13.94 H new ATOM 0 HE22 GLN A 55 -23.154 -5.097 10.410 1.00 13.94 H new ATOM 775 N LEU A 56 -18.970 -8.132 6.763 1.00 10.67 N ATOM 776 CA LEU A 56 -17.596 -8.263 7.242 1.00 10.41 C ATOM 777 C LEU A 56 -16.783 -7.027 6.868 1.00 9.74 C ATOM 778 O LEU A 56 -15.998 -6.519 7.671 1.00 10.08 O ATOM 779 CB LEU A 56 -16.947 -9.517 6.650 1.00 10.70 C ATOM 780 CG LEU A 56 -15.540 -9.832 7.160 1.00 11.52 C ATOM 781 CD1 LEU A 56 -15.577 -10.221 8.630 1.00 12.11 C ATOM 782 CD2 LEU A 56 -14.916 -10.942 6.329 1.00 11.94 C ATOM 0 H LEU A 56 -19.256 -8.861 6.109 1.00 10.67 H new ATOM 0 HA LEU A 56 -17.614 -8.354 8.328 1.00 10.41 H new ATOM 0 HB2 LEU A 56 -17.590 -10.372 6.859 1.00 10.70 H new ATOM 0 HB3 LEU A 56 -16.906 -9.407 5.566 1.00 10.70 H new ATOM 0 HG LEU A 56 -14.927 -8.936 7.061 1.00 11.52 H new ATOM 0 HD11 LEU A 56 -14.566 -10.441 8.974 1.00 12.11 H new ATOM 0 HD12 LEU A 56 -15.987 -9.397 9.214 1.00 12.11 H new ATOM 0 HD13 LEU A 56 -16.204 -11.104 8.757 1.00 12.11 H new ATOM 0 HD21 LEU A 56 -13.915 -11.157 6.702 1.00 11.94 H new ATOM 0 HD22 LEU A 56 -15.530 -11.840 6.401 1.00 11.94 H new ATOM 0 HD23 LEU A 56 -14.855 -10.626 5.287 1.00 11.94 H new ATOM 794 N LEU A 57 -16.980 -6.549 5.646 1.00 9.01 N ATOM 795 CA LEU A 57 -16.282 -5.367 5.164 1.00 8.57 C ATOM 796 C LEU A 57 -16.659 -4.155 6.008 1.00 8.01 C ATOM 797 O LEU A 57 -15.794 -3.464 6.545 1.00 7.76 O ATOM 798 CB LEU A 57 -16.642 -5.105 3.699 1.00 8.96 C ATOM 799 CG LEU A 57 -15.476 -4.737 2.777 1.00 9.22 C ATOM 800 CD1 LEU A 57 -16.000 -4.077 1.514 1.00 9.38 C ATOM 801 CD2 LEU A 57 -14.481 -3.822 3.479 1.00 9.71 C ATOM 0 H LEU A 57 -17.620 -6.964 4.969 1.00 9.01 H new ATOM 0 HA LEU A 57 -15.209 -5.539 5.244 1.00 8.57 H new ATOM 0 HB2 LEU A 57 -17.128 -5.995 3.300 1.00 8.96 H new ATOM 0 HB3 LEU A 57 -17.375 -4.299 3.664 1.00 8.96 H new ATOM 0 HG LEU A 57 -14.953 -5.655 2.510 1.00 9.22 H new ATOM 0 HD11 LEU A 57 -15.164 -3.819 0.864 1.00 9.38 H new ATOM 0 HD12 LEU A 57 -16.665 -4.765 0.993 1.00 9.38 H new ATOM 0 HD13 LEU A 57 -16.548 -3.172 1.777 1.00 9.38 H new ATOM 0 HD21 LEU A 57 -13.666 -3.580 2.797 1.00 9.71 H new ATOM 0 HD22 LEU A 57 -14.983 -2.904 3.784 1.00 9.71 H new ATOM 0 HD23 LEU A 57 -14.081 -4.326 4.358 1.00 9.71 H new ATOM 813 N ARG A 58 -17.959 -3.925 6.131 1.00 8.00 N ATOM 814 CA ARG A 58 -18.480 -2.798 6.896 1.00 7.77 C ATOM 815 C ARG A 58 -18.039 -2.864 8.356 1.00 7.79 C ATOM 816 O ARG A 58 -17.597 -1.867 8.925 1.00 7.99 O ATOM 817 CB ARG A 58 -20.007 -2.772 6.805 1.00 8.25 C ATOM 818 CG ARG A 58 -20.646 -1.553 7.450 1.00 8.49 C ATOM 819 CD ARG A 58 -22.143 -1.525 7.197 1.00 9.14 C ATOM 820 NE ARG A 58 -22.814 -0.475 7.962 1.00 9.67 N ATOM 821 CZ ARG A 58 -24.067 -0.568 8.408 1.00 10.46 C ATOM 822 NH1 ARG A 58 -24.784 -1.660 8.162 1.00 10.80 N ATOM 823 NH2 ARG A 58 -24.606 0.433 9.088 1.00 11.06 N ATOM 0 H ARG A 58 -18.679 -4.510 5.707 1.00 8.00 H new ATOM 0 HA ARG A 58 -18.076 -1.880 6.468 1.00 7.77 H new ATOM 0 HB2 ARG A 58 -20.298 -2.809 5.755 1.00 8.25 H new ATOM 0 HB3 ARG A 58 -20.404 -3.670 7.278 1.00 8.25 H new ATOM 0 HG2 ARG A 58 -20.455 -1.563 8.523 1.00 8.49 H new ATOM 0 HG3 ARG A 58 -20.190 -0.646 7.053 1.00 8.49 H new ATOM 0 HD2 ARG A 58 -22.327 -1.371 6.134 1.00 9.14 H new ATOM 0 HD3 ARG A 58 -22.572 -2.493 7.458 1.00 9.14 H new ATOM 0 HE ARG A 58 -22.293 0.378 8.166 1.00 9.67 H new ATOM 0 HH11 ARG A 58 -24.376 -2.429 7.631 1.00 10.80 H new ATOM 0 HH12 ARG A 58 -25.742 -1.729 8.504 1.00 10.80 H new ATOM 0 HH21 ARG A 58 -24.062 1.276 9.271 1.00 11.06 H new ATOM 0 HH22 ARG A 58 -25.565 0.360 9.429 1.00 11.06 H new ATOM 837 N ASP A 59 -18.149 -4.044 8.951 1.00 7.90 N ATOM 838 CA ASP A 59 -17.764 -4.246 10.347 1.00 8.29 C ATOM 839 C ASP A 59 -16.299 -3.890 10.567 1.00 8.20 C ATOM 840 O ASP A 59 -15.960 -3.181 11.515 1.00 8.39 O ATOM 841 CB ASP A 59 -18.011 -5.697 10.767 1.00 8.86 C ATOM 842 CG ASP A 59 -17.787 -5.918 12.250 1.00 9.31 C ATOM 843 OD1 ASP A 59 -16.622 -6.104 12.661 1.00 9.46 O ATOM 844 OD2 ASP A 59 -18.777 -5.904 13.013 1.00 9.71 O ATOM 0 H ASP A 59 -18.503 -4.881 8.489 1.00 7.90 H new ATOM 0 HA ASP A 59 -18.378 -3.587 10.960 1.00 8.29 H new ATOM 0 HB2 ASP A 59 -19.033 -5.977 10.511 1.00 8.86 H new ATOM 0 HB3 ASP A 59 -17.350 -6.353 10.201 1.00 8.86 H new ATOM 849 N SER A 60 -15.439 -4.376 9.682 1.00 8.16 N ATOM 850 CA SER A 60 -14.008 -4.110 9.779 1.00 8.37 C ATOM 851 C SER A 60 -13.715 -2.630 9.551 1.00 8.73 C ATOM 852 O SER A 60 -12.798 -2.068 10.156 1.00 9.52 O ATOM 853 CB SER A 60 -13.246 -4.974 8.777 1.00 8.66 C ATOM 854 OG SER A 60 -13.606 -6.338 8.920 1.00 8.89 O ATOM 0 H SER A 60 -15.707 -4.957 8.888 1.00 8.16 H new ATOM 0 HA SER A 60 -13.674 -4.366 10.785 1.00 8.37 H new ATOM 0 HB2 SER A 60 -13.462 -4.640 7.762 1.00 8.66 H new ATOM 0 HB3 SER A 60 -12.173 -4.857 8.930 1.00 8.66 H new ATOM 0 HG SER A 60 -14.488 -6.487 8.520 1.00 8.89 H new ATOM 860 N PHE A 61 -14.504 -1.999 8.690 1.00 8.33 N ATOM 861 CA PHE A 61 -14.340 -0.580 8.408 1.00 8.80 C ATOM 862 C PHE A 61 -14.626 0.234 9.661 1.00 8.83 C ATOM 863 O PHE A 61 -14.062 1.303 9.863 1.00 9.18 O ATOM 864 CB PHE A 61 -15.271 -0.141 7.274 1.00 9.15 C ATOM 865 CG PHE A 61 -14.617 -0.138 5.922 1.00 9.81 C ATOM 866 CD1 PHE A 61 -13.438 -0.831 5.702 1.00 10.30 C ATOM 867 CD2 PHE A 61 -15.185 0.561 4.871 1.00 10.14 C ATOM 868 CE1 PHE A 61 -12.837 -0.826 4.458 1.00 11.11 C ATOM 869 CE2 PHE A 61 -14.589 0.570 3.626 1.00 10.92 C ATOM 870 CZ PHE A 61 -13.413 -0.125 3.418 1.00 11.40 C ATOM 0 H PHE A 61 -15.262 -2.447 8.176 1.00 8.33 H new ATOM 0 HA PHE A 61 -13.311 -0.407 8.094 1.00 8.80 H new ATOM 0 HB2 PHE A 61 -16.135 -0.805 7.248 1.00 9.15 H new ATOM 0 HB3 PHE A 61 -15.644 0.860 7.489 1.00 9.15 H new ATOM 0 HD1 PHE A 61 -12.983 -1.382 6.512 1.00 10.30 H new ATOM 0 HD2 PHE A 61 -16.105 1.105 5.027 1.00 10.14 H new ATOM 0 HE1 PHE A 61 -11.918 -1.370 4.300 1.00 11.11 H new ATOM 0 HE2 PHE A 61 -15.042 1.120 2.814 1.00 10.92 H new ATOM 0 HZ PHE A 61 -12.946 -0.120 2.444 1.00 11.40 H new ATOM 880 N GLN A 62 -15.504 -0.290 10.502 1.00 8.73 N ATOM 881 CA GLN A 62 -15.853 0.373 11.746 1.00 9.08 C ATOM 882 C GLN A 62 -14.773 0.130 12.794 1.00 9.26 C ATOM 883 O GLN A 62 -14.512 0.979 13.645 1.00 9.50 O ATOM 884 CB GLN A 62 -17.202 -0.129 12.256 1.00 9.51 C ATOM 885 CG GLN A 62 -18.353 0.145 11.301 1.00 9.32 C ATOM 886 CD GLN A 62 -18.500 1.616 10.958 1.00 9.53 C ATOM 887 OE1 GLN A 62 -18.224 2.491 11.916 1.00 9.42 O flip ATOM 888 NE2 GLN A 62 -18.870 1.964 9.838 1.00 10.04 N flip ATOM 0 H GLN A 62 -15.988 -1.174 10.344 1.00 8.73 H new ATOM 0 HA GLN A 62 -15.927 1.444 11.559 1.00 9.08 H new ATOM 0 HB2 GLN A 62 -17.137 -1.202 12.435 1.00 9.51 H new ATOM 0 HB3 GLN A 62 -17.417 0.342 13.215 1.00 9.51 H new ATOM 0 HG2 GLN A 62 -18.200 -0.423 10.383 1.00 9.32 H new ATOM 0 HG3 GLN A 62 -19.281 -0.213 11.747 1.00 9.32 H new ATOM 0 HE21 GLN A 62 -19.073 1.262 9.127 1.00 10.04 H new ATOM 0 HE22 GLN A 62 -18.974 2.955 9.620 1.00 10.04 H new ATOM 897 N GLN A 63 -14.138 -1.034 12.713 1.00 9.36 N ATOM 898 CA GLN A 63 -13.082 -1.399 13.652 1.00 9.71 C ATOM 899 C GLN A 63 -11.863 -0.498 13.480 1.00 10.03 C ATOM 900 O GLN A 63 -11.274 -0.049 14.462 1.00 10.60 O ATOM 901 CB GLN A 63 -12.673 -2.860 13.469 1.00 9.50 C ATOM 902 CG GLN A 63 -13.742 -3.855 13.888 1.00 9.75 C ATOM 903 CD GLN A 63 -13.207 -5.267 13.995 1.00 9.97 C ATOM 904 OE1 GLN A 63 -12.037 -5.476 14.325 1.00 10.06 O ATOM 905 NE2 GLN A 63 -14.051 -6.244 13.717 1.00 10.30 N ATOM 0 H GLN A 63 -14.336 -1.742 12.006 1.00 9.36 H new ATOM 0 HA GLN A 63 -13.477 -1.266 14.659 1.00 9.71 H new ATOM 0 HB2 GLN A 63 -12.424 -3.029 12.421 1.00 9.50 H new ATOM 0 HB3 GLN A 63 -11.768 -3.049 14.046 1.00 9.50 H new ATOM 0 HG2 GLN A 63 -14.158 -3.553 14.849 1.00 9.75 H new ATOM 0 HG3 GLN A 63 -14.558 -3.833 13.166 1.00 9.75 H new ATOM 0 HE21 GLN A 63 -15.011 -6.028 13.448 1.00 10.30 H new ATOM 0 HE22 GLN A 63 -13.743 -7.215 13.771 1.00 10.30 H new ATOM 914 N VAL A 64 -11.495 -0.225 12.230 1.00 9.80 N ATOM 915 CA VAL A 64 -10.342 0.626 11.950 1.00 10.18 C ATOM 916 C VAL A 64 -10.589 2.046 12.466 1.00 10.37 C ATOM 917 O VAL A 64 -9.649 2.778 12.788 1.00 10.25 O ATOM 918 CB VAL A 64 -9.987 0.649 10.441 1.00 10.36 C ATOM 919 CG1 VAL A 64 -11.019 1.419 9.630 1.00 10.34 C ATOM 920 CG2 VAL A 64 -8.598 1.227 10.226 1.00 10.62 C ATOM 0 H VAL A 64 -11.974 -0.578 11.402 1.00 9.80 H new ATOM 0 HA VAL A 64 -9.487 0.200 12.476 1.00 10.18 H new ATOM 0 HB VAL A 64 -9.995 -0.382 10.087 1.00 10.36 H new ATOM 0 HG11 VAL A 64 -10.734 1.412 8.578 1.00 10.34 H new ATOM 0 HG12 VAL A 64 -11.996 0.949 9.745 1.00 10.34 H new ATOM 0 HG13 VAL A 64 -11.067 2.448 9.986 1.00 10.34 H new ATOM 0 HG21 VAL A 64 -8.368 1.234 9.161 1.00 10.62 H new ATOM 0 HG22 VAL A 64 -8.564 2.246 10.612 1.00 10.62 H new ATOM 0 HG23 VAL A 64 -7.864 0.616 10.751 1.00 10.62 H new ATOM 930 N VAL A 65 -11.863 2.420 12.555 1.00 10.88 N ATOM 931 CA VAL A 65 -12.242 3.730 13.061 1.00 11.34 C ATOM 932 C VAL A 65 -12.019 3.774 14.569 1.00 11.77 C ATOM 933 O VAL A 65 -11.568 4.780 15.113 1.00 11.90 O ATOM 934 CB VAL A 65 -13.718 4.059 12.741 1.00 11.81 C ATOM 935 CG1 VAL A 65 -14.139 5.371 13.385 1.00 12.41 C ATOM 936 CG2 VAL A 65 -13.941 4.114 11.241 1.00 11.68 C ATOM 0 H VAL A 65 -12.649 1.831 12.282 1.00 10.88 H new ATOM 0 HA VAL A 65 -11.620 4.478 12.569 1.00 11.34 H new ATOM 0 HB VAL A 65 -14.335 3.262 13.157 1.00 11.81 H new ATOM 0 HG11 VAL A 65 -15.182 5.577 13.143 1.00 12.41 H new ATOM 0 HG12 VAL A 65 -14.025 5.298 14.467 1.00 12.41 H new ATOM 0 HG13 VAL A 65 -13.512 6.179 13.008 1.00 12.41 H new ATOM 0 HG21 VAL A 65 -14.986 4.347 11.037 1.00 11.68 H new ATOM 0 HG22 VAL A 65 -13.306 4.886 10.807 1.00 11.68 H new ATOM 0 HG23 VAL A 65 -13.692 3.149 10.800 1.00 11.68 H new ATOM 946 N LYS A 66 -12.320 2.659 15.230 1.00 12.17 N ATOM 947 CA LYS A 66 -12.142 2.545 16.671 1.00 12.79 C ATOM 948 C LYS A 66 -10.659 2.538 17.014 1.00 12.52 C ATOM 949 O LYS A 66 -10.236 3.154 17.994 1.00 12.98 O ATOM 950 CB LYS A 66 -12.783 1.257 17.192 1.00 13.48 C ATOM 951 CG LYS A 66 -14.266 1.133 16.891 1.00 14.09 C ATOM 952 CD LYS A 66 -14.770 -0.271 17.179 1.00 14.62 C ATOM 953 CE LYS A 66 -14.669 -0.610 18.657 1.00 15.63 C ATOM 954 NZ LYS A 66 -14.773 -2.072 18.899 1.00 16.25 N ATOM 0 H LYS A 66 -12.690 1.819 14.786 1.00 12.17 H new ATOM 0 HA LYS A 66 -12.625 3.401 17.143 1.00 12.79 H new ATOM 0 HB2 LYS A 66 -12.263 0.404 16.756 1.00 13.48 H new ATOM 0 HB3 LYS A 66 -12.637 1.203 18.271 1.00 13.48 H new ATOM 0 HG2 LYS A 66 -14.823 1.852 17.491 1.00 14.09 H new ATOM 0 HG3 LYS A 66 -14.449 1.381 15.845 1.00 14.09 H new ATOM 0 HD2 LYS A 66 -15.807 -0.359 16.855 1.00 14.62 H new ATOM 0 HD3 LYS A 66 -14.192 -0.991 16.600 1.00 14.62 H new ATOM 0 HE2 LYS A 66 -13.720 -0.244 19.049 1.00 15.63 H new ATOM 0 HE3 LYS A 66 -15.460 -0.095 19.202 1.00 15.63 H new ATOM 0 HZ1 LYS A 66 -14.699 -2.261 19.919 1.00 16.25 H new ATOM 0 HZ2 LYS A 66 -15.689 -2.418 18.548 1.00 16.25 H new ATOM 0 HZ3 LYS A 66 -14.004 -2.562 18.400 1.00 16.25 H new ATOM 968 N LEU A 67 -9.882 1.828 16.199 1.00 11.90 N ATOM 969 CA LEU A 67 -8.442 1.723 16.392 1.00 11.71 C ATOM 970 C LEU A 67 -7.779 3.091 16.268 1.00 11.44 C ATOM 971 O LEU A 67 -6.993 3.486 17.129 1.00 11.79 O ATOM 972 CB LEU A 67 -7.839 0.757 15.369 1.00 11.29 C ATOM 973 CG LEU A 67 -8.270 -0.703 15.515 1.00 11.71 C ATOM 974 CD1 LEU A 67 -7.826 -1.513 14.308 1.00 11.30 C ATOM 975 CD2 LEU A 67 -7.709 -1.299 16.797 1.00 12.66 C ATOM 0 H LEU A 67 -10.233 1.313 15.391 1.00 11.90 H new ATOM 0 HA LEU A 67 -8.260 1.339 17.396 1.00 11.71 H new ATOM 0 HB2 LEU A 67 -8.106 1.099 14.369 1.00 11.29 H new ATOM 0 HB3 LEU A 67 -6.753 0.807 15.443 1.00 11.29 H new ATOM 0 HG LEU A 67 -9.358 -0.738 15.569 1.00 11.71 H new ATOM 0 HD11 LEU A 67 -8.141 -2.549 14.429 1.00 11.30 H new ATOM 0 HD12 LEU A 67 -8.278 -1.100 13.406 1.00 11.30 H new ATOM 0 HD13 LEU A 67 -6.740 -1.472 14.222 1.00 11.30 H new ATOM 0 HD21 LEU A 67 -8.026 -2.338 16.884 1.00 12.66 H new ATOM 0 HD22 LEU A 67 -6.620 -1.252 16.774 1.00 12.66 H new ATOM 0 HD23 LEU A 67 -8.078 -0.734 17.653 1.00 12.66 H new ATOM 987 N LYS A 68 -8.110 3.801 15.189 1.00 11.01 N ATOM 988 CA LYS A 68 -7.574 5.140 14.926 1.00 10.94 C ATOM 989 C LYS A 68 -6.068 5.123 14.661 1.00 10.41 C ATOM 990 O LYS A 68 -5.259 5.066 15.589 1.00 10.69 O ATOM 991 CB LYS A 68 -7.876 6.090 16.088 1.00 11.97 C ATOM 992 CG LYS A 68 -9.267 6.693 16.048 1.00 12.39 C ATOM 993 CD LYS A 68 -9.461 7.694 17.175 1.00 13.41 C ATOM 994 CE LYS A 68 -10.579 8.671 16.859 1.00 13.95 C ATOM 995 NZ LYS A 68 -10.578 9.833 17.785 1.00 14.83 N ATOM 0 H LYS A 68 -8.755 3.467 14.473 1.00 11.01 H new ATOM 0 HA LYS A 68 -8.071 5.498 14.025 1.00 10.94 H new ATOM 0 HB2 LYS A 68 -7.752 5.550 17.027 1.00 11.97 H new ATOM 0 HB3 LYS A 68 -7.142 6.896 16.085 1.00 11.97 H new ATOM 0 HG2 LYS A 68 -9.426 7.185 15.089 1.00 12.39 H new ATOM 0 HG3 LYS A 68 -10.012 5.902 16.128 1.00 12.39 H new ATOM 0 HD2 LYS A 68 -9.689 7.164 18.100 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -8.533 8.241 17.342 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -10.473 9.024 15.833 1.00 13.95 H new ATOM 0 HE3 LYS A 68 -11.538 8.157 16.922 1.00 13.95 H new ATOM 0 HZ1 LYS A 68 -11.016 10.651 17.316 1.00 14.83 H new ATOM 0 HZ2 LYS A 68 -11.118 9.595 18.641 1.00 14.83 H new ATOM 0 HZ3 LYS A 68 -9.599 10.067 18.047 1.00 14.83 H new ATOM 1009 N GLY A 69 -5.700 5.165 13.386 1.00 9.80 N ATOM 1010 CA GLY A 69 -4.296 5.189 13.012 1.00 9.42 C ATOM 1011 C GLY A 69 -3.655 3.818 12.999 1.00 9.15 C ATOM 1012 O GLY A 69 -2.428 3.699 12.965 1.00 9.55 O ATOM 0 H GLY A 69 -6.351 5.183 12.601 1.00 9.80 H new ATOM 0 HA2 GLY A 69 -4.198 5.637 12.023 1.00 9.42 H new ATOM 0 HA3 GLY A 69 -3.753 5.829 13.707 1.00 9.42 H new ATOM 1016 N GLN A 70 -4.479 2.783 13.029 1.00 8.62 N ATOM 1017 CA GLN A 70 -3.990 1.414 13.013 1.00 8.50 C ATOM 1018 C GLN A 70 -4.532 0.694 11.787 1.00 7.86 C ATOM 1019 O GLN A 70 -5.743 0.647 11.573 1.00 7.96 O ATOM 1020 CB GLN A 70 -4.398 0.688 14.302 1.00 8.66 C ATOM 1021 CG GLN A 70 -4.014 -0.786 14.338 1.00 9.04 C ATOM 1022 CD GLN A 70 -2.532 -1.033 14.118 1.00 8.99 C ATOM 1023 OE1 GLN A 70 -1.692 -0.119 14.580 1.00 8.60 O flip ATOM 1024 NE2 GLN A 70 -2.143 -2.048 13.541 1.00 9.59 N flip ATOM 0 H GLN A 70 -5.495 2.866 13.065 1.00 8.62 H new ATOM 0 HA GLN A 70 -2.901 1.419 12.962 1.00 8.50 H new ATOM 0 HB2 GLN A 70 -3.937 1.193 15.151 1.00 8.66 H new ATOM 0 HB3 GLN A 70 -5.477 0.774 14.428 1.00 8.66 H new ATOM 0 HG2 GLN A 70 -4.305 -1.205 15.301 1.00 9.04 H new ATOM 0 HG3 GLN A 70 -4.580 -1.319 13.574 1.00 9.04 H new ATOM 0 HE21 GLN A 70 -2.819 -2.731 13.198 1.00 9.59 H new ATOM 0 HE22 GLN A 70 -1.145 -2.207 13.405 1.00 9.59 H new ATOM 1033 N VAL A 71 -3.629 0.159 10.977 1.00 7.44 N ATOM 1034 CA VAL A 71 -4.013 -0.548 9.763 1.00 7.11 C ATOM 1035 C VAL A 71 -4.662 -1.896 10.091 1.00 6.68 C ATOM 1036 O VAL A 71 -4.108 -2.710 10.834 1.00 6.65 O ATOM 1037 CB VAL A 71 -2.801 -0.750 8.815 1.00 7.45 C ATOM 1038 CG1 VAL A 71 -1.658 -1.469 9.514 1.00 8.10 C ATOM 1039 CG2 VAL A 71 -3.216 -1.497 7.555 1.00 7.17 C ATOM 0 H VAL A 71 -2.623 0.201 11.139 1.00 7.44 H new ATOM 0 HA VAL A 71 -4.746 0.072 9.247 1.00 7.11 H new ATOM 0 HB VAL A 71 -2.443 0.238 8.527 1.00 7.45 H new ATOM 0 HG11 VAL A 71 -0.827 -1.593 8.819 1.00 8.10 H new ATOM 0 HG12 VAL A 71 -1.330 -0.882 10.372 1.00 8.10 H new ATOM 0 HG13 VAL A 71 -1.997 -2.448 9.852 1.00 8.10 H new ATOM 0 HG21 VAL A 71 -2.349 -1.626 6.907 1.00 7.17 H new ATOM 0 HG22 VAL A 71 -3.615 -2.474 7.826 1.00 7.17 H new ATOM 0 HG23 VAL A 71 -3.981 -0.926 7.029 1.00 7.17 H new ATOM 1049 N LEU A 72 -5.853 -2.109 9.552 1.00 6.60 N ATOM 1050 CA LEU A 72 -6.584 -3.347 9.768 1.00 6.50 C ATOM 1051 C LEU A 72 -6.743 -4.087 8.446 1.00 6.09 C ATOM 1052 O LEU A 72 -7.258 -3.533 7.471 1.00 5.82 O ATOM 1053 CB LEU A 72 -7.957 -3.064 10.380 1.00 6.93 C ATOM 1054 CG LEU A 72 -8.702 -4.298 10.888 1.00 7.33 C ATOM 1055 CD1 LEU A 72 -8.021 -4.861 12.128 1.00 7.61 C ATOM 1056 CD2 LEU A 72 -10.155 -3.960 11.179 1.00 7.80 C ATOM 0 H LEU A 72 -6.336 -1.435 8.958 1.00 6.60 H new ATOM 0 HA LEU A 72 -6.021 -3.969 10.464 1.00 6.50 H new ATOM 0 HB2 LEU A 72 -7.833 -2.366 11.208 1.00 6.93 H new ATOM 0 HB3 LEU A 72 -8.576 -2.566 9.634 1.00 6.93 H new ATOM 0 HG LEU A 72 -8.677 -5.061 10.110 1.00 7.33 H new ATOM 0 HD11 LEU A 72 -8.566 -5.739 12.475 1.00 7.61 H new ATOM 0 HD12 LEU A 72 -6.996 -5.142 11.884 1.00 7.61 H new ATOM 0 HD13 LEU A 72 -8.013 -4.105 12.913 1.00 7.61 H new ATOM 0 HD21 LEU A 72 -10.670 -4.850 11.540 1.00 7.80 H new ATOM 0 HD22 LEU A 72 -10.202 -3.180 11.939 1.00 7.80 H new ATOM 0 HD23 LEU A 72 -10.636 -3.607 10.267 1.00 7.80 H new ATOM 1068 N SER A 73 -6.285 -5.326 8.415 1.00 6.37 N ATOM 1069 CA SER A 73 -6.363 -6.140 7.215 1.00 6.44 C ATOM 1070 C SER A 73 -7.640 -6.980 7.197 1.00 6.58 C ATOM 1071 O SER A 73 -7.847 -7.829 8.064 1.00 7.12 O ATOM 1072 CB SER A 73 -5.132 -7.048 7.138 1.00 7.06 C ATOM 1073 OG SER A 73 -4.069 -6.528 7.927 1.00 7.59 O ATOM 0 H SER A 73 -5.853 -5.793 9.212 1.00 6.37 H new ATOM 0 HA SER A 73 -6.388 -5.480 6.348 1.00 6.44 H new ATOM 0 HB2 SER A 73 -5.391 -8.049 7.483 1.00 7.06 H new ATOM 0 HB3 SER A 73 -4.809 -7.142 6.101 1.00 7.06 H new ATOM 0 HG SER A 73 -3.294 -7.124 7.865 1.00 7.59 H new ATOM 1079 N VAL A 74 -8.501 -6.726 6.219 1.00 6.36 N ATOM 1080 CA VAL A 74 -9.748 -7.469 6.083 1.00 6.77 C ATOM 1081 C VAL A 74 -9.789 -8.192 4.737 1.00 6.50 C ATOM 1082 O VAL A 74 -9.651 -7.577 3.681 1.00 6.07 O ATOM 1083 CB VAL A 74 -10.990 -6.553 6.241 1.00 7.13 C ATOM 1084 CG1 VAL A 74 -10.900 -5.332 5.336 1.00 6.85 C ATOM 1085 CG2 VAL A 74 -12.274 -7.330 5.973 1.00 7.84 C ATOM 0 H VAL A 74 -8.358 -6.010 5.507 1.00 6.36 H new ATOM 0 HA VAL A 74 -9.781 -8.204 6.887 1.00 6.77 H new ATOM 0 HB VAL A 74 -11.011 -6.200 7.272 1.00 7.13 H new ATOM 0 HG11 VAL A 74 -11.786 -4.712 5.472 1.00 6.85 H new ATOM 0 HG12 VAL A 74 -10.011 -4.755 5.591 1.00 6.85 H new ATOM 0 HG13 VAL A 74 -10.838 -5.653 4.296 1.00 6.85 H new ATOM 0 HG21 VAL A 74 -13.131 -6.667 6.090 1.00 7.84 H new ATOM 0 HG22 VAL A 74 -12.256 -7.724 4.957 1.00 7.84 H new ATOM 0 HG23 VAL A 74 -12.354 -8.155 6.681 1.00 7.84 H new ATOM 1095 N MET A 75 -9.954 -9.503 4.782 1.00 7.05 N ATOM 1096 CA MET A 75 -9.999 -10.307 3.573 1.00 7.23 C ATOM 1097 C MET A 75 -11.435 -10.650 3.193 1.00 7.58 C ATOM 1098 O MET A 75 -12.197 -11.172 4.011 1.00 8.07 O ATOM 1099 CB MET A 75 -9.194 -11.594 3.757 1.00 7.58 C ATOM 1100 CG MET A 75 -9.045 -12.404 2.481 1.00 8.16 C ATOM 1101 SD MET A 75 -8.479 -14.087 2.790 1.00 8.88 S ATOM 1102 CE MET A 75 -8.010 -14.593 1.139 1.00 9.35 C ATOM 0 H MET A 75 -10.059 -10.035 5.646 1.00 7.05 H new ATOM 0 HA MET A 75 -9.559 -9.719 2.768 1.00 7.23 H new ATOM 0 HB2 MET A 75 -8.203 -11.342 4.136 1.00 7.58 H new ATOM 0 HB3 MET A 75 -9.678 -12.210 4.515 1.00 7.58 H new ATOM 0 HG2 MET A 75 -10.003 -12.436 1.962 1.00 8.16 H new ATOM 0 HG3 MET A 75 -8.340 -11.903 1.818 1.00 8.16 H new ATOM 0 HE1 MET A 75 -7.153 -15.264 1.194 1.00 9.35 H new ATOM 0 HE2 MET A 75 -8.845 -15.109 0.666 1.00 9.35 H new ATOM 0 HE3 MET A 75 -7.746 -13.714 0.550 1.00 9.35 H new ATOM 1112 N PHE A 76 -11.791 -10.357 1.951 1.00 7.53 N ATOM 1113 CA PHE A 76 -13.128 -10.631 1.438 1.00 7.96 C ATOM 1114 C PHE A 76 -13.074 -10.802 -0.075 1.00 8.18 C ATOM 1115 O PHE A 76 -12.000 -10.718 -0.676 1.00 8.37 O ATOM 1116 CB PHE A 76 -14.091 -9.493 1.809 1.00 7.98 C ATOM 1117 CG PHE A 76 -13.698 -8.156 1.245 1.00 8.18 C ATOM 1118 CD1 PHE A 76 -12.769 -7.363 1.896 1.00 8.46 C ATOM 1119 CD2 PHE A 76 -14.253 -7.698 0.061 1.00 8.59 C ATOM 1120 CE1 PHE A 76 -12.403 -6.138 1.378 1.00 9.07 C ATOM 1121 CE2 PHE A 76 -13.891 -6.474 -0.461 1.00 9.23 C ATOM 1122 CZ PHE A 76 -12.963 -5.692 0.197 1.00 9.66 C ATOM 0 H PHE A 76 -11.165 -9.924 1.272 1.00 7.53 H new ATOM 0 HA PHE A 76 -13.496 -11.553 1.889 1.00 7.96 H new ATOM 0 HB2 PHE A 76 -15.091 -9.746 1.456 1.00 7.98 H new ATOM 0 HB3 PHE A 76 -14.147 -9.416 2.895 1.00 7.98 H new ATOM 0 HD1 PHE A 76 -12.326 -7.707 2.819 1.00 8.46 H new ATOM 0 HD2 PHE A 76 -14.978 -8.307 -0.459 1.00 8.59 H new ATOM 0 HE1 PHE A 76 -11.678 -5.528 1.896 1.00 9.07 H new ATOM 0 HE2 PHE A 76 -14.333 -6.128 -1.384 1.00 9.23 H new ATOM 0 HZ PHE A 76 -12.676 -4.734 -0.211 1.00 9.66 H new ATOM 1132 N ARG A 77 -14.222 -11.049 -0.690 1.00 8.33 N ATOM 1133 CA ARG A 77 -14.285 -11.213 -2.134 1.00 8.76 C ATOM 1134 C ARG A 77 -14.792 -9.931 -2.782 1.00 8.37 C ATOM 1135 O ARG A 77 -15.900 -9.473 -2.497 1.00 8.58 O ATOM 1136 CB ARG A 77 -15.174 -12.400 -2.514 1.00 9.53 C ATOM 1137 CG ARG A 77 -14.383 -13.654 -2.855 1.00 10.38 C ATOM 1138 CD ARG A 77 -15.281 -14.766 -3.372 1.00 11.13 C ATOM 1139 NE ARG A 77 -15.872 -15.550 -2.288 1.00 11.57 N ATOM 1140 CZ ARG A 77 -16.427 -16.752 -2.446 1.00 12.50 C ATOM 1141 NH1 ARG A 77 -16.493 -17.307 -3.649 1.00 13.10 N ATOM 1142 NH2 ARG A 77 -16.908 -17.403 -1.393 1.00 12.92 N ATOM 0 H ARG A 77 -15.119 -11.140 -0.213 1.00 8.33 H new ATOM 0 HA ARG A 77 -13.280 -11.420 -2.502 1.00 8.76 H new ATOM 0 HB2 ARG A 77 -15.851 -12.618 -1.688 1.00 9.53 H new ATOM 0 HB3 ARG A 77 -15.792 -12.124 -3.368 1.00 9.53 H new ATOM 0 HG2 ARG A 77 -13.631 -13.416 -3.607 1.00 10.38 H new ATOM 0 HG3 ARG A 77 -13.850 -14.000 -1.969 1.00 10.38 H new ATOM 0 HD2 ARG A 77 -16.076 -14.335 -3.981 1.00 11.13 H new ATOM 0 HD3 ARG A 77 -14.704 -15.424 -4.021 1.00 11.13 H new ATOM 0 HE ARG A 77 -15.859 -15.151 -1.349 1.00 11.57 H new ATOM 0 HH11 ARG A 77 -16.118 -16.814 -4.459 1.00 13.10 H new ATOM 0 HH12 ARG A 77 -16.919 -18.227 -3.764 1.00 13.10 H new ATOM 0 HH21 ARG A 77 -16.853 -16.983 -0.465 1.00 12.92 H new ATOM 0 HH22 ARG A 77 -17.333 -18.323 -1.512 1.00 12.92 H new ATOM 1156 N PHE A 78 -13.970 -9.355 -3.642 1.00 8.00 N ATOM 1157 CA PHE A 78 -14.307 -8.115 -4.326 1.00 7.81 C ATOM 1158 C PHE A 78 -14.677 -8.391 -5.779 1.00 7.97 C ATOM 1159 O PHE A 78 -14.193 -9.353 -6.377 1.00 8.21 O ATOM 1160 CB PHE A 78 -13.119 -7.150 -4.258 1.00 8.16 C ATOM 1161 CG PHE A 78 -13.474 -5.711 -4.524 1.00 8.43 C ATOM 1162 CD1 PHE A 78 -14.201 -4.984 -3.596 1.00 8.53 C ATOM 1163 CD2 PHE A 78 -13.073 -5.085 -5.694 1.00 8.83 C ATOM 1164 CE1 PHE A 78 -14.522 -3.660 -3.829 1.00 8.94 C ATOM 1165 CE2 PHE A 78 -13.390 -3.761 -5.932 1.00 9.26 C ATOM 1166 CZ PHE A 78 -14.115 -3.048 -4.999 1.00 9.28 C ATOM 0 H PHE A 78 -13.054 -9.730 -3.886 1.00 8.00 H new ATOM 0 HA PHE A 78 -15.167 -7.662 -3.832 1.00 7.81 H new ATOM 0 HB2 PHE A 78 -12.663 -7.223 -3.271 1.00 8.16 H new ATOM 0 HB3 PHE A 78 -12.367 -7.466 -4.981 1.00 8.16 H new ATOM 0 HD1 PHE A 78 -14.521 -5.457 -2.679 1.00 8.53 H new ATOM 0 HD2 PHE A 78 -12.506 -5.638 -6.428 1.00 8.83 H new ATOM 0 HE1 PHE A 78 -15.090 -3.105 -3.098 1.00 8.94 H new ATOM 0 HE2 PHE A 78 -13.071 -3.285 -6.847 1.00 9.26 H new ATOM 0 HZ PHE A 78 -14.364 -2.013 -5.183 1.00 9.28 H new ATOM 1176 N ARG A 79 -15.540 -7.553 -6.335 1.00 7.99 N ATOM 1177 CA ARG A 79 -15.974 -7.700 -7.715 1.00 8.38 C ATOM 1178 C ARG A 79 -15.007 -6.999 -8.657 1.00 8.66 C ATOM 1179 O ARG A 79 -14.602 -5.864 -8.414 1.00 8.73 O ATOM 1180 CB ARG A 79 -17.381 -7.121 -7.900 1.00 8.53 C ATOM 1181 CG ARG A 79 -18.039 -7.517 -9.212 1.00 9.41 C ATOM 1182 CD ARG A 79 -19.468 -7.006 -9.301 1.00 9.82 C ATOM 1183 NE ARG A 79 -19.551 -5.671 -9.904 1.00 10.05 N ATOM 1184 CZ ARG A 79 -20.520 -4.790 -9.632 1.00 10.46 C ATOM 1185 NH1 ARG A 79 -21.475 -5.097 -8.762 1.00 10.67 N ATOM 1186 NH2 ARG A 79 -20.532 -3.604 -10.235 1.00 10.87 N ATOM 0 H ARG A 79 -15.955 -6.759 -5.847 1.00 7.99 H new ATOM 0 HA ARG A 79 -15.992 -8.764 -7.952 1.00 8.38 H new ATOM 0 HB2 ARG A 79 -18.011 -7.451 -7.074 1.00 8.53 H new ATOM 0 HB3 ARG A 79 -17.327 -6.034 -7.845 1.00 8.53 H new ATOM 0 HG2 ARG A 79 -17.458 -7.120 -10.045 1.00 9.41 H new ATOM 0 HG3 ARG A 79 -18.034 -8.603 -9.308 1.00 9.41 H new ATOM 0 HD2 ARG A 79 -20.064 -7.704 -9.889 1.00 9.82 H new ATOM 0 HD3 ARG A 79 -19.903 -6.978 -8.302 1.00 9.82 H new ATOM 0 HE ARG A 79 -18.828 -5.399 -10.569 1.00 10.05 H new ATOM 0 HH11 ARG A 79 -21.471 -6.006 -8.300 1.00 10.67 H new ATOM 0 HH12 ARG A 79 -22.213 -4.424 -8.556 1.00 10.67 H new ATOM 0 HH21 ARG A 79 -19.802 -3.366 -10.906 1.00 10.87 H new ATOM 0 HH22 ARG A 79 -21.272 -2.933 -10.026 1.00 10.87 H new ATOM 1200 N SER A 80 -14.626 -7.685 -9.716 1.00 9.00 N ATOM 1201 CA SER A 80 -13.724 -7.118 -10.699 1.00 9.50 C ATOM 1202 C SER A 80 -14.527 -6.474 -11.820 1.00 9.93 C ATOM 1203 O SER A 80 -15.757 -6.427 -11.767 1.00 10.23 O ATOM 1204 CB SER A 80 -12.831 -8.212 -11.276 1.00 10.33 C ATOM 1205 OG SER A 80 -13.578 -9.066 -12.126 1.00 10.77 O ATOM 0 H SER A 80 -14.928 -8.638 -9.918 1.00 9.00 H new ATOM 0 HA SER A 80 -13.102 -6.363 -10.218 1.00 9.50 H new ATOM 0 HB2 SER A 80 -12.009 -7.762 -11.834 1.00 10.33 H new ATOM 0 HB3 SER A 80 -12.387 -8.792 -10.467 1.00 10.33 H new ATOM 0 HG SER A 80 -12.971 -9.684 -12.584 1.00 10.77 H new ATOM 1211 N LYS A 81 -13.834 -5.995 -12.843 1.00 10.16 N ATOM 1212 CA LYS A 81 -14.490 -5.386 -13.988 1.00 10.81 C ATOM 1213 C LYS A 81 -15.177 -6.468 -14.825 1.00 11.44 C ATOM 1214 O LYS A 81 -16.022 -6.180 -15.670 1.00 11.77 O ATOM 1215 CB LYS A 81 -13.468 -4.621 -14.834 1.00 11.28 C ATOM 1216 CG LYS A 81 -14.089 -3.763 -15.925 1.00 11.83 C ATOM 1217 CD LYS A 81 -15.120 -2.806 -15.354 1.00 11.83 C ATOM 1218 CE LYS A 81 -15.960 -2.167 -16.445 1.00 12.62 C ATOM 1219 NZ LYS A 81 -17.154 -1.491 -15.881 1.00 12.66 N ATOM 0 H LYS A 81 -12.816 -6.017 -12.902 1.00 10.16 H new ATOM 0 HA LYS A 81 -15.244 -4.681 -13.638 1.00 10.81 H new ATOM 0 HB2 LYS A 81 -12.873 -3.984 -14.179 1.00 11.28 H new ATOM 0 HB3 LYS A 81 -12.784 -5.335 -15.292 1.00 11.28 H new ATOM 0 HG2 LYS A 81 -13.309 -3.198 -16.435 1.00 11.83 H new ATOM 0 HG3 LYS A 81 -14.558 -4.404 -16.672 1.00 11.83 H new ATOM 0 HD2 LYS A 81 -15.770 -3.342 -14.662 1.00 11.83 H new ATOM 0 HD3 LYS A 81 -14.616 -2.028 -14.781 1.00 11.83 H new ATOM 0 HE2 LYS A 81 -15.357 -1.445 -16.995 1.00 12.62 H new ATOM 0 HE3 LYS A 81 -16.274 -2.929 -17.158 1.00 12.62 H new ATOM 0 HZ1 LYS A 81 -17.943 -1.560 -16.555 1.00 12.66 H new ATOM 0 HZ2 LYS A 81 -17.422 -1.949 -14.987 1.00 12.66 H new ATOM 0 HZ3 LYS A 81 -16.935 -0.490 -15.705 1.00 12.66 H new ATOM 1233 N ASN A 82 -14.814 -7.719 -14.561 1.00 11.74 N ATOM 1234 CA ASN A 82 -15.384 -8.860 -15.268 1.00 12.49 C ATOM 1235 C ASN A 82 -16.539 -9.440 -14.463 1.00 12.28 C ATOM 1236 O ASN A 82 -17.100 -10.478 -14.817 1.00 12.86 O ATOM 1237 CB ASN A 82 -14.316 -9.936 -15.501 1.00 13.32 C ATOM 1238 CG ASN A 82 -13.006 -9.359 -16.007 1.00 13.91 C ATOM 1239 OD1 ASN A 82 -12.941 -8.779 -17.093 1.00 14.05 O ATOM 1240 ND2 ASN A 82 -11.949 -9.523 -15.224 1.00 14.42 N ATOM 0 H ASN A 82 -14.121 -7.969 -13.856 1.00 11.74 H new ATOM 0 HA ASN A 82 -15.753 -8.523 -16.236 1.00 12.49 H new ATOM 0 HB2 ASN A 82 -14.137 -10.472 -14.569 1.00 13.32 H new ATOM 0 HB3 ASN A 82 -14.690 -10.664 -16.221 1.00 13.32 H new ATOM 0 HD21 ASN A 82 -11.039 -9.163 -15.513 1.00 14.42 H new ATOM 0 HD22 ASN A 82 -12.045 -10.009 -14.332 1.00 14.42 H new ATOM 1247 N GLN A 83 -16.868 -8.753 -13.366 1.00 11.60 N ATOM 1248 CA GLN A 83 -17.957 -9.144 -12.471 1.00 11.56 C ATOM 1249 C GLN A 83 -17.646 -10.440 -11.722 1.00 11.14 C ATOM 1250 O GLN A 83 -18.553 -11.134 -11.264 1.00 11.21 O ATOM 1251 CB GLN A 83 -19.277 -9.272 -13.239 1.00 12.34 C ATOM 1252 CG GLN A 83 -20.069 -7.974 -13.323 1.00 12.60 C ATOM 1253 CD GLN A 83 -19.276 -6.829 -13.926 1.00 12.46 C ATOM 1254 OE1 GLN A 83 -18.656 -6.040 -13.212 1.00 12.29 O ATOM 1255 NE2 GLN A 83 -19.288 -6.732 -15.246 1.00 12.69 N ATOM 0 H GLN A 83 -16.383 -7.905 -13.073 1.00 11.60 H new ATOM 0 HA GLN A 83 -18.060 -8.353 -11.728 1.00 11.56 H new ATOM 0 HB2 GLN A 83 -19.066 -9.624 -14.249 1.00 12.34 H new ATOM 0 HB3 GLN A 83 -19.893 -10.032 -12.759 1.00 12.34 H new ATOM 0 HG2 GLN A 83 -20.966 -8.141 -13.920 1.00 12.60 H new ATOM 0 HG3 GLN A 83 -20.400 -7.692 -12.323 1.00 12.60 H new ATOM 0 HE21 GLN A 83 -19.814 -7.406 -15.802 1.00 12.69 H new ATOM 0 HE22 GLN A 83 -18.771 -5.983 -15.707 1.00 12.69 H new ATOM 1264 N GLU A 84 -16.365 -10.751 -11.583 1.00 10.85 N ATOM 1265 CA GLU A 84 -15.954 -11.954 -10.867 1.00 10.56 C ATOM 1266 C GLU A 84 -15.664 -11.613 -9.407 1.00 10.07 C ATOM 1267 O GLU A 84 -15.470 -10.444 -9.068 1.00 10.08 O ATOM 1268 CB GLU A 84 -14.719 -12.580 -11.530 1.00 10.45 C ATOM 1269 CG GLU A 84 -13.400 -11.951 -11.104 1.00 10.43 C ATOM 1270 CD GLU A 84 -12.337 -12.023 -12.180 1.00 10.44 C ATOM 1271 OE1 GLU A 84 -12.324 -11.149 -13.070 1.00 10.24 O ATOM 1272 OE2 GLU A 84 -11.506 -12.949 -12.139 1.00 10.71 O ATOM 0 H GLU A 84 -15.596 -10.193 -11.953 1.00 10.85 H new ATOM 0 HA GLU A 84 -16.764 -12.682 -10.905 1.00 10.56 H new ATOM 0 HB2 GLU A 84 -14.694 -13.644 -11.296 1.00 10.45 H new ATOM 0 HB3 GLU A 84 -14.818 -12.494 -12.612 1.00 10.45 H new ATOM 0 HG2 GLU A 84 -13.570 -10.908 -10.838 1.00 10.43 H new ATOM 0 HG3 GLU A 84 -13.037 -12.453 -10.207 1.00 10.43 H new ATOM 1279 N TRP A 85 -15.642 -12.626 -8.550 1.00 9.78 N ATOM 1280 CA TRP A 85 -15.370 -12.418 -7.135 1.00 9.50 C ATOM 1281 C TRP A 85 -13.976 -12.924 -6.785 1.00 9.40 C ATOM 1282 O TRP A 85 -13.742 -14.134 -6.713 1.00 9.53 O ATOM 1283 CB TRP A 85 -16.415 -13.131 -6.271 1.00 9.93 C ATOM 1284 CG TRP A 85 -17.819 -12.674 -6.516 1.00 10.24 C ATOM 1285 CD1 TRP A 85 -18.833 -13.405 -7.060 1.00 10.93 C ATOM 1286 CD2 TRP A 85 -18.369 -11.383 -6.225 1.00 10.07 C ATOM 1287 NE1 TRP A 85 -19.979 -12.654 -7.120 1.00 11.20 N ATOM 1288 CE2 TRP A 85 -19.720 -11.407 -6.616 1.00 10.68 C ATOM 1289 CE3 TRP A 85 -17.851 -10.211 -5.669 1.00 9.65 C ATOM 1290 CZ2 TRP A 85 -20.560 -10.306 -6.470 1.00 10.85 C ATOM 1291 CZ3 TRP A 85 -18.684 -9.118 -5.526 1.00 9.84 C ATOM 1292 CH2 TRP A 85 -20.025 -9.172 -5.923 1.00 10.42 C ATOM 0 H TRP A 85 -15.809 -13.598 -8.810 1.00 9.78 H new ATOM 0 HA TRP A 85 -15.422 -11.348 -6.932 1.00 9.50 H new ATOM 0 HB2 TRP A 85 -16.355 -14.203 -6.457 1.00 9.93 H new ATOM 0 HB3 TRP A 85 -16.171 -12.975 -5.220 1.00 9.93 H new ATOM 0 HD1 TRP A 85 -18.746 -14.428 -7.395 1.00 10.93 H new ATOM 0 HE1 TRP A 85 -20.878 -12.972 -7.481 1.00 11.20 H new ATOM 0 HE3 TRP A 85 -16.818 -10.160 -5.357 1.00 9.65 H new ATOM 0 HZ2 TRP A 85 -21.595 -10.346 -6.777 1.00 10.85 H new ATOM 0 HZ3 TRP A 85 -18.293 -8.206 -5.100 1.00 9.84 H new ATOM 0 HH2 TRP A 85 -20.650 -8.301 -5.795 1.00 10.42 H new ATOM 1303 N LEU A 86 -13.056 -11.999 -6.571 1.00 9.37 N ATOM 1304 CA LEU A 86 -11.681 -12.349 -6.239 1.00 9.51 C ATOM 1305 C LEU A 86 -11.397 -12.094 -4.763 1.00 8.86 C ATOM 1306 O LEU A 86 -11.972 -11.188 -4.160 1.00 8.45 O ATOM 1307 CB LEU A 86 -10.711 -11.547 -7.111 1.00 10.04 C ATOM 1308 CG LEU A 86 -10.926 -10.032 -7.110 1.00 10.26 C ATOM 1309 CD1 LEU A 86 -9.914 -9.342 -6.207 1.00 10.30 C ATOM 1310 CD2 LEU A 86 -10.840 -9.482 -8.525 1.00 11.12 C ATOM 0 H LEU A 86 -13.235 -10.996 -6.621 1.00 9.37 H new ATOM 0 HA LEU A 86 -11.540 -13.412 -6.434 1.00 9.51 H new ATOM 0 HB2 LEU A 86 -9.694 -11.753 -6.777 1.00 10.04 H new ATOM 0 HB3 LEU A 86 -10.789 -11.907 -8.137 1.00 10.04 H new ATOM 0 HG LEU A 86 -11.923 -9.830 -6.719 1.00 10.26 H new ATOM 0 HD11 LEU A 86 -10.087 -8.266 -6.223 1.00 10.30 H new ATOM 0 HD12 LEU A 86 -10.024 -9.712 -5.188 1.00 10.30 H new ATOM 0 HD13 LEU A 86 -8.906 -9.553 -6.563 1.00 10.30 H new ATOM 0 HD21 LEU A 86 -10.995 -8.403 -8.506 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -9.856 -9.700 -8.941 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -11.607 -9.948 -9.144 1.00 11.12 H new ATOM 1322 N TRP A 87 -10.514 -12.897 -4.188 1.00 8.98 N ATOM 1323 CA TRP A 87 -10.146 -12.757 -2.787 1.00 8.61 C ATOM 1324 C TRP A 87 -9.109 -11.654 -2.627 1.00 8.55 C ATOM 1325 O TRP A 87 -7.997 -11.750 -3.154 1.00 9.23 O ATOM 1326 CB TRP A 87 -9.595 -14.076 -2.241 1.00 9.13 C ATOM 1327 CG TRP A 87 -10.630 -15.151 -2.112 1.00 9.35 C ATOM 1328 CD1 TRP A 87 -10.917 -16.122 -3.024 1.00 9.76 C ATOM 1329 CD2 TRP A 87 -11.510 -15.366 -1.004 1.00 9.44 C ATOM 1330 NE1 TRP A 87 -11.925 -16.928 -2.552 1.00 10.06 N ATOM 1331 CE2 TRP A 87 -12.305 -16.485 -1.313 1.00 9.89 C ATOM 1332 CE3 TRP A 87 -11.703 -14.719 0.221 1.00 9.42 C ATOM 1333 CZ2 TRP A 87 -13.276 -16.971 -0.442 1.00 10.28 C ATOM 1334 CZ3 TRP A 87 -12.667 -15.205 1.084 1.00 9.85 C ATOM 1335 CH2 TRP A 87 -13.443 -16.320 0.749 1.00 10.26 C ATOM 0 H TRP A 87 -10.037 -13.657 -4.673 1.00 8.98 H new ATOM 0 HA TRP A 87 -11.039 -12.492 -2.220 1.00 8.61 H new ATOM 0 HB2 TRP A 87 -8.799 -14.427 -2.897 1.00 9.13 H new ATOM 0 HB3 TRP A 87 -9.147 -13.896 -1.264 1.00 9.13 H new ATOM 0 HD1 TRP A 87 -10.425 -16.241 -3.978 1.00 9.76 H new ATOM 0 HE1 TRP A 87 -12.325 -17.727 -3.044 1.00 10.06 H new ATOM 0 HE3 TRP A 87 -11.110 -13.856 0.487 1.00 9.42 H new ATOM 0 HZ2 TRP A 87 -13.876 -17.832 -0.698 1.00 10.28 H new ATOM 0 HZ3 TRP A 87 -12.824 -14.715 2.034 1.00 9.85 H new ATOM 0 HH2 TRP A 87 -14.189 -16.674 1.445 1.00 10.26 H new ATOM 1346 N MET A 88 -9.471 -10.613 -1.900 1.00 7.94 N ATOM 1347 CA MET A 88 -8.577 -9.489 -1.693 1.00 7.99 C ATOM 1348 C MET A 88 -8.485 -9.123 -0.217 1.00 7.92 C ATOM 1349 O MET A 88 -9.472 -9.193 0.514 1.00 7.76 O ATOM 1350 CB MET A 88 -9.063 -8.289 -2.507 1.00 8.19 C ATOM 1351 CG MET A 88 -8.135 -7.090 -2.454 1.00 8.29 C ATOM 1352 SD MET A 88 -7.900 -6.327 -4.071 1.00 8.99 S ATOM 1353 CE MET A 88 -9.594 -5.976 -4.533 1.00 9.32 C ATOM 0 H MET A 88 -10.378 -10.523 -1.443 1.00 7.94 H new ATOM 0 HA MET A 88 -7.580 -9.775 -2.028 1.00 7.99 H new ATOM 0 HB2 MET A 88 -9.187 -8.594 -3.546 1.00 8.19 H new ATOM 0 HB3 MET A 88 -10.046 -7.991 -2.143 1.00 8.19 H new ATOM 0 HG2 MET A 88 -8.540 -6.351 -1.763 1.00 8.29 H new ATOM 0 HG3 MET A 88 -7.168 -7.400 -2.058 1.00 8.29 H new ATOM 0 HE1 MET A 88 -9.606 -5.262 -5.357 1.00 9.32 H new ATOM 0 HE2 MET A 88 -10.085 -6.898 -4.845 1.00 9.32 H new ATOM 0 HE3 MET A 88 -10.124 -5.554 -3.679 1.00 9.32 H new ATOM 1363 N ARG A 89 -7.283 -8.764 0.213 1.00 8.22 N ATOM 1364 CA ARG A 89 -7.038 -8.363 1.589 1.00 8.32 C ATOM 1365 C ARG A 89 -6.911 -6.848 1.657 1.00 8.38 C ATOM 1366 O ARG A 89 -5.869 -6.286 1.316 1.00 8.80 O ATOM 1367 CB ARG A 89 -5.762 -9.019 2.124 1.00 8.70 C ATOM 1368 CG ARG A 89 -5.579 -8.852 3.624 1.00 8.73 C ATOM 1369 CD ARG A 89 -4.112 -8.874 4.014 1.00 9.56 C ATOM 1370 NE ARG A 89 -3.497 -7.550 3.919 1.00 9.63 N ATOM 1371 CZ ARG A 89 -2.415 -7.179 4.607 1.00 10.18 C ATOM 1372 NH1 ARG A 89 -1.825 -8.023 5.450 1.00 10.66 N ATOM 1373 NH2 ARG A 89 -1.937 -5.954 4.465 1.00 10.44 N ATOM 0 H ARG A 89 -6.454 -8.743 -0.381 1.00 8.22 H new ATOM 0 HA ARG A 89 -7.875 -8.689 2.207 1.00 8.32 H new ATOM 0 HB2 ARG A 89 -5.781 -10.082 1.884 1.00 8.70 H new ATOM 0 HB3 ARG A 89 -4.900 -8.592 1.611 1.00 8.70 H new ATOM 0 HG2 ARG A 89 -6.027 -7.911 3.943 1.00 8.73 H new ATOM 0 HG3 ARG A 89 -6.107 -9.650 4.147 1.00 8.73 H new ATOM 0 HD2 ARG A 89 -4.014 -9.246 5.034 1.00 9.56 H new ATOM 0 HD3 ARG A 89 -3.576 -9.569 3.368 1.00 9.56 H new ATOM 0 HE ARG A 89 -3.921 -6.869 3.289 1.00 9.63 H new ATOM 0 HH11 ARG A 89 -2.199 -8.964 5.575 1.00 10.66 H new ATOM 0 HH12 ARG A 89 -0.999 -7.729 5.971 1.00 10.66 H new ATOM 0 HH21 ARG A 89 -2.395 -5.298 3.832 1.00 10.44 H new ATOM 0 HH22 ARG A 89 -1.110 -5.665 4.988 1.00 10.44 H new ATOM 1387 N THR A 90 -7.973 -6.192 2.073 1.00 8.13 N ATOM 1388 CA THR A 90 -7.986 -4.748 2.168 1.00 8.31 C ATOM 1389 C THR A 90 -7.357 -4.267 3.474 1.00 7.80 C ATOM 1390 O THR A 90 -7.864 -4.534 4.563 1.00 7.13 O ATOM 1391 CB THR A 90 -9.423 -4.207 2.041 1.00 8.83 C ATOM 1392 OG1 THR A 90 -9.905 -4.450 0.713 1.00 9.37 O ATOM 1393 CG2 THR A 90 -9.490 -2.715 2.343 1.00 9.12 C ATOM 0 H THR A 90 -8.845 -6.640 2.353 1.00 8.13 H new ATOM 0 HA THR A 90 -7.388 -4.361 1.343 1.00 8.31 H new ATOM 0 HB THR A 90 -10.047 -4.725 2.770 1.00 8.83 H new ATOM 0 HG1 THR A 90 -9.635 -3.712 0.127 1.00 9.37 H new ATOM 0 HG21 THR A 90 -10.519 -2.369 2.243 1.00 9.12 H new ATOM 0 HG22 THR A 90 -9.143 -2.534 3.360 1.00 9.12 H new ATOM 0 HG23 THR A 90 -8.856 -2.173 1.642 1.00 9.12 H new ATOM 1401 N SER A 91 -6.230 -3.588 3.350 1.00 8.27 N ATOM 1402 CA SER A 91 -5.532 -3.036 4.496 1.00 8.04 C ATOM 1403 C SER A 91 -6.018 -1.608 4.723 1.00 8.00 C ATOM 1404 O SER A 91 -5.489 -0.662 4.142 1.00 8.20 O ATOM 1405 CB SER A 91 -4.023 -3.067 4.248 1.00 7.83 C ATOM 1406 OG SER A 91 -3.670 -4.160 3.406 1.00 8.08 O ATOM 0 H SER A 91 -5.775 -3.405 2.456 1.00 8.27 H new ATOM 0 HA SER A 91 -5.739 -3.630 5.386 1.00 8.04 H new ATOM 0 HB2 SER A 91 -3.706 -2.131 3.788 1.00 7.83 H new ATOM 0 HB3 SER A 91 -3.496 -3.149 5.198 1.00 7.83 H new ATOM 0 HG SER A 91 -3.915 -3.952 2.480 1.00 8.08 H new ATOM 1412 N SER A 92 -7.045 -1.467 5.545 1.00 7.99 N ATOM 1413 CA SER A 92 -7.635 -0.167 5.819 1.00 8.16 C ATOM 1414 C SER A 92 -6.852 0.601 6.879 1.00 8.34 C ATOM 1415 O SER A 92 -6.523 0.062 7.933 1.00 8.27 O ATOM 1416 CB SER A 92 -9.085 -0.351 6.264 1.00 8.49 C ATOM 1417 OG SER A 92 -9.784 -1.185 5.355 1.00 8.65 O ATOM 0 H SER A 92 -7.490 -2.242 6.037 1.00 7.99 H new ATOM 0 HA SER A 92 -7.601 0.421 4.902 1.00 8.16 H new ATOM 0 HB2 SER A 92 -9.112 -0.789 7.262 1.00 8.49 H new ATOM 0 HB3 SER A 92 -9.577 0.619 6.328 1.00 8.49 H new ATOM 0 HG SER A 92 -9.956 -0.693 4.525 1.00 8.65 H new ATOM 1423 N PHE A 93 -6.551 1.853 6.577 1.00 8.79 N ATOM 1424 CA PHE A 93 -5.826 2.716 7.492 1.00 9.24 C ATOM 1425 C PHE A 93 -6.597 4.016 7.697 1.00 9.05 C ATOM 1426 O PHE A 93 -6.893 4.731 6.736 1.00 8.84 O ATOM 1427 CB PHE A 93 -4.425 3.009 6.943 1.00 9.87 C ATOM 1428 CG PHE A 93 -3.665 4.045 7.724 1.00 10.37 C ATOM 1429 CD1 PHE A 93 -3.181 3.761 8.991 1.00 10.90 C ATOM 1430 CD2 PHE A 93 -3.434 5.304 7.188 1.00 10.50 C ATOM 1431 CE1 PHE A 93 -2.482 4.712 9.708 1.00 11.50 C ATOM 1432 CE2 PHE A 93 -2.735 6.258 7.902 1.00 11.09 C ATOM 1433 CZ PHE A 93 -2.258 5.961 9.162 1.00 11.56 C ATOM 0 H PHE A 93 -6.802 2.298 5.694 1.00 8.79 H new ATOM 0 HA PHE A 93 -5.724 2.211 8.453 1.00 9.24 H new ATOM 0 HB2 PHE A 93 -3.850 2.083 6.932 1.00 9.87 H new ATOM 0 HB3 PHE A 93 -4.514 3.342 5.909 1.00 9.87 H new ATOM 0 HD1 PHE A 93 -3.352 2.786 9.422 1.00 10.90 H new ATOM 0 HD2 PHE A 93 -3.805 5.541 6.202 1.00 10.50 H new ATOM 0 HE1 PHE A 93 -2.111 4.479 10.695 1.00 11.50 H new ATOM 0 HE2 PHE A 93 -2.562 7.235 7.475 1.00 11.09 H new ATOM 0 HZ PHE A 93 -1.710 6.705 9.721 1.00 11.56 H new ATOM 1443 N THR A 94 -6.943 4.306 8.943 1.00 9.35 N ATOM 1444 CA THR A 94 -7.674 5.517 9.271 1.00 9.46 C ATOM 1445 C THR A 94 -6.751 6.727 9.242 1.00 9.94 C ATOM 1446 O THR A 94 -5.864 6.868 10.088 1.00 10.16 O ATOM 1447 CB THR A 94 -8.332 5.407 10.658 1.00 9.25 C ATOM 1448 OG1 THR A 94 -7.751 4.314 11.391 1.00 9.37 O ATOM 1449 CG2 THR A 94 -9.834 5.201 10.529 1.00 9.37 C ATOM 0 H THR A 94 -6.727 3.715 9.746 1.00 9.35 H new ATOM 0 HA THR A 94 -8.454 5.643 8.520 1.00 9.46 H new ATOM 0 HB THR A 94 -8.156 6.338 11.197 1.00 9.25 H new ATOM 0 HG1 THR A 94 -8.443 3.878 11.931 1.00 9.37 H new ATOM 0 HG21 THR A 94 -10.278 5.126 11.522 1.00 9.37 H new ATOM 0 HG22 THR A 94 -10.273 6.046 9.998 1.00 9.37 H new ATOM 0 HG23 THR A 94 -10.029 4.283 9.974 1.00 9.37 H new ATOM 1457 N PHE A 95 -6.958 7.598 8.266 1.00 10.31 N ATOM 1458 CA PHE A 95 -6.141 8.791 8.132 1.00 10.96 C ATOM 1459 C PHE A 95 -6.638 9.874 9.082 1.00 11.35 C ATOM 1460 O PHE A 95 -7.642 10.542 8.819 1.00 11.51 O ATOM 1461 CB PHE A 95 -6.160 9.293 6.685 1.00 11.11 C ATOM 1462 CG PHE A 95 -4.919 10.041 6.291 1.00 11.84 C ATOM 1463 CD1 PHE A 95 -3.704 9.384 6.185 1.00 12.08 C ATOM 1464 CD2 PHE A 95 -4.969 11.396 6.023 1.00 11.76 C ATOM 1465 CE1 PHE A 95 -2.561 10.066 5.817 1.00 12.25 C ATOM 1466 CE2 PHE A 95 -3.830 12.085 5.654 1.00 11.93 C ATOM 1467 CZ PHE A 95 -2.625 11.419 5.552 1.00 12.11 C ATOM 0 H PHE A 95 -7.684 7.500 7.557 1.00 10.31 H new ATOM 0 HA PHE A 95 -5.112 8.543 8.393 1.00 10.96 H new ATOM 0 HB2 PHE A 95 -6.289 8.442 6.016 1.00 11.11 H new ATOM 0 HB3 PHE A 95 -7.025 9.942 6.546 1.00 11.11 H new ATOM 0 HD1 PHE A 95 -3.650 8.326 6.393 1.00 12.08 H new ATOM 0 HD2 PHE A 95 -5.909 11.922 6.103 1.00 11.76 H new ATOM 0 HE1 PHE A 95 -1.620 9.542 5.737 1.00 12.25 H new ATOM 0 HE2 PHE A 95 -3.882 13.143 5.446 1.00 11.93 H new ATOM 0 HZ PHE A 95 -1.733 11.956 5.265 1.00 12.11 H new ATOM 1477 N GLN A 96 -5.946 10.019 10.200 1.00 11.67 N ATOM 1478 CA GLN A 96 -6.310 11.006 11.202 1.00 12.26 C ATOM 1479 C GLN A 96 -5.614 12.334 10.948 1.00 12.40 C ATOM 1480 O GLN A 96 -4.533 12.385 10.358 1.00 12.58 O ATOM 1481 CB GLN A 96 -5.947 10.507 12.601 1.00 12.87 C ATOM 1482 CG GLN A 96 -6.821 9.375 13.102 1.00 13.00 C ATOM 1483 CD GLN A 96 -6.711 9.203 14.600 1.00 13.42 C ATOM 1484 OE1 GLN A 96 -5.842 8.488 15.096 1.00 13.10 O ATOM 1485 NE2 GLN A 96 -7.581 9.870 15.334 1.00 14.24 N ATOM 0 H GLN A 96 -5.125 9.462 10.437 1.00 11.67 H new ATOM 0 HA GLN A 96 -7.387 11.157 11.136 1.00 12.26 H new ATOM 0 HB2 GLN A 96 -4.909 10.176 12.598 1.00 12.87 H new ATOM 0 HB3 GLN A 96 -6.014 11.340 13.301 1.00 12.87 H new ATOM 0 HG2 GLN A 96 -7.859 9.571 12.834 1.00 13.00 H new ATOM 0 HG3 GLN A 96 -6.534 8.447 12.607 1.00 13.00 H new ATOM 0 HE21 GLN A 96 -8.287 10.453 14.884 1.00 14.24 H new ATOM 0 HE22 GLN A 96 -7.548 9.803 16.351 1.00 14.24 H new ATOM 1494 N ASN A 97 -6.246 13.401 11.401 1.00 12.50 N ATOM 1495 CA ASN A 97 -5.707 14.740 11.258 1.00 12.84 C ATOM 1496 C ASN A 97 -5.119 15.185 12.593 1.00 13.26 C ATOM 1497 O ASN A 97 -5.761 15.050 13.637 1.00 13.46 O ATOM 1498 CB ASN A 97 -6.808 15.707 10.806 1.00 12.77 C ATOM 1499 CG ASN A 97 -6.267 17.050 10.345 1.00 13.20 C ATOM 1500 OD1 ASN A 97 -6.106 17.976 11.138 1.00 13.83 O ATOM 1501 ND2 ASN A 97 -5.996 17.169 9.055 1.00 13.02 N ATOM 0 H ASN A 97 -7.147 13.363 11.878 1.00 12.50 H new ATOM 0 HA ASN A 97 -4.923 14.741 10.501 1.00 12.84 H new ATOM 0 HB2 ASN A 97 -7.373 15.251 9.993 1.00 12.77 H new ATOM 0 HB3 ASN A 97 -7.505 15.865 11.629 1.00 12.77 H new ATOM 0 HD21 ASN A 97 -5.641 18.052 8.688 1.00 13.02 H new ATOM 0 HD22 ASN A 97 -6.143 16.378 8.428 1.00 13.02 H new ATOM 1508 N PRO A 98 -3.883 15.690 12.588 1.00 13.57 N ATOM 1509 CA PRO A 98 -3.212 16.145 13.808 1.00 14.16 C ATOM 1510 C PRO A 98 -3.725 17.504 14.299 1.00 14.64 C ATOM 1511 O PRO A 98 -2.948 18.441 14.502 1.00 15.34 O ATOM 1512 CB PRO A 98 -1.746 16.233 13.382 1.00 14.43 C ATOM 1513 CG PRO A 98 -1.784 16.496 11.917 1.00 14.13 C ATOM 1514 CD PRO A 98 -3.031 15.838 11.393 1.00 13.56 C ATOM 0 HA PRO A 98 -3.388 15.473 14.648 1.00 14.16 H new ATOM 0 HB2 PRO A 98 -1.228 17.032 13.913 1.00 14.43 H new ATOM 0 HB3 PRO A 98 -1.215 15.307 13.603 1.00 14.43 H new ATOM 0 HG2 PRO A 98 -1.798 17.567 11.716 1.00 14.13 H new ATOM 0 HG3 PRO A 98 -0.898 16.091 11.428 1.00 14.13 H new ATOM 0 HD2 PRO A 98 -3.515 16.449 10.631 1.00 13.56 H new ATOM 0 HD3 PRO A 98 -2.812 14.873 10.937 1.00 13.56 H new ATOM 1522 N TYR A 99 -5.036 17.600 14.494 1.00 14.40 N ATOM 1523 CA TYR A 99 -5.655 18.833 14.962 1.00 14.96 C ATOM 1524 C TYR A 99 -6.497 18.565 16.207 1.00 14.99 C ATOM 1525 O TYR A 99 -6.311 19.197 17.246 1.00 15.65 O ATOM 1526 CB TYR A 99 -6.524 19.439 13.860 1.00 15.01 C ATOM 1527 CG TYR A 99 -6.623 20.946 13.918 1.00 14.39 C ATOM 1528 CD1 TYR A 99 -5.523 21.742 13.626 1.00 14.95 C ATOM 1529 CD2 TYR A 99 -7.814 21.574 14.258 1.00 14.52 C ATOM 1530 CE1 TYR A 99 -5.606 23.118 13.667 1.00 15.60 C ATOM 1531 CE2 TYR A 99 -7.904 22.952 14.303 1.00 15.18 C ATOM 1532 CZ TYR A 99 -6.796 23.719 14.008 1.00 16.89 C ATOM 1533 OH TYR A 99 -6.879 25.091 14.047 1.00 16.50 O ATOM 0 H TYR A 99 -5.692 16.835 14.334 1.00 14.40 H new ATOM 0 HA TYR A 99 -4.868 19.542 15.219 1.00 14.96 H new ATOM 0 HB2 TYR A 99 -6.119 19.148 12.891 1.00 15.01 H new ATOM 0 HB3 TYR A 99 -7.526 19.016 13.927 1.00 15.01 H new ATOM 0 HD1 TYR A 99 -4.586 21.275 13.362 1.00 14.95 H new ATOM 0 HD2 TYR A 99 -8.683 20.976 14.491 1.00 14.52 H new ATOM 0 HE1 TYR A 99 -4.741 23.721 13.433 1.00 15.60 H new ATOM 0 HE2 TYR A 99 -8.837 23.426 14.568 1.00 15.18 H new ATOM 0 HH TYR A 99 -7.787 25.357 14.304 1.00 16.50 H new ATOM 1543 N SER A 100 -7.428 17.629 16.088 1.00 14.39 N ATOM 1544 CA SER A 100 -8.297 17.257 17.194 1.00 14.53 C ATOM 1545 C SER A 100 -8.463 15.738 17.232 1.00 14.18 C ATOM 1546 O SER A 100 -9.434 15.218 17.791 1.00 14.16 O ATOM 1547 CB SER A 100 -9.663 17.936 17.038 1.00 14.72 C ATOM 1548 OG SER A 100 -9.603 19.006 16.101 1.00 14.89 O ATOM 0 H SER A 100 -7.601 17.109 15.228 1.00 14.39 H new ATOM 0 HA SER A 100 -7.847 17.587 18.130 1.00 14.53 H new ATOM 0 HB2 SER A 100 -10.401 17.203 16.710 1.00 14.72 H new ATOM 0 HB3 SER A 100 -9.996 18.314 18.004 1.00 14.72 H new ATOM 0 HG SER A 100 -9.753 18.658 15.197 1.00 14.89 H new ATOM 1554 N ASP A 101 -7.499 15.037 16.629 1.00 14.07 N ATOM 1555 CA ASP A 101 -7.505 13.573 16.559 1.00 13.92 C ATOM 1556 C ASP A 101 -8.715 13.092 15.756 1.00 13.12 C ATOM 1557 O ASP A 101 -9.282 12.032 16.018 1.00 13.21 O ATOM 1558 CB ASP A 101 -7.501 12.953 17.967 1.00 14.53 C ATOM 1559 CG ASP A 101 -7.093 11.491 17.967 1.00 14.57 C ATOM 1560 OD1 ASP A 101 -5.879 11.205 17.908 1.00 14.77 O ATOM 1561 OD2 ASP A 101 -7.984 10.616 18.031 1.00 14.75 O ATOM 0 H ASP A 101 -6.693 15.468 16.176 1.00 14.07 H new ATOM 0 HA ASP A 101 -6.597 13.247 16.052 1.00 13.92 H new ATOM 0 HB2 ASP A 101 -6.819 13.515 18.604 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -8.495 13.048 18.403 1.00 14.53 H new ATOM 1566 N GLU A 102 -9.102 13.880 14.764 1.00 12.49 N ATOM 1567 CA GLU A 102 -10.239 13.544 13.928 1.00 11.85 C ATOM 1568 C GLU A 102 -9.787 12.731 12.725 1.00 11.00 C ATOM 1569 O GLU A 102 -8.604 12.703 12.399 1.00 10.88 O ATOM 1570 CB GLU A 102 -10.967 14.809 13.465 1.00 11.92 C ATOM 1571 CG GLU A 102 -10.114 15.755 12.632 1.00 12.55 C ATOM 1572 CD GLU A 102 -9.318 16.729 13.475 1.00 12.62 C ATOM 1573 OE1 GLU A 102 -8.245 16.349 13.975 1.00 12.82 O ATOM 1574 OE2 GLU A 102 -9.767 17.882 13.642 1.00 12.95 O ATOM 0 H GLU A 102 -8.643 14.758 14.520 1.00 12.49 H new ATOM 0 HA GLU A 102 -10.932 12.946 14.520 1.00 11.85 H new ATOM 0 HB2 GLU A 102 -11.841 14.518 12.882 1.00 11.92 H new ATOM 0 HB3 GLU A 102 -11.332 15.345 14.341 1.00 11.92 H new ATOM 0 HG2 GLU A 102 -9.429 15.172 12.016 1.00 12.55 H new ATOM 0 HG3 GLU A 102 -10.758 16.313 11.952 1.00 12.55 H new ATOM 1581 N ILE A 103 -10.728 12.063 12.082 1.00 10.60 N ATOM 1582 CA ILE A 103 -10.434 11.256 10.907 1.00 9.97 C ATOM 1583 C ILE A 103 -11.036 11.910 9.668 1.00 9.53 C ATOM 1584 O ILE A 103 -12.248 12.112 9.599 1.00 9.56 O ATOM 1585 CB ILE A 103 -10.996 9.824 11.053 1.00 10.32 C ATOM 1586 CG1 ILE A 103 -10.524 9.199 12.369 1.00 10.72 C ATOM 1587 CG2 ILE A 103 -10.574 8.964 9.869 1.00 10.45 C ATOM 1588 CD1 ILE A 103 -11.287 7.952 12.758 1.00 11.11 C ATOM 0 H ILE A 103 -11.711 12.063 12.355 1.00 10.60 H new ATOM 0 HA ILE A 103 -9.351 11.192 10.806 1.00 9.97 H new ATOM 0 HB ILE A 103 -12.085 9.877 11.067 1.00 10.32 H new ATOM 0 HG12 ILE A 103 -9.465 8.955 12.286 1.00 10.72 H new ATOM 0 HG13 ILE A 103 -10.620 9.936 13.166 1.00 10.72 H new ATOM 0 HG21 ILE A 103 -10.978 7.959 9.987 1.00 10.45 H new ATOM 0 HG22 ILE A 103 -10.955 9.402 8.947 1.00 10.45 H new ATOM 0 HG23 ILE A 103 -9.486 8.915 9.824 1.00 10.45 H new ATOM 0 HD11 ILE A 103 -10.897 7.566 13.700 1.00 11.11 H new ATOM 0 HD12 ILE A 103 -12.344 8.193 12.874 1.00 11.11 H new ATOM 0 HD13 ILE A 103 -11.171 7.197 11.980 1.00 11.11 H new ATOM 1600 N GLU A 104 -10.194 12.257 8.701 1.00 9.35 N ATOM 1601 CA GLU A 104 -10.677 12.894 7.482 1.00 9.23 C ATOM 1602 C GLU A 104 -11.255 11.858 6.524 1.00 8.49 C ATOM 1603 O GLU A 104 -12.295 12.089 5.902 1.00 7.95 O ATOM 1604 CB GLU A 104 -9.568 13.705 6.797 1.00 9.71 C ATOM 1605 CG GLU A 104 -8.153 13.331 7.222 1.00 10.37 C ATOM 1606 CD GLU A 104 -7.112 14.287 6.668 1.00 11.10 C ATOM 1607 OE1 GLU A 104 -6.820 14.223 5.459 1.00 11.22 O ATOM 1608 OE2 GLU A 104 -6.587 15.114 7.441 1.00 11.65 O ATOM 0 H GLU A 104 -9.185 12.110 8.736 1.00 9.35 H new ATOM 0 HA GLU A 104 -11.471 13.586 7.762 1.00 9.23 H new ATOM 0 HB2 GLU A 104 -9.655 13.576 5.718 1.00 9.71 H new ATOM 0 HB3 GLU A 104 -9.728 14.763 7.005 1.00 9.71 H new ATOM 0 HG2 GLU A 104 -8.093 13.324 8.310 1.00 10.37 H new ATOM 0 HG3 GLU A 104 -7.930 12.319 6.884 1.00 10.37 H new ATOM 1615 N TYR A 105 -10.587 10.715 6.422 1.00 8.69 N ATOM 1616 CA TYR A 105 -11.033 9.633 5.551 1.00 8.30 C ATOM 1617 C TYR A 105 -10.237 8.366 5.836 1.00 8.30 C ATOM 1618 O TYR A 105 -9.383 8.347 6.724 1.00 8.50 O ATOM 1619 CB TYR A 105 -10.910 10.021 4.069 1.00 8.40 C ATOM 1620 CG TYR A 105 -9.571 10.605 3.679 1.00 8.90 C ATOM 1621 CD1 TYR A 105 -8.456 9.795 3.516 1.00 9.14 C ATOM 1622 CD2 TYR A 105 -9.425 11.970 3.468 1.00 9.14 C ATOM 1623 CE1 TYR A 105 -7.236 10.327 3.154 1.00 9.56 C ATOM 1624 CE2 TYR A 105 -8.208 12.508 3.105 1.00 9.54 C ATOM 1625 CZ TYR A 105 -7.117 11.683 2.951 1.00 9.84 C ATOM 1626 OH TYR A 105 -5.900 12.211 2.587 1.00 10.30 O ATOM 0 H TYR A 105 -9.729 10.512 6.935 1.00 8.69 H new ATOM 0 HA TYR A 105 -12.086 9.445 5.760 1.00 8.30 H new ATOM 0 HB2 TYR A 105 -11.097 9.137 3.459 1.00 8.40 H new ATOM 0 HB3 TYR A 105 -11.690 10.744 3.831 1.00 8.40 H new ATOM 0 HD1 TYR A 105 -8.545 8.731 3.675 1.00 9.14 H new ATOM 0 HD2 TYR A 105 -10.278 12.621 3.590 1.00 9.14 H new ATOM 0 HE1 TYR A 105 -6.378 9.683 3.030 1.00 9.56 H new ATOM 0 HE2 TYR A 105 -8.112 13.571 2.942 1.00 9.54 H new ATOM 0 HH TYR A 105 -5.294 12.198 3.357 1.00 10.30 H new ATOM 1636 N ILE A 106 -10.516 7.311 5.086 1.00 8.31 N ATOM 1637 CA ILE A 106 -9.826 6.045 5.268 1.00 8.58 C ATOM 1638 C ILE A 106 -9.125 5.618 3.982 1.00 7.97 C ATOM 1639 O ILE A 106 -9.738 5.570 2.913 1.00 7.37 O ATOM 1640 CB ILE A 106 -10.803 4.930 5.710 1.00 9.05 C ATOM 1641 CG1 ILE A 106 -11.488 5.306 7.029 1.00 9.92 C ATOM 1642 CG2 ILE A 106 -10.072 3.599 5.851 1.00 9.27 C ATOM 1643 CD1 ILE A 106 -12.521 4.298 7.484 1.00 10.29 C ATOM 0 H ILE A 106 -11.217 7.307 4.345 1.00 8.31 H new ATOM 0 HA ILE A 106 -9.083 6.194 6.052 1.00 8.58 H new ATOM 0 HB ILE A 106 -11.568 4.823 4.941 1.00 9.05 H new ATOM 0 HG12 ILE A 106 -10.730 5.412 7.805 1.00 9.92 H new ATOM 0 HG13 ILE A 106 -11.967 6.279 6.916 1.00 9.92 H new ATOM 0 HG21 ILE A 106 -10.777 2.828 6.163 1.00 9.27 H new ATOM 0 HG22 ILE A 106 -9.632 3.322 4.893 1.00 9.27 H new ATOM 0 HG23 ILE A 106 -9.284 3.694 6.598 1.00 9.27 H new ATOM 0 HD11 ILE A 106 -12.964 4.630 8.423 1.00 10.29 H new ATOM 0 HD12 ILE A 106 -13.300 4.208 6.727 1.00 10.29 H new ATOM 0 HD13 ILE A 106 -12.044 3.329 7.630 1.00 10.29 H new ATOM 1655 N ILE A 107 -7.837 5.326 4.089 1.00 8.33 N ATOM 1656 CA ILE A 107 -7.057 4.876 2.948 1.00 8.06 C ATOM 1657 C ILE A 107 -6.932 3.363 3.012 1.00 8.29 C ATOM 1658 O ILE A 107 -6.447 2.819 4.001 1.00 8.62 O ATOM 1659 CB ILE A 107 -5.649 5.510 2.921 1.00 8.25 C ATOM 1660 CG1 ILE A 107 -5.735 7.020 3.160 1.00 8.19 C ATOM 1661 CG2 ILE A 107 -4.967 5.223 1.592 1.00 8.99 C ATOM 1662 CD1 ILE A 107 -4.389 7.715 3.153 1.00 8.61 C ATOM 0 H ILE A 107 -7.309 5.393 4.959 1.00 8.33 H new ATOM 0 HA ILE A 107 -7.571 5.186 2.038 1.00 8.06 H new ATOM 0 HB ILE A 107 -5.055 5.068 3.721 1.00 8.25 H new ATOM 0 HG12 ILE A 107 -6.368 7.465 2.392 1.00 8.19 H new ATOM 0 HG13 ILE A 107 -6.222 7.200 4.118 1.00 8.19 H new ATOM 0 HG21 ILE A 107 -3.975 5.676 1.587 1.00 8.99 H new ATOM 0 HG22 ILE A 107 -4.875 4.146 1.456 1.00 8.99 H new ATOM 0 HG23 ILE A 107 -5.561 5.642 0.780 1.00 8.99 H new ATOM 0 HD11 ILE A 107 -4.529 8.782 3.329 1.00 8.61 H new ATOM 0 HD12 ILE A 107 -3.760 7.298 3.939 1.00 8.61 H new ATOM 0 HD13 ILE A 107 -3.908 7.567 2.186 1.00 8.61 H new ATOM 1674 N CYS A 108 -7.377 2.681 1.976 1.00 8.31 N ATOM 1675 CA CYS A 108 -7.327 1.231 1.968 1.00 8.72 C ATOM 1676 C CYS A 108 -6.309 0.691 0.978 1.00 8.90 C ATOM 1677 O CYS A 108 -6.246 1.123 -0.173 1.00 8.95 O ATOM 1678 CB CYS A 108 -8.709 0.658 1.670 1.00 8.88 C ATOM 1679 SG CYS A 108 -9.893 0.868 3.021 1.00 9.83 S ATOM 0 H CYS A 108 -7.774 3.101 1.136 1.00 8.31 H new ATOM 0 HA CYS A 108 -7.008 0.914 2.961 1.00 8.72 H new ATOM 0 HB2 CYS A 108 -9.105 1.137 0.774 1.00 8.88 H new ATOM 0 HB3 CYS A 108 -8.611 -0.404 1.447 1.00 8.88 H new ATOM 0 HG CYS A 108 -10.853 -0.000 2.896 1.00 9.83 H new ATOM 1685 N THR A 109 -5.506 -0.242 1.462 1.00 9.18 N ATOM 1686 CA THR A 109 -4.498 -0.903 0.660 1.00 9.57 C ATOM 1687 C THR A 109 -5.036 -2.264 0.235 1.00 9.52 C ATOM 1688 O THR A 109 -4.974 -3.232 0.994 1.00 9.93 O ATOM 1689 CB THR A 109 -3.194 -1.085 1.460 1.00 10.24 C ATOM 1690 OG1 THR A 109 -2.843 0.148 2.107 1.00 10.47 O ATOM 1691 CG2 THR A 109 -2.055 -1.534 0.562 1.00 10.84 C ATOM 0 H THR A 109 -5.538 -0.562 2.430 1.00 9.18 H new ATOM 0 HA THR A 109 -4.275 -0.292 -0.215 1.00 9.57 H new ATOM 0 HB THR A 109 -3.362 -1.858 2.210 1.00 10.24 H new ATOM 0 HG1 THR A 109 -2.014 0.026 2.616 1.00 10.47 H new ATOM 0 HG21 THR A 109 -1.149 -1.654 1.156 1.00 10.84 H new ATOM 0 HG22 THR A 109 -2.312 -2.486 0.097 1.00 10.84 H new ATOM 0 HG23 THR A 109 -1.885 -0.786 -0.212 1.00 10.84 H new ATOM 1699 N ASN A 110 -5.596 -2.320 -0.960 1.00 9.26 N ATOM 1700 CA ASN A 110 -6.187 -3.547 -1.475 1.00 9.45 C ATOM 1701 C ASN A 110 -5.138 -4.475 -2.067 1.00 9.54 C ATOM 1702 O ASN A 110 -4.611 -4.221 -3.149 1.00 9.73 O ATOM 1703 CB ASN A 110 -7.246 -3.219 -2.529 1.00 10.33 C ATOM 1704 CG ASN A 110 -8.596 -2.893 -1.923 1.00 10.50 C ATOM 1705 OD1 ASN A 110 -8.689 -2.432 -0.785 1.00 10.11 O ATOM 1706 ND2 ASN A 110 -9.656 -3.126 -2.677 1.00 11.26 N ATOM 0 H ASN A 110 -5.655 -1.526 -1.597 1.00 9.26 H new ATOM 0 HA ASN A 110 -6.654 -4.064 -0.637 1.00 9.45 H new ATOM 0 HB2 ASN A 110 -6.907 -2.373 -3.127 1.00 10.33 H new ATOM 0 HB3 ASN A 110 -7.352 -4.066 -3.207 1.00 10.33 H new ATOM 0 HD21 ASN A 110 -10.590 -2.923 -2.321 1.00 11.26 H new ATOM 0 HD22 ASN A 110 -9.540 -3.509 -3.615 1.00 11.26 H new ATOM 1713 N THR A 111 -4.834 -5.540 -1.340 1.00 9.61 N ATOM 1714 CA THR A 111 -3.870 -6.528 -1.783 1.00 9.91 C ATOM 1715 C THR A 111 -4.593 -7.766 -2.313 1.00 10.65 C ATOM 1716 O THR A 111 -5.255 -8.476 -1.553 1.00 11.22 O ATOM 1717 CB THR A 111 -2.941 -6.947 -0.629 1.00 9.68 C ATOM 1718 OG1 THR A 111 -2.657 -5.819 0.213 1.00 9.38 O ATOM 1719 CG2 THR A 111 -1.644 -7.530 -1.167 1.00 9.85 C ATOM 0 H THR A 111 -5.249 -5.740 -0.430 1.00 9.61 H new ATOM 0 HA THR A 111 -3.272 -6.080 -2.576 1.00 9.91 H new ATOM 0 HB THR A 111 -3.449 -7.712 -0.042 1.00 9.68 H new ATOM 0 HG1 THR A 111 -1.786 -5.441 -0.029 1.00 9.38 H new ATOM 0 HG21 THR A 111 -1.002 -7.819 -0.335 1.00 9.85 H new ATOM 0 HG22 THR A 111 -1.864 -8.406 -1.777 1.00 9.85 H new ATOM 0 HG23 THR A 111 -1.134 -6.783 -1.775 1.00 9.85 H new ATOM 1727 N ASN A 112 -4.493 -8.015 -3.612 1.00 10.79 N ATOM 1728 CA ASN A 112 -5.151 -9.174 -4.208 1.00 11.60 C ATOM 1729 C ASN A 112 -4.435 -10.457 -3.812 1.00 12.13 C ATOM 1730 O ASN A 112 -3.228 -10.593 -4.007 1.00 12.20 O ATOM 1731 CB ASN A 112 -5.210 -9.057 -5.736 1.00 11.56 C ATOM 1732 CG ASN A 112 -5.522 -10.388 -6.405 1.00 12.27 C ATOM 1733 OD1 ASN A 112 -4.638 -11.042 -6.963 1.00 12.78 O ATOM 1734 ND2 ASN A 112 -6.778 -10.808 -6.341 1.00 12.44 N ATOM 0 H ASN A 112 -3.968 -7.437 -4.269 1.00 10.79 H new ATOM 0 HA ASN A 112 -6.172 -9.205 -3.829 1.00 11.60 H new ATOM 0 HB2 ASN A 112 -5.970 -8.326 -6.013 1.00 11.56 H new ATOM 0 HB3 ASN A 112 -4.256 -8.681 -6.107 1.00 11.56 H new ATOM 0 HD21 ASN A 112 -7.040 -11.699 -6.762 1.00 12.44 H new ATOM 0 HD22 ASN A 112 -7.482 -10.240 -5.871 1.00 12.44 H new ATOM 1741 N VAL A 113 -5.182 -11.391 -3.246 1.00 12.66 N ATOM 1742 CA VAL A 113 -4.617 -12.664 -2.829 1.00 13.37 C ATOM 1743 C VAL A 113 -4.986 -13.748 -3.832 1.00 13.66 C ATOM 1744 O VAL A 113 -4.123 -14.480 -4.317 1.00 13.93 O ATOM 1745 CB VAL A 113 -5.106 -13.076 -1.422 1.00 14.08 C ATOM 1746 CG1 VAL A 113 -4.437 -14.369 -0.973 1.00 14.64 C ATOM 1747 CG2 VAL A 113 -4.850 -11.962 -0.419 1.00 14.08 C ATOM 0 H VAL A 113 -6.181 -11.292 -3.065 1.00 12.66 H new ATOM 0 HA VAL A 113 -3.534 -12.546 -2.789 1.00 13.37 H new ATOM 0 HB VAL A 113 -6.181 -13.251 -1.473 1.00 14.08 H new ATOM 0 HG11 VAL A 113 -4.797 -14.639 0.020 1.00 14.64 H new ATOM 0 HG12 VAL A 113 -4.678 -15.167 -1.676 1.00 14.64 H new ATOM 0 HG13 VAL A 113 -3.357 -14.228 -0.941 1.00 14.64 H new ATOM 0 HG21 VAL A 113 -5.201 -12.271 0.566 1.00 14.08 H new ATOM 0 HG22 VAL A 113 -3.781 -11.752 -0.374 1.00 14.08 H new ATOM 0 HG23 VAL A 113 -5.384 -11.064 -0.729 1.00 14.08 H new ATOM 1757 N LYS A 114 -6.273 -13.829 -4.153 1.00 13.72 N ATOM 1758 CA LYS A 114 -6.774 -14.817 -5.097 1.00 14.09 C ATOM 1759 C LYS A 114 -7.856 -14.201 -5.974 1.00 14.38 C ATOM 1760 O LYS A 114 -7.509 -13.400 -6.867 1.00 14.73 O ATOM 1761 CB LYS A 114 -7.325 -16.043 -4.358 1.00 14.21 C ATOM 1762 CG LYS A 114 -6.253 -16.872 -3.669 1.00 14.60 C ATOM 1763 CD LYS A 114 -6.853 -17.893 -2.718 1.00 14.94 C ATOM 1764 CE LYS A 114 -5.772 -18.580 -1.902 1.00 15.49 C ATOM 1765 NZ LYS A 114 -6.339 -19.470 -0.859 1.00 16.02 N ATOM 0 H LYS A 114 -6.992 -13.216 -3.769 1.00 13.72 H new ATOM 0 HA LYS A 114 -5.947 -15.141 -5.729 1.00 14.09 H new ATOM 0 HB2 LYS A 114 -8.051 -15.713 -3.615 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -7.860 -16.674 -5.067 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -5.651 -17.384 -4.420 1.00 14.60 H new ATOM 0 HG3 LYS A 114 -5.582 -16.213 -3.118 1.00 14.60 H new ATOM 0 HD2 LYS A 114 -7.560 -17.401 -2.050 1.00 14.94 H new ATOM 0 HD3 LYS A 114 -7.414 -18.637 -3.284 1.00 14.94 H new ATOM 0 HE2 LYS A 114 -5.133 -19.162 -2.566 1.00 15.49 H new ATOM 0 HE3 LYS A 114 -5.141 -17.827 -1.431 1.00 15.49 H new ATOM 0 HZ1 LYS A 114 -5.566 -19.918 -0.327 1.00 16.02 H new ATOM 0 HZ2 LYS A 114 -6.929 -18.912 -0.209 1.00 16.02 H new ATOM 0 HZ3 LYS A 114 -6.921 -20.205 -1.309 1.00 16.02 H new TER 1779 LYS A 114 ATOM 1780 N CYS B 7 0.281 -15.621 9.899 1.00 7.31 N ATOM 1781 CA CYS B 7 1.281 -15.681 8.810 1.00 7.09 C ATOM 1782 C CYS B 7 1.115 -14.484 7.887 1.00 6.74 C ATOM 1783 O CYS B 7 0.021 -13.931 7.771 1.00 6.90 O ATOM 1784 CB CYS B 7 1.120 -16.980 8.018 1.00 7.27 C ATOM 1785 SG CYS B 7 1.347 -18.478 9.004 1.00 7.49 S ATOM 0 HA CYS B 7 2.280 -15.657 9.246 1.00 7.09 H new ATOM 0 HB2 CYS B 7 0.126 -16.999 7.571 1.00 7.27 H new ATOM 0 HB3 CYS B 7 1.839 -16.985 7.198 1.00 7.27 H new ATOM 0 HG CYS B 7 1.189 -19.523 8.248 1.00 7.49 H new ATOM 1791 N GLN B 8 2.198 -14.077 7.241 1.00 6.40 N ATOM 1792 CA GLN B 8 2.163 -12.940 6.334 1.00 6.15 C ATOM 1793 C GLN B 8 2.882 -13.272 5.033 1.00 5.98 C ATOM 1794 O GLN B 8 3.846 -14.039 5.031 1.00 5.98 O ATOM 1795 CB GLN B 8 2.808 -11.714 6.989 1.00 6.04 C ATOM 1796 CG GLN B 8 2.013 -11.156 8.158 1.00 6.41 C ATOM 1797 CD GLN B 8 0.763 -10.413 7.723 1.00 6.68 C ATOM 1798 OE1 GLN B 8 0.774 -9.192 7.573 1.00 6.77 O ATOM 1799 NE2 GLN B 8 -0.320 -11.144 7.520 1.00 7.12 N ATOM 0 H GLN B 8 3.113 -14.518 7.329 1.00 6.40 H new ATOM 0 HA GLN B 8 1.121 -12.713 6.110 1.00 6.15 H new ATOM 0 HB2 GLN B 8 3.807 -11.981 7.335 1.00 6.04 H new ATOM 0 HB3 GLN B 8 2.929 -10.933 6.238 1.00 6.04 H new ATOM 0 HG2 GLN B 8 1.731 -11.973 8.822 1.00 6.41 H new ATOM 0 HG3 GLN B 8 2.648 -10.482 8.734 1.00 6.41 H new ATOM 0 HE21 GLN B 8 -0.286 -12.154 7.656 1.00 7.12 H new ATOM 0 HE22 GLN B 8 -1.189 -10.698 7.228 1.00 7.12 H new ATOM 1808 N PRO B 9 2.402 -12.718 3.909 1.00 5.94 N ATOM 1809 CA PRO B 9 3.003 -12.938 2.590 1.00 5.86 C ATOM 1810 C PRO B 9 4.390 -12.305 2.477 1.00 5.25 C ATOM 1811 O PRO B 9 4.792 -11.506 3.327 1.00 4.75 O ATOM 1812 CB PRO B 9 2.026 -12.257 1.621 1.00 6.04 C ATOM 1813 CG PRO B 9 0.781 -12.025 2.410 1.00 6.18 C ATOM 1814 CD PRO B 9 1.222 -11.848 3.829 1.00 6.07 C ATOM 0 HA PRO B 9 3.149 -13.999 2.385 1.00 5.86 H new ATOM 0 HB2 PRO B 9 2.434 -11.318 1.247 1.00 6.04 H new ATOM 0 HB3 PRO B 9 1.830 -12.887 0.754 1.00 6.04 H new ATOM 0 HG2 PRO B 9 0.251 -11.142 2.053 1.00 6.18 H new ATOM 0 HG3 PRO B 9 0.096 -12.868 2.316 1.00 6.18 H new ATOM 0 HD2 PRO B 9 1.468 -10.810 4.050 1.00 6.07 H new ATOM 0 HD3 PRO B 9 0.448 -12.149 4.535 1.00 6.07 H new ATOM 1822 N THR B 10 5.116 -12.659 1.429 1.00 5.38 N ATOM 1823 CA THR B 10 6.451 -12.127 1.220 1.00 4.87 C ATOM 1824 C THR B 10 6.411 -10.854 0.374 1.00 4.51 C ATOM 1825 O THR B 10 7.023 -10.771 -0.696 1.00 4.85 O ATOM 1826 CB THR B 10 7.362 -13.176 0.562 1.00 5.16 C ATOM 1827 OG1 THR B 10 6.845 -14.487 0.826 1.00 5.81 O ATOM 1828 CG2 THR B 10 8.779 -13.075 1.105 1.00 5.01 C ATOM 0 H THR B 10 4.803 -13.312 0.711 1.00 5.38 H new ATOM 0 HA THR B 10 6.863 -11.875 2.197 1.00 4.87 H new ATOM 0 HB THR B 10 7.386 -12.992 -0.512 1.00 5.16 H new ATOM 0 HG1 THR B 10 7.423 -15.157 0.406 1.00 5.81 H new ATOM 0 HG21 THR B 10 9.407 -13.826 0.626 1.00 5.01 H new ATOM 0 HG22 THR B 10 9.178 -12.082 0.897 1.00 5.01 H new ATOM 0 HG23 THR B 10 8.769 -13.244 2.182 1.00 5.01 H new ATOM 1836 N GLU B 11 5.672 -9.876 0.870 1.00 4.02 N ATOM 1837 CA GLU B 11 5.531 -8.585 0.216 1.00 3.81 C ATOM 1838 C GLU B 11 4.904 -7.616 1.203 1.00 3.79 C ATOM 1839 O GLU B 11 4.135 -8.034 2.060 1.00 4.04 O ATOM 1840 CB GLU B 11 4.691 -8.700 -1.071 1.00 4.37 C ATOM 1841 CG GLU B 11 3.254 -8.206 -0.946 1.00 4.33 C ATOM 1842 CD GLU B 11 2.266 -9.323 -0.688 1.00 5.46 C ATOM 1843 OE1 GLU B 11 2.206 -10.266 -1.502 1.00 5.61 O ATOM 1844 OE2 GLU B 11 1.525 -9.250 0.314 1.00 5.85 O ATOM 0 H GLU B 11 5.150 -9.955 1.743 1.00 4.02 H new ATOM 0 HA GLU B 11 6.511 -8.216 -0.085 1.00 3.81 H new ATOM 0 HB2 GLU B 11 5.186 -8.137 -1.862 1.00 4.37 H new ATOM 0 HB3 GLU B 11 4.675 -9.744 -1.385 1.00 4.37 H new ATOM 0 HG2 GLU B 11 3.194 -7.481 -0.135 1.00 4.33 H new ATOM 0 HG3 GLU B 11 2.974 -7.684 -1.861 1.00 4.33 H new ATOM 1851 N PHE B 12 5.240 -6.337 1.110 1.00 3.64 N ATOM 1852 CA PHE B 12 4.680 -5.358 2.032 1.00 3.90 C ATOM 1853 C PHE B 12 4.697 -3.952 1.452 1.00 3.61 C ATOM 1854 O PHE B 12 5.409 -3.663 0.488 1.00 3.37 O ATOM 1855 CB PHE B 12 5.417 -5.382 3.382 1.00 3.97 C ATOM 1856 CG PHE B 12 6.885 -5.052 3.309 1.00 5.41 C ATOM 1857 CD1 PHE B 12 7.817 -6.030 3.006 1.00 5.81 C ATOM 1858 CD2 PHE B 12 7.331 -3.766 3.564 1.00 5.41 C ATOM 1859 CE1 PHE B 12 9.164 -5.730 2.952 1.00 6.08 C ATOM 1860 CE2 PHE B 12 8.678 -3.460 3.515 1.00 5.75 C ATOM 1861 CZ PHE B 12 9.595 -4.445 3.209 1.00 4.19 C ATOM 0 H PHE B 12 5.886 -5.957 0.418 1.00 3.64 H new ATOM 0 HA PHE B 12 3.640 -5.640 2.194 1.00 3.90 H new ATOM 0 HB2 PHE B 12 4.934 -4.675 4.056 1.00 3.97 H new ATOM 0 HB3 PHE B 12 5.304 -6.372 3.824 1.00 3.97 H new ATOM 0 HD1 PHE B 12 7.487 -7.039 2.810 1.00 5.81 H new ATOM 0 HD2 PHE B 12 6.617 -2.992 3.804 1.00 5.41 H new ATOM 0 HE1 PHE B 12 9.880 -6.501 2.709 1.00 6.08 H new ATOM 0 HE2 PHE B 12 9.012 -2.453 3.716 1.00 5.75 H new ATOM 0 HZ PHE B 12 10.648 -4.210 3.171 1.00 4.19 H new ATOM 1871 N ILE B 13 3.898 -3.087 2.061 1.00 4.06 N ATOM 1872 CA ILE B 13 3.796 -1.699 1.649 1.00 4.31 C ATOM 1873 C ILE B 13 4.703 -0.823 2.504 1.00 4.64 C ATOM 1874 O ILE B 13 4.528 -0.728 3.721 1.00 5.17 O ATOM 1875 CB ILE B 13 2.337 -1.197 1.754 1.00 4.65 C ATOM 1876 CG1 ILE B 13 1.469 -1.873 0.692 1.00 5.25 C ATOM 1877 CG2 ILE B 13 2.264 0.317 1.620 1.00 4.81 C ATOM 1878 CD1 ILE B 13 1.908 -1.593 -0.730 1.00 5.57 C ATOM 0 H ILE B 13 3.304 -3.330 2.854 1.00 4.06 H new ATOM 0 HA ILE B 13 4.113 -1.634 0.608 1.00 4.31 H new ATOM 0 HB ILE B 13 1.957 -1.462 2.741 1.00 4.65 H new ATOM 0 HG12 ILE B 13 1.480 -2.950 0.860 1.00 5.25 H new ATOM 0 HG13 ILE B 13 0.438 -1.542 0.815 1.00 5.25 H new ATOM 0 HG21 ILE B 13 1.226 0.640 1.698 1.00 4.81 H new ATOM 0 HG22 ILE B 13 2.849 0.781 2.414 1.00 4.81 H new ATOM 0 HG23 ILE B 13 2.665 0.616 0.652 1.00 4.81 H new ATOM 0 HD11 ILE B 13 1.243 -2.107 -1.424 1.00 5.57 H new ATOM 0 HD12 ILE B 13 1.870 -0.520 -0.918 1.00 5.57 H new ATOM 0 HD13 ILE B 13 2.928 -1.950 -0.873 1.00 5.57 H new ATOM 1890 N SER B 14 5.675 -0.195 1.863 1.00 4.50 N ATOM 1891 CA SER B 14 6.613 0.667 2.559 1.00 4.98 C ATOM 1892 C SER B 14 6.330 2.135 2.254 1.00 5.30 C ATOM 1893 O SER B 14 6.675 2.632 1.182 1.00 4.82 O ATOM 1894 CB SER B 14 8.043 0.314 2.146 1.00 4.87 C ATOM 1895 OG SER B 14 8.113 -1.006 1.637 1.00 4.53 O ATOM 0 H SER B 14 5.834 -0.267 0.858 1.00 4.50 H new ATOM 0 HA SER B 14 6.496 0.512 3.632 1.00 4.98 H new ATOM 0 HB2 SER B 14 8.391 1.018 1.390 1.00 4.87 H new ATOM 0 HB3 SER B 14 8.708 0.413 3.004 1.00 4.87 H new ATOM 0 HG SER B 14 8.153 -1.642 2.382 1.00 4.53 H new ATOM 1901 N ARG B 15 5.686 2.819 3.188 1.00 6.21 N ATOM 1902 CA ARG B 15 5.371 4.229 3.020 1.00 6.71 C ATOM 1903 C ARG B 15 6.496 5.067 3.613 1.00 7.20 C ATOM 1904 O ARG B 15 6.665 5.123 4.833 1.00 7.59 O ATOM 1905 CB ARG B 15 4.035 4.569 3.690 1.00 7.25 C ATOM 1906 CG ARG B 15 2.920 3.593 3.342 1.00 7.11 C ATOM 1907 CD ARG B 15 1.695 3.788 4.224 1.00 7.81 C ATOM 1908 NE ARG B 15 0.756 4.755 3.658 1.00 7.98 N ATOM 1909 CZ ARG B 15 -0.308 4.425 2.927 1.00 8.52 C ATOM 1910 NH1 ARG B 15 -0.601 3.145 2.714 1.00 8.97 N ATOM 1911 NH2 ARG B 15 -1.087 5.376 2.421 1.00 8.77 N ATOM 0 H ARG B 15 5.371 2.419 4.072 1.00 6.21 H new ATOM 0 HA ARG B 15 5.277 4.452 1.957 1.00 6.71 H new ATOM 0 HB2 ARG B 15 4.172 4.582 4.771 1.00 7.25 H new ATOM 0 HB3 ARG B 15 3.734 5.574 3.394 1.00 7.25 H new ATOM 0 HG2 ARG B 15 2.638 3.722 2.297 1.00 7.11 H new ATOM 0 HG3 ARG B 15 3.285 2.572 3.450 1.00 7.11 H new ATOM 0 HD2 ARG B 15 1.191 2.831 4.360 1.00 7.81 H new ATOM 0 HD3 ARG B 15 2.010 4.125 5.211 1.00 7.81 H new ATOM 0 HE ARG B 15 0.926 5.745 3.834 1.00 7.98 H new ATOM 0 HH11 ARG B 15 -0.011 2.414 3.111 1.00 8.97 H new ATOM 0 HH12 ARG B 15 -1.416 2.895 2.154 1.00 8.97 H new ATOM 0 HH21 ARG B 15 -0.870 6.358 2.592 1.00 8.77 H new ATOM 0 HH22 ARG B 15 -1.902 5.124 1.861 1.00 8.77 H new ATOM 1925 N HIS B 16 7.278 5.695 2.750 1.00 7.22 N ATOM 1926 CA HIS B 16 8.402 6.508 3.198 1.00 7.74 C ATOM 1927 C HIS B 16 8.511 7.783 2.376 1.00 8.16 C ATOM 1928 O HIS B 16 7.929 7.879 1.298 1.00 8.31 O ATOM 1929 CB HIS B 16 9.710 5.709 3.103 1.00 7.44 C ATOM 1930 CG HIS B 16 10.055 5.246 1.718 1.00 7.53 C ATOM 1931 ND1 HIS B 16 10.581 6.074 0.750 1.00 7.88 N ATOM 1932 CD2 HIS B 16 9.945 4.026 1.143 1.00 7.45 C ATOM 1933 CE1 HIS B 16 10.784 5.386 -0.354 1.00 7.94 C ATOM 1934 NE2 HIS B 16 10.407 4.140 -0.145 1.00 7.70 N ATOM 0 H HIS B 16 7.158 5.659 1.738 1.00 7.22 H new ATOM 0 HA HIS B 16 8.228 6.782 4.238 1.00 7.74 H new ATOM 0 HB2 HIS B 16 10.526 6.325 3.481 1.00 7.44 H new ATOM 0 HB3 HIS B 16 9.638 4.839 3.756 1.00 7.44 H new ATOM 0 HD1 HIS B 16 10.782 7.067 0.870 1.00 7.88 H new ATOM 0 HD2 HIS B 16 9.565 3.130 1.610 1.00 7.45 H new ATOM 0 HE1 HIS B 16 11.191 5.776 -1.275 1.00 7.94 H new ATOM 1943 N ASN B 17 9.277 8.745 2.877 1.00 8.44 N ATOM 1944 CA ASN B 17 9.468 10.014 2.178 1.00 8.93 C ATOM 1945 C ASN B 17 10.429 9.836 0.995 1.00 8.16 C ATOM 1946 O ASN B 17 10.901 8.724 0.741 1.00 7.25 O ATOM 1947 CB ASN B 17 9.961 11.097 3.152 1.00 9.72 C ATOM 1948 CG ASN B 17 11.458 11.062 3.413 1.00 10.00 C ATOM 1949 OD1 ASN B 17 12.107 10.019 3.319 1.00 9.52 O ATOM 1950 ND2 ASN B 17 12.015 12.212 3.754 1.00 10.83 N ATOM 0 H ASN B 17 9.776 8.672 3.764 1.00 8.44 H new ATOM 0 HA ASN B 17 8.509 10.343 1.778 1.00 8.93 H new ATOM 0 HB2 ASN B 17 9.695 12.076 2.754 1.00 9.72 H new ATOM 0 HB3 ASN B 17 9.435 10.985 4.100 1.00 9.72 H new ATOM 0 HD21 ASN B 17 13.015 12.256 3.950 1.00 10.83 H new ATOM 0 HD22 ASN B 17 11.444 13.055 3.821 1.00 10.83 H new ATOM 1957 N ILE B 18 10.737 10.920 0.285 1.00 8.56 N ATOM 1958 CA ILE B 18 11.618 10.845 -0.884 1.00 7.97 C ATOM 1959 C ILE B 18 13.050 10.445 -0.513 1.00 8.14 C ATOM 1960 O ILE B 18 13.760 9.837 -1.316 1.00 8.11 O ATOM 1961 CB ILE B 18 11.643 12.176 -1.672 1.00 8.20 C ATOM 1962 CG1 ILE B 18 12.301 13.292 -0.854 1.00 8.36 C ATOM 1963 CG2 ILE B 18 10.229 12.574 -2.076 1.00 8.89 C ATOM 1964 CD1 ILE B 18 12.619 14.529 -1.664 1.00 8.53 C ATOM 0 H ILE B 18 10.393 11.857 0.495 1.00 8.56 H new ATOM 0 HA ILE B 18 11.199 10.065 -1.520 1.00 7.97 H new ATOM 0 HB ILE B 18 12.239 12.026 -2.572 1.00 8.20 H new ATOM 0 HG12 ILE B 18 11.640 13.566 -0.032 1.00 8.36 H new ATOM 0 HG13 ILE B 18 13.221 12.912 -0.410 1.00 8.36 H new ATOM 0 HG21 ILE B 18 10.259 13.512 -2.630 1.00 8.89 H new ATOM 0 HG22 ILE B 18 9.797 11.795 -2.705 1.00 8.89 H new ATOM 0 HG23 ILE B 18 9.617 12.700 -1.183 1.00 8.89 H new ATOM 0 HD11 ILE B 18 13.083 15.276 -1.020 1.00 8.53 H new ATOM 0 HD12 ILE B 18 13.305 14.269 -2.471 1.00 8.53 H new ATOM 0 HD13 ILE B 18 11.699 14.934 -2.086 1.00 8.53 H new ATOM 1976 N GLU B 19 13.467 10.773 0.704 1.00 8.43 N ATOM 1977 CA GLU B 19 14.813 10.444 1.159 1.00 8.81 C ATOM 1978 C GLU B 19 14.946 8.952 1.430 1.00 8.59 C ATOM 1979 O GLU B 19 16.008 8.370 1.228 1.00 8.52 O ATOM 1980 CB GLU B 19 15.169 11.239 2.414 1.00 9.86 C ATOM 1981 CG GLU B 19 15.286 12.730 2.164 1.00 10.25 C ATOM 1982 CD GLU B 19 15.415 13.519 3.444 1.00 11.31 C ATOM 1983 OE1 GLU B 19 14.381 13.763 4.097 1.00 11.92 O ATOM 1984 OE2 GLU B 19 16.549 13.897 3.807 1.00 11.62 O ATOM 0 H GLU B 19 12.896 11.264 1.391 1.00 8.43 H new ATOM 0 HA GLU B 19 15.509 10.714 0.365 1.00 8.81 H new ATOM 0 HB2 GLU B 19 14.409 11.063 3.175 1.00 9.86 H new ATOM 0 HB3 GLU B 19 16.113 10.869 2.815 1.00 9.86 H new ATOM 0 HG2 GLU B 19 16.153 12.923 1.532 1.00 10.25 H new ATOM 0 HG3 GLU B 19 14.409 13.074 1.615 1.00 10.25 H new ATOM 1991 N GLY B 20 13.865 8.339 1.876 1.00 8.56 N ATOM 1992 CA GLY B 20 13.887 6.920 2.158 1.00 8.44 C ATOM 1993 C GLY B 20 13.433 6.609 3.564 1.00 8.57 C ATOM 1994 O GLY B 20 13.174 5.453 3.892 1.00 8.52 O ATOM 0 H GLY B 20 12.970 8.798 2.049 1.00 8.56 H new ATOM 0 HA2 GLY B 20 13.244 6.400 1.448 1.00 8.44 H new ATOM 0 HA3 GLY B 20 14.897 6.538 2.012 1.00 8.44 H new ATOM 1998 N ILE B 21 13.318 7.651 4.380 1.00 8.85 N ATOM 1999 CA ILE B 21 12.893 7.514 5.768 1.00 9.05 C ATOM 2000 C ILE B 21 11.482 6.949 5.837 1.00 8.72 C ATOM 2001 O ILE B 21 10.520 7.599 5.417 1.00 8.95 O ATOM 2002 CB ILE B 21 12.934 8.871 6.506 1.00 9.94 C ATOM 2003 CG1 ILE B 21 14.325 9.512 6.391 1.00 9.95 C ATOM 2004 CG2 ILE B 21 12.542 8.703 7.969 1.00 10.87 C ATOM 2005 CD1 ILE B 21 15.424 8.714 7.060 1.00 10.51 C ATOM 0 H ILE B 21 13.516 8.611 4.099 1.00 8.85 H new ATOM 0 HA ILE B 21 13.587 6.830 6.256 1.00 9.05 H new ATOM 0 HB ILE B 21 12.211 9.535 6.032 1.00 9.94 H new ATOM 0 HG12 ILE B 21 14.571 9.637 5.336 1.00 9.95 H new ATOM 0 HG13 ILE B 21 14.293 10.508 6.832 1.00 9.95 H new ATOM 0 HG21 ILE B 21 12.578 9.671 8.469 1.00 10.87 H new ATOM 0 HG22 ILE B 21 11.531 8.300 8.031 1.00 10.87 H new ATOM 0 HG23 ILE B 21 13.236 8.018 8.455 1.00 10.87 H new ATOM 0 HD11 ILE B 21 16.376 9.230 6.936 1.00 10.51 H new ATOM 0 HD12 ILE B 21 15.203 8.610 8.122 1.00 10.51 H new ATOM 0 HD13 ILE B 21 15.485 7.726 6.604 1.00 10.51 H new ATOM 2017 N PHE B 22 11.369 5.731 6.346 1.00 8.23 N ATOM 2018 CA PHE B 22 10.083 5.062 6.465 1.00 7.87 C ATOM 2019 C PHE B 22 9.213 5.721 7.529 1.00 7.79 C ATOM 2020 O PHE B 22 9.657 5.948 8.659 1.00 8.12 O ATOM 2021 CB PHE B 22 10.277 3.582 6.799 1.00 7.86 C ATOM 2022 CG PHE B 22 10.972 2.802 5.718 1.00 7.34 C ATOM 2023 CD1 PHE B 22 10.244 2.191 4.712 1.00 7.10 C ATOM 2024 CD2 PHE B 22 12.352 2.681 5.709 1.00 7.19 C ATOM 2025 CE1 PHE B 22 10.878 1.475 3.715 1.00 6.75 C ATOM 2026 CE2 PHE B 22 12.991 1.967 4.715 1.00 6.90 C ATOM 2027 CZ PHE B 22 12.253 1.364 3.717 1.00 6.69 C ATOM 0 H PHE B 22 12.159 5.183 6.685 1.00 8.23 H new ATOM 0 HA PHE B 22 9.576 5.149 5.504 1.00 7.87 H new ATOM 0 HB2 PHE B 22 10.853 3.500 7.721 1.00 7.86 H new ATOM 0 HB3 PHE B 22 9.303 3.132 6.990 1.00 7.86 H new ATOM 0 HD1 PHE B 22 9.167 2.275 4.706 1.00 7.10 H new ATOM 0 HD2 PHE B 22 12.934 3.150 6.488 1.00 7.19 H new ATOM 0 HE1 PHE B 22 10.298 1.003 2.936 1.00 6.75 H new ATOM 0 HE2 PHE B 22 14.068 1.880 4.719 1.00 6.90 H new ATOM 0 HZ PHE B 22 12.751 0.806 2.938 1.00 6.69 H new ATOM 2037 N THR B 23 7.981 6.028 7.157 1.00 7.44 N ATOM 2038 CA THR B 23 7.034 6.652 8.066 1.00 7.38 C ATOM 2039 C THR B 23 5.983 5.643 8.523 1.00 7.22 C ATOM 2040 O THR B 23 5.516 5.687 9.662 1.00 7.91 O ATOM 2041 CB THR B 23 6.341 7.852 7.398 1.00 7.22 C ATOM 2042 OG1 THR B 23 7.228 8.457 6.443 1.00 7.16 O ATOM 2043 CG2 THR B 23 5.924 8.885 8.434 1.00 7.36 C ATOM 0 H THR B 23 7.611 5.853 6.223 1.00 7.44 H new ATOM 0 HA THR B 23 7.590 7.006 8.934 1.00 7.38 H new ATOM 0 HB THR B 23 5.447 7.491 6.890 1.00 7.22 H new ATOM 0 HG1 THR B 23 6.782 9.220 6.019 1.00 7.16 H new ATOM 0 HG21 THR B 23 5.436 9.723 7.936 1.00 7.36 H new ATOM 0 HG22 THR B 23 5.231 8.431 9.142 1.00 7.36 H new ATOM 0 HG23 THR B 23 6.805 9.242 8.967 1.00 7.36 H new ATOM 2051 N PHE B 24 5.625 4.722 7.635 1.00 6.39 N ATOM 2052 CA PHE B 24 4.638 3.702 7.954 1.00 6.27 C ATOM 2053 C PHE B 24 4.889 2.441 7.133 1.00 5.44 C ATOM 2054 O PHE B 24 4.958 2.491 5.904 1.00 4.71 O ATOM 2055 CB PHE B 24 3.222 4.230 7.700 1.00 6.55 C ATOM 2056 CG PHE B 24 2.142 3.387 8.320 1.00 6.80 C ATOM 2057 CD1 PHE B 24 1.905 3.439 9.684 1.00 7.52 C ATOM 2058 CD2 PHE B 24 1.365 2.546 7.541 1.00 6.51 C ATOM 2059 CE1 PHE B 24 0.912 2.670 10.259 1.00 7.89 C ATOM 2060 CE2 PHE B 24 0.371 1.773 8.110 1.00 6.98 C ATOM 2061 CZ PHE B 24 0.145 1.836 9.472 1.00 7.64 C ATOM 0 H PHE B 24 6.004 4.662 6.690 1.00 6.39 H new ATOM 0 HA PHE B 24 4.731 3.451 9.011 1.00 6.27 H new ATOM 0 HB2 PHE B 24 3.147 5.245 8.090 1.00 6.55 H new ATOM 0 HB3 PHE B 24 3.053 4.288 6.625 1.00 6.55 H new ATOM 0 HD1 PHE B 24 2.504 4.089 10.305 1.00 7.52 H new ATOM 0 HD2 PHE B 24 1.538 2.494 6.476 1.00 6.51 H new ATOM 0 HE1 PHE B 24 0.736 2.722 11.323 1.00 7.89 H new ATOM 0 HE2 PHE B 24 -0.228 1.121 7.492 1.00 6.98 H new ATOM 0 HZ PHE B 24 -0.631 1.233 9.920 1.00 7.64 H new ATOM 2071 N VAL B 25 5.036 1.319 7.820 1.00 5.71 N ATOM 2072 CA VAL B 25 5.280 0.039 7.166 1.00 5.22 C ATOM 2073 C VAL B 25 4.245 -0.984 7.621 1.00 5.47 C ATOM 2074 O VAL B 25 3.858 -0.998 8.791 1.00 5.85 O ATOM 2075 CB VAL B 25 6.695 -0.504 7.483 1.00 5.58 C ATOM 2076 CG1 VAL B 25 7.070 -1.625 6.526 1.00 5.20 C ATOM 2077 CG2 VAL B 25 7.731 0.610 7.436 1.00 6.10 C ATOM 0 H VAL B 25 4.990 1.267 8.838 1.00 5.71 H new ATOM 0 HA VAL B 25 5.204 0.201 6.091 1.00 5.22 H new ATOM 0 HB VAL B 25 6.679 -0.908 8.495 1.00 5.58 H new ATOM 0 HG11 VAL B 25 8.068 -1.991 6.768 1.00 5.20 H new ATOM 0 HG12 VAL B 25 6.352 -2.440 6.621 1.00 5.20 H new ATOM 0 HG13 VAL B 25 7.059 -1.249 5.503 1.00 5.20 H new ATOM 0 HG21 VAL B 25 8.716 0.201 7.662 1.00 6.10 H new ATOM 0 HG22 VAL B 25 7.743 1.054 6.441 1.00 6.10 H new ATOM 0 HG23 VAL B 25 7.478 1.374 8.171 1.00 6.10 H new ATOM 2087 N ASP B 26 3.786 -1.820 6.697 1.00 5.31 N ATOM 2088 CA ASP B 26 2.799 -2.845 7.023 1.00 5.56 C ATOM 2089 C ASP B 26 3.453 -3.974 7.819 1.00 6.58 C ATOM 2090 O ASP B 26 4.668 -4.164 7.765 1.00 7.15 O ATOM 2091 CB ASP B 26 2.136 -3.395 5.753 1.00 4.87 C ATOM 2092 CG ASP B 26 0.918 -4.257 6.053 1.00 4.97 C ATOM 2093 OD1 ASP B 26 0.381 -4.175 7.176 1.00 5.05 O ATOM 2094 OD2 ASP B 26 0.499 -5.026 5.168 1.00 5.22 O ATOM 0 H ASP B 26 4.079 -1.810 5.720 1.00 5.31 H new ATOM 0 HA ASP B 26 2.022 -2.388 7.636 1.00 5.56 H new ATOM 0 HB2 ASP B 26 1.839 -2.564 5.114 1.00 4.87 H new ATOM 0 HB3 ASP B 26 2.864 -3.983 5.194 1.00 4.87 H new ATOM 2099 N HIS B 27 2.635 -4.739 8.523 1.00 6.95 N ATOM 2100 CA HIS B 27 3.116 -5.835 9.368 1.00 8.01 C ATOM 2101 C HIS B 27 3.676 -6.996 8.540 1.00 8.33 C ATOM 2102 O HIS B 27 4.307 -7.904 9.079 1.00 8.59 O ATOM 2103 CB HIS B 27 1.981 -6.349 10.260 1.00 8.34 C ATOM 2104 CG HIS B 27 1.314 -5.279 11.072 1.00 8.39 C ATOM 2105 ND1 HIS B 27 1.768 -4.538 12.112 1.00 8.80 N flip ATOM 2106 CD2 HIS B 27 0.017 -4.865 10.850 1.00 8.34 C flip ATOM 2107 CE1 HIS B 27 0.750 -3.700 12.492 1.00 8.97 C flip ATOM 2108 NE2 HIS B 27 -0.294 -3.917 11.716 1.00 8.70 N flip ATOM 0 H HIS B 27 1.622 -4.624 8.529 1.00 6.95 H new ATOM 0 HA HIS B 27 3.924 -5.438 9.983 1.00 8.01 H new ATOM 0 HB2 HIS B 27 1.233 -6.836 9.635 1.00 8.34 H new ATOM 0 HB3 HIS B 27 2.377 -7.109 10.934 1.00 8.34 H new ATOM 0 HD1 HIS B 27 2.695 -4.593 12.534 1.00 8.80 H new ATOM 0 HD2 HIS B 27 -0.641 -5.255 10.088 1.00 8.34 H new ATOM 0 HE1 HIS B 27 0.796 -2.980 13.296 1.00 8.97 H new ATOM 2117 N ARG B 28 3.458 -6.949 7.234 1.00 8.41 N ATOM 2118 CA ARG B 28 3.923 -8.001 6.331 1.00 8.82 C ATOM 2119 C ARG B 28 5.451 -8.054 6.233 1.00 9.34 C ATOM 2120 O ARG B 28 6.016 -9.083 5.857 1.00 9.76 O ATOM 2121 CB ARG B 28 3.330 -7.790 4.940 1.00 8.65 C ATOM 2122 CG ARG B 28 1.982 -8.459 4.733 1.00 9.09 C ATOM 2123 CD ARG B 28 1.404 -8.139 3.363 1.00 9.23 C ATOM 2124 NE ARG B 28 0.969 -6.748 3.270 1.00 9.07 N ATOM 2125 CZ ARG B 28 0.714 -6.113 2.130 1.00 9.17 C ATOM 2126 NH1 ARG B 28 0.898 -6.713 0.962 1.00 9.42 N ATOM 2127 NH2 ARG B 28 0.275 -4.864 2.158 1.00 9.14 N ATOM 0 H ARG B 28 2.959 -6.190 6.770 1.00 8.41 H new ATOM 0 HA ARG B 28 3.587 -8.952 6.744 1.00 8.82 H new ATOM 0 HB2 ARG B 28 3.224 -6.720 4.760 1.00 8.65 H new ATOM 0 HB3 ARG B 28 4.030 -8.170 4.197 1.00 8.65 H new ATOM 0 HG2 ARG B 28 2.090 -9.538 4.840 1.00 9.09 H new ATOM 0 HG3 ARG B 28 1.289 -8.130 5.507 1.00 9.09 H new ATOM 0 HD2 ARG B 28 2.153 -8.338 2.597 1.00 9.23 H new ATOM 0 HD3 ARG B 28 0.560 -8.798 3.162 1.00 9.23 H new ATOM 0 HE ARG B 28 0.853 -6.228 4.140 1.00 9.07 H new ATOM 0 HH11 ARG B 28 1.239 -7.674 0.930 1.00 9.42 H new ATOM 0 HH12 ARG B 28 0.698 -6.214 0.095 1.00 9.42 H new ATOM 0 HH21 ARG B 28 0.134 -4.393 3.052 1.00 9.14 H new ATOM 0 HH22 ARG B 28 0.078 -4.373 1.286 1.00 9.14 H new ATOM 2141 N CYS B 29 6.116 -6.960 6.599 1.00 9.40 N ATOM 2142 CA CYS B 29 7.575 -6.879 6.522 1.00 9.95 C ATOM 2143 C CYS B 29 8.258 -7.947 7.379 1.00 10.96 C ATOM 2144 O CYS B 29 9.350 -8.420 7.044 1.00 11.56 O ATOM 2145 CB CYS B 29 8.047 -5.487 6.954 1.00 9.64 C ATOM 2146 SG CYS B 29 7.702 -5.092 8.683 1.00 9.41 S ATOM 0 H CYS B 29 5.667 -6.115 6.953 1.00 9.40 H new ATOM 0 HA CYS B 29 7.856 -7.059 5.484 1.00 9.95 H new ATOM 0 HB2 CYS B 29 9.121 -5.410 6.783 1.00 9.64 H new ATOM 0 HB3 CYS B 29 7.569 -4.740 6.320 1.00 9.64 H new ATOM 0 HG CYS B 29 8.694 -5.486 9.425 1.00 9.41 H new ATOM 2152 N VAL B 30 7.599 -8.339 8.463 1.00 11.19 N ATOM 2153 CA VAL B 30 8.137 -9.333 9.389 1.00 12.16 C ATOM 2154 C VAL B 30 8.351 -10.692 8.714 1.00 12.13 C ATOM 2155 O VAL B 30 9.332 -11.385 8.989 1.00 12.06 O ATOM 2156 CB VAL B 30 7.215 -9.513 10.614 1.00 12.71 C ATOM 2157 CG1 VAL B 30 7.874 -10.401 11.655 1.00 13.64 C ATOM 2158 CG2 VAL B 30 6.851 -8.164 11.220 1.00 12.09 C ATOM 0 H VAL B 30 6.681 -7.980 8.726 1.00 11.19 H new ATOM 0 HA VAL B 30 9.105 -8.954 9.718 1.00 12.16 H new ATOM 0 HB VAL B 30 6.298 -9.997 10.278 1.00 12.71 H new ATOM 0 HG11 VAL B 30 7.208 -10.515 12.510 1.00 13.64 H new ATOM 0 HG12 VAL B 30 8.079 -11.380 11.221 1.00 13.64 H new ATOM 0 HG13 VAL B 30 8.809 -9.946 11.982 1.00 13.64 H new ATOM 0 HG21 VAL B 30 6.201 -8.316 12.082 1.00 12.09 H new ATOM 0 HG22 VAL B 30 7.759 -7.650 11.536 1.00 12.09 H new ATOM 0 HG23 VAL B 30 6.332 -7.559 10.476 1.00 12.09 H new ATOM 2168 N ALA B 31 7.448 -11.066 7.825 1.00 12.22 N ATOM 2169 CA ALA B 31 7.555 -12.345 7.137 1.00 12.23 C ATOM 2170 C ALA B 31 8.315 -12.202 5.824 1.00 12.35 C ATOM 2171 O ALA B 31 8.718 -13.191 5.214 1.00 12.90 O ATOM 2172 CB ALA B 31 6.175 -12.925 6.886 1.00 12.06 C ATOM 0 H ALA B 31 6.636 -10.508 7.562 1.00 12.22 H new ATOM 0 HA ALA B 31 8.114 -13.027 7.778 1.00 12.23 H new ATOM 0 HB1 ALA B 31 6.270 -13.881 6.371 1.00 12.06 H new ATOM 0 HB2 ALA B 31 5.665 -13.075 7.837 1.00 12.06 H new ATOM 0 HB3 ALA B 31 5.598 -12.236 6.269 1.00 12.06 H new ATOM 2178 N THR B 32 8.516 -10.967 5.396 1.00 11.87 N ATOM 2179 CA THR B 32 9.222 -10.712 4.151 1.00 11.93 C ATOM 2180 C THR B 32 10.730 -10.615 4.376 1.00 12.13 C ATOM 2181 O THR B 32 11.492 -11.454 3.897 1.00 12.07 O ATOM 2182 CB THR B 32 8.718 -9.424 3.476 1.00 11.28 C ATOM 2183 OG1 THR B 32 7.285 -9.425 3.429 1.00 10.74 O ATOM 2184 CG2 THR B 32 9.274 -9.300 2.062 1.00 11.32 C ATOM 0 H THR B 32 8.203 -10.130 5.888 1.00 11.87 H new ATOM 0 HA THR B 32 9.019 -11.557 3.493 1.00 11.93 H new ATOM 0 HB THR B 32 9.064 -8.573 4.063 1.00 11.28 H new ATOM 0 HG1 THR B 32 6.928 -9.284 4.331 1.00 10.74 H new ATOM 0 HG21 THR B 32 8.904 -8.382 1.605 1.00 11.32 H new ATOM 0 HG22 THR B 32 10.363 -9.273 2.100 1.00 11.32 H new ATOM 0 HG23 THR B 32 8.953 -10.156 1.468 1.00 11.32 H new ATOM 2192 N VAL B 33 11.159 -9.604 5.123 1.00 12.47 N ATOM 2193 CA VAL B 33 12.579 -9.409 5.386 1.00 12.77 C ATOM 2194 C VAL B 33 12.932 -9.736 6.831 1.00 13.33 C ATOM 2195 O VAL B 33 14.104 -9.850 7.181 1.00 13.87 O ATOM 2196 CB VAL B 33 13.027 -7.966 5.067 1.00 12.98 C ATOM 2197 CG1 VAL B 33 13.094 -7.751 3.566 1.00 12.95 C ATOM 2198 CG2 VAL B 33 12.094 -6.953 5.710 1.00 13.04 C ATOM 0 H VAL B 33 10.548 -8.911 5.555 1.00 12.47 H new ATOM 0 HA VAL B 33 13.110 -10.096 4.727 1.00 12.77 H new ATOM 0 HB VAL B 33 14.024 -7.820 5.483 1.00 12.98 H new ATOM 0 HG11 VAL B 33 13.411 -6.729 3.359 1.00 12.95 H new ATOM 0 HG12 VAL B 33 13.809 -8.449 3.130 1.00 12.95 H new ATOM 0 HG13 VAL B 33 12.110 -7.921 3.130 1.00 12.95 H new ATOM 0 HG21 VAL B 33 12.431 -5.945 5.470 1.00 13.04 H new ATOM 0 HG22 VAL B 33 11.083 -7.097 5.330 1.00 13.04 H new ATOM 0 HG23 VAL B 33 12.098 -7.090 6.791 1.00 13.04 H new ATOM 2208 N GLY B 34 11.916 -9.874 7.670 1.00 13.22 N ATOM 2209 CA GLY B 34 12.150 -10.188 9.067 1.00 13.79 C ATOM 2210 C GLY B 34 12.310 -8.940 9.910 1.00 13.48 C ATOM 2211 O GLY B 34 12.285 -9.000 11.138 1.00 13.67 O ATOM 0 H GLY B 34 10.935 -9.775 7.410 1.00 13.22 H new ATOM 0 HA2 GLY B 34 11.319 -10.780 9.450 1.00 13.79 H new ATOM 0 HA3 GLY B 34 13.046 -10.802 9.155 1.00 13.79 H new ATOM 2215 N TYR B 35 12.476 -7.810 9.244 1.00 13.06 N ATOM 2216 CA TYR B 35 12.639 -6.534 9.921 1.00 12.84 C ATOM 2217 C TYR B 35 11.318 -6.069 10.513 1.00 12.88 C ATOM 2218 O TYR B 35 10.259 -6.250 9.908 1.00 12.93 O ATOM 2219 CB TYR B 35 13.149 -5.475 8.946 1.00 12.71 C ATOM 2220 CG TYR B 35 14.650 -5.431 8.794 1.00 13.12 C ATOM 2221 CD1 TYR B 35 15.471 -5.131 9.875 1.00 13.55 C ATOM 2222 CD2 TYR B 35 15.246 -5.667 7.564 1.00 13.47 C ATOM 2223 CE1 TYR B 35 16.844 -5.067 9.731 1.00 14.27 C ATOM 2224 CE2 TYR B 35 16.617 -5.610 7.413 1.00 14.23 C ATOM 2225 CZ TYR B 35 17.411 -5.311 8.498 1.00 14.46 C ATOM 2226 OH TYR B 35 18.777 -5.246 8.345 1.00 15.38 O ATOM 0 H TYR B 35 12.502 -7.750 8.226 1.00 13.06 H new ATOM 0 HA TYR B 35 13.365 -6.670 10.723 1.00 12.84 H new ATOM 0 HB2 TYR B 35 12.703 -5.656 7.968 1.00 12.71 H new ATOM 0 HB3 TYR B 35 12.802 -4.497 9.279 1.00 12.71 H new ATOM 0 HD1 TYR B 35 15.029 -4.945 10.843 1.00 13.55 H new ATOM 0 HD2 TYR B 35 14.627 -5.899 6.710 1.00 13.47 H new ATOM 0 HE1 TYR B 35 17.469 -4.827 10.579 1.00 14.27 H new ATOM 0 HE2 TYR B 35 17.065 -5.799 6.449 1.00 14.23 H new ATOM 0 HH TYR B 35 19.017 -4.404 7.904 1.00 15.38 H new ATOM 2236 N GLN B 36 11.384 -5.487 11.696 1.00 12.95 N ATOM 2237 CA GLN B 36 10.199 -4.971 12.356 1.00 13.09 C ATOM 2238 C GLN B 36 9.920 -3.567 11.841 1.00 13.29 C ATOM 2239 O GLN B 36 10.852 -2.844 11.486 1.00 13.05 O ATOM 2240 CB GLN B 36 10.392 -4.943 13.877 1.00 13.40 C ATOM 2241 CG GLN B 36 10.676 -6.305 14.494 1.00 13.22 C ATOM 2242 CD GLN B 36 9.684 -7.368 14.058 1.00 13.36 C ATOM 2243 OE1 GLN B 36 10.048 -8.142 13.049 1.00 13.78 O flip ATOM 2244 NE2 GLN B 36 8.606 -7.505 14.633 1.00 13.13 N flip ATOM 0 H GLN B 36 12.249 -5.359 12.221 1.00 12.95 H new ATOM 0 HA GLN B 36 9.354 -5.623 12.135 1.00 13.09 H new ATOM 0 HB2 GLN B 36 11.215 -4.270 14.115 1.00 13.40 H new ATOM 0 HB3 GLN B 36 9.496 -4.527 14.338 1.00 13.40 H new ATOM 0 HG2 GLN B 36 11.683 -6.620 14.220 1.00 13.22 H new ATOM 0 HG3 GLN B 36 10.654 -6.218 15.580 1.00 13.22 H new ATOM 0 HE21 GLN B 36 8.359 -6.889 15.408 1.00 13.13 H new ATOM 0 HE22 GLN B 36 7.958 -8.235 14.335 1.00 13.13 H new ATOM 2253 N PRO B 37 8.646 -3.158 11.782 1.00 13.77 N ATOM 2254 CA PRO B 37 8.273 -1.825 11.301 1.00 14.06 C ATOM 2255 C PRO B 37 9.036 -0.721 12.028 1.00 14.37 C ATOM 2256 O PRO B 37 9.483 0.246 11.415 1.00 14.17 O ATOM 2257 CB PRO B 37 6.780 -1.735 11.615 1.00 14.71 C ATOM 2258 CG PRO B 37 6.311 -3.148 11.651 1.00 14.52 C ATOM 2259 CD PRO B 37 7.470 -3.958 12.167 1.00 14.10 C ATOM 0 HA PRO B 37 8.506 -1.692 10.245 1.00 14.06 H new ATOM 0 HB2 PRO B 37 6.606 -1.236 12.569 1.00 14.71 H new ATOM 0 HB3 PRO B 37 6.250 -1.162 10.854 1.00 14.71 H new ATOM 0 HG2 PRO B 37 5.442 -3.254 12.300 1.00 14.52 H new ATOM 0 HG3 PRO B 37 6.011 -3.485 10.659 1.00 14.52 H new ATOM 0 HD2 PRO B 37 7.414 -4.096 13.247 1.00 14.10 H new ATOM 0 HD3 PRO B 37 7.496 -4.952 11.720 1.00 14.10 H new ATOM 2267 N GLN B 38 9.211 -0.898 13.334 1.00 14.87 N ATOM 2268 CA GLN B 38 9.908 0.073 14.172 1.00 15.23 C ATOM 2269 C GLN B 38 11.387 0.191 13.811 1.00 14.56 C ATOM 2270 O GLN B 38 12.035 1.183 14.146 1.00 14.37 O ATOM 2271 CB GLN B 38 9.763 -0.304 15.647 1.00 16.33 C ATOM 2272 CG GLN B 38 8.334 -0.215 16.157 1.00 17.13 C ATOM 2273 CD GLN B 38 7.580 -1.527 16.049 1.00 17.26 C ATOM 2274 OE1 GLN B 38 7.902 -2.382 15.221 1.00 17.15 O ATOM 2275 NE2 GLN B 38 6.567 -1.692 16.880 1.00 17.54 N ATOM 0 H GLN B 38 8.875 -1.717 13.841 1.00 14.87 H new ATOM 0 HA GLN B 38 9.447 1.044 13.993 1.00 15.23 H new ATOM 0 HB2 GLN B 38 10.130 -1.320 15.792 1.00 16.33 H new ATOM 0 HB3 GLN B 38 10.396 0.352 16.245 1.00 16.33 H new ATOM 0 HG2 GLN B 38 8.346 0.106 17.199 1.00 17.13 H new ATOM 0 HG3 GLN B 38 7.801 0.551 15.594 1.00 17.13 H new ATOM 0 HE21 GLN B 38 6.333 -0.960 17.551 1.00 17.54 H new ATOM 0 HE22 GLN B 38 6.019 -2.552 16.851 1.00 17.54 H new ATOM 2284 N GLU B 39 11.926 -0.820 13.142 1.00 14.24 N ATOM 2285 CA GLU B 39 13.326 -0.800 12.737 1.00 13.70 C ATOM 2286 C GLU B 39 13.493 0.061 11.493 1.00 13.37 C ATOM 2287 O GLU B 39 14.453 0.821 11.376 1.00 13.53 O ATOM 2288 CB GLU B 39 13.840 -2.218 12.469 1.00 13.16 C ATOM 2289 CG GLU B 39 13.722 -3.145 13.668 1.00 13.35 C ATOM 2290 CD GLU B 39 14.395 -4.483 13.441 1.00 12.51 C ATOM 2291 OE1 GLU B 39 13.784 -5.361 12.800 1.00 12.57 O ATOM 2292 OE2 GLU B 39 15.535 -4.664 13.912 1.00 12.54 O ATOM 0 H GLU B 39 11.418 -1.661 12.869 1.00 14.24 H new ATOM 0 HA GLU B 39 13.913 -0.374 13.551 1.00 13.70 H new ATOM 0 HB2 GLU B 39 13.284 -2.645 11.634 1.00 13.16 H new ATOM 0 HB3 GLU B 39 14.885 -2.165 12.163 1.00 13.16 H new ATOM 0 HG2 GLU B 39 14.165 -2.663 14.540 1.00 13.35 H new ATOM 0 HG3 GLU B 39 12.668 -3.307 13.895 1.00 13.35 H new ATOM 2299 N LEU B 40 12.532 -0.043 10.582 1.00 12.99 N ATOM 2300 CA LEU B 40 12.563 0.721 9.339 1.00 12.68 C ATOM 2301 C LEU B 40 12.243 2.191 9.587 1.00 12.42 C ATOM 2302 O LEU B 40 12.773 3.072 8.913 1.00 12.12 O ATOM 2303 CB LEU B 40 11.569 0.150 8.318 1.00 13.01 C ATOM 2304 CG LEU B 40 12.044 -1.074 7.527 1.00 13.16 C ATOM 2305 CD1 LEU B 40 13.510 -0.939 7.147 1.00 13.20 C ATOM 2306 CD2 LEU B 40 11.808 -2.346 8.319 1.00 14.03 C ATOM 0 H LEU B 40 11.719 -0.651 10.681 1.00 12.99 H new ATOM 0 HA LEU B 40 13.573 0.642 8.937 1.00 12.68 H new ATOM 0 HB2 LEU B 40 10.652 -0.116 8.844 1.00 13.01 H new ATOM 0 HB3 LEU B 40 11.314 0.938 7.610 1.00 13.01 H new ATOM 0 HG LEU B 40 11.462 -1.131 6.607 1.00 13.16 H new ATOM 0 HD11 LEU B 40 13.823 -1.820 6.587 1.00 13.20 H new ATOM 0 HD12 LEU B 40 13.646 -0.050 6.531 1.00 13.20 H new ATOM 0 HD13 LEU B 40 14.113 -0.850 8.050 1.00 13.20 H new ATOM 0 HD21 LEU B 40 12.152 -3.204 7.741 1.00 14.03 H new ATOM 0 HD22 LEU B 40 12.359 -2.297 9.258 1.00 14.03 H new ATOM 0 HD23 LEU B 40 10.744 -2.452 8.528 1.00 14.03 H new ATOM 2318 N LEU B 41 11.365 2.450 10.552 1.00 12.56 N ATOM 2319 CA LEU B 41 10.965 3.815 10.879 1.00 12.35 C ATOM 2320 C LEU B 41 12.165 4.660 11.292 1.00 11.89 C ATOM 2321 O LEU B 41 12.802 4.400 12.316 1.00 11.86 O ATOM 2322 CB LEU B 41 9.917 3.816 11.997 1.00 13.17 C ATOM 2323 CG LEU B 41 8.635 3.040 11.693 1.00 13.46 C ATOM 2324 CD1 LEU B 41 7.622 3.231 12.808 1.00 13.62 C ATOM 2325 CD2 LEU B 41 8.047 3.467 10.359 1.00 13.49 C ATOM 0 H LEU B 41 10.917 1.732 11.121 1.00 12.56 H new ATOM 0 HA LEU B 41 10.529 4.255 9.982 1.00 12.35 H new ATOM 0 HB2 LEU B 41 10.370 3.399 12.897 1.00 13.17 H new ATOM 0 HB3 LEU B 41 9.652 4.849 12.223 1.00 13.17 H new ATOM 0 HG LEU B 41 8.885 1.981 11.629 1.00 13.46 H new ATOM 0 HD11 LEU B 41 6.716 2.672 12.576 1.00 13.62 H new ATOM 0 HD12 LEU B 41 8.041 2.869 13.747 1.00 13.62 H new ATOM 0 HD13 LEU B 41 7.381 4.290 12.903 1.00 13.62 H new ATOM 0 HD21 LEU B 41 7.136 2.901 10.165 1.00 13.49 H new ATOM 0 HD22 LEU B 41 7.814 4.531 10.388 1.00 13.49 H new ATOM 0 HD23 LEU B 41 8.769 3.276 9.565 1.00 13.49 H new ATOM 2337 N GLY B 42 12.471 5.665 10.481 1.00 11.62 N ATOM 2338 CA GLY B 42 13.588 6.544 10.766 1.00 11.31 C ATOM 2339 C GLY B 42 14.836 6.164 9.992 1.00 11.25 C ATOM 2340 O GLY B 42 15.829 6.894 10.002 1.00 11.52 O ATOM 0 H GLY B 42 11.962 5.888 9.626 1.00 11.62 H new ATOM 0 HA2 GLY B 42 13.311 7.570 10.522 1.00 11.31 H new ATOM 0 HA3 GLY B 42 13.804 6.518 11.834 1.00 11.31 H new ATOM 2344 N LYS B 43 14.785 5.028 9.313 1.00 10.99 N ATOM 2345 CA LYS B 43 15.919 4.547 8.536 1.00 11.02 C ATOM 2346 C LYS B 43 15.647 4.671 7.043 1.00 10.14 C ATOM 2347 O LYS B 43 14.511 4.909 6.627 1.00 9.53 O ATOM 2348 CB LYS B 43 16.228 3.090 8.889 1.00 11.75 C ATOM 2349 CG LYS B 43 16.841 2.899 10.270 1.00 12.72 C ATOM 2350 CD LYS B 43 18.306 3.308 10.297 1.00 13.24 C ATOM 2351 CE LYS B 43 18.472 4.792 10.596 1.00 13.72 C ATOM 2352 NZ LYS B 43 19.443 5.436 9.674 1.00 13.82 N ATOM 0 H LYS B 43 13.967 4.419 9.284 1.00 10.99 H new ATOM 0 HA LYS B 43 16.783 5.164 8.783 1.00 11.02 H new ATOM 0 HB2 LYS B 43 15.307 2.510 8.829 1.00 11.75 H new ATOM 0 HB3 LYS B 43 16.910 2.683 8.142 1.00 11.75 H new ATOM 0 HG2 LYS B 43 16.285 3.488 10.999 1.00 12.72 H new ATOM 0 HG3 LYS B 43 16.749 1.854 10.568 1.00 12.72 H new ATOM 0 HD2 LYS B 43 18.833 2.724 11.051 1.00 13.24 H new ATOM 0 HD3 LYS B 43 18.766 3.077 9.336 1.00 13.24 H new ATOM 0 HE2 LYS B 43 17.506 5.290 10.512 1.00 13.72 H new ATOM 0 HE3 LYS B 43 18.808 4.920 11.625 1.00 13.72 H new ATOM 0 HZ1 LYS B 43 19.490 6.455 9.876 1.00 13.82 H new ATOM 0 HZ2 LYS B 43 20.383 5.012 9.809 1.00 13.82 H new ATOM 0 HZ3 LYS B 43 19.136 5.292 8.691 1.00 13.82 H new ATOM 2366 N ASN B 44 16.699 4.524 6.251 1.00 10.16 N ATOM 2367 CA ASN B 44 16.596 4.609 4.803 1.00 9.44 C ATOM 2368 C ASN B 44 16.637 3.215 4.197 1.00 9.58 C ATOM 2369 O ASN B 44 17.285 2.313 4.731 1.00 10.05 O ATOM 2370 CB ASN B 44 17.738 5.454 4.225 1.00 8.98 C ATOM 2371 CG ASN B 44 17.714 6.893 4.700 1.00 8.84 C ATOM 2372 OD1 ASN B 44 18.175 7.203 5.796 1.00 9.30 O ATOM 2373 ND2 ASN B 44 17.205 7.791 3.870 1.00 8.30 N ATOM 0 H ASN B 44 17.643 4.343 6.592 1.00 10.16 H new ATOM 0 HA ASN B 44 15.648 5.086 4.555 1.00 9.44 H new ATOM 0 HB2 ASN B 44 18.691 5.003 4.501 1.00 8.98 H new ATOM 0 HB3 ASN B 44 17.680 5.436 3.137 1.00 8.98 H new ATOM 0 HD21 ASN B 44 17.187 8.776 4.133 1.00 8.30 H new ATOM 0 HD22 ASN B 44 16.831 7.497 2.968 1.00 8.30 H new ATOM 2380 N ILE B 45 15.963 3.044 3.070 1.00 9.27 N ATOM 2381 CA ILE B 45 15.917 1.754 2.392 1.00 9.41 C ATOM 2382 C ILE B 45 17.271 1.427 1.750 1.00 9.62 C ATOM 2383 O ILE B 45 17.639 0.262 1.608 1.00 9.60 O ATOM 2384 CB ILE B 45 14.791 1.725 1.324 1.00 9.37 C ATOM 2385 CG1 ILE B 45 14.702 0.348 0.657 1.00 9.51 C ATOM 2386 CG2 ILE B 45 15.007 2.811 0.279 1.00 9.43 C ATOM 2387 CD1 ILE B 45 13.458 0.161 -0.186 1.00 9.46 C ATOM 0 H ILE B 45 15.438 3.784 2.603 1.00 9.27 H new ATOM 0 HA ILE B 45 15.697 0.993 3.140 1.00 9.41 H new ATOM 0 HB ILE B 45 13.846 1.920 1.830 1.00 9.37 H new ATOM 0 HG12 ILE B 45 15.581 0.200 0.030 1.00 9.51 H new ATOM 0 HG13 ILE B 45 14.727 -0.422 1.428 1.00 9.51 H new ATOM 0 HG21 ILE B 45 14.205 2.771 -0.459 1.00 9.43 H new ATOM 0 HG22 ILE B 45 15.006 3.787 0.763 1.00 9.43 H new ATOM 0 HG23 ILE B 45 15.965 2.653 -0.217 1.00 9.43 H new ATOM 0 HD11 ILE B 45 13.463 -0.836 -0.626 1.00 9.46 H new ATOM 0 HD12 ILE B 45 12.573 0.276 0.440 1.00 9.46 H new ATOM 0 HD13 ILE B 45 13.441 0.908 -0.980 1.00 9.46 H new ATOM 2399 N VAL B 46 18.024 2.465 1.400 1.00 9.93 N ATOM 2400 CA VAL B 46 19.329 2.289 0.772 1.00 10.30 C ATOM 2401 C VAL B 46 20.367 1.764 1.774 1.00 10.43 C ATOM 2402 O VAL B 46 21.381 1.178 1.389 1.00 10.29 O ATOM 2403 CB VAL B 46 19.823 3.616 0.147 1.00 10.71 C ATOM 2404 CG1 VAL B 46 20.232 4.609 1.226 1.00 11.50 C ATOM 2405 CG2 VAL B 46 20.966 3.366 -0.824 1.00 11.12 C ATOM 0 H VAL B 46 17.752 3.438 1.541 1.00 9.93 H new ATOM 0 HA VAL B 46 19.212 1.548 -0.019 1.00 10.30 H new ATOM 0 HB VAL B 46 18.995 4.052 -0.412 1.00 10.71 H new ATOM 0 HG11 VAL B 46 20.575 5.532 0.759 1.00 11.50 H new ATOM 0 HG12 VAL B 46 19.377 4.822 1.867 1.00 11.50 H new ATOM 0 HG13 VAL B 46 21.038 4.184 1.825 1.00 11.50 H new ATOM 0 HG21 VAL B 46 21.295 4.314 -1.250 1.00 11.12 H new ATOM 0 HG22 VAL B 46 21.796 2.897 -0.296 1.00 11.12 H new ATOM 0 HG23 VAL B 46 20.627 2.707 -1.624 1.00 11.12 H new ATOM 2415 N GLU B 47 20.089 1.951 3.062 1.00 10.71 N ATOM 2416 CA GLU B 47 20.998 1.512 4.116 1.00 10.91 C ATOM 2417 C GLU B 47 21.018 -0.007 4.221 1.00 11.16 C ATOM 2418 O GLU B 47 22.053 -0.608 4.510 1.00 11.89 O ATOM 2419 CB GLU B 47 20.591 2.123 5.459 1.00 10.79 C ATOM 2420 CG GLU B 47 20.582 3.643 5.458 1.00 10.56 C ATOM 2421 CD GLU B 47 20.350 4.225 6.836 1.00 10.89 C ATOM 2422 OE1 GLU B 47 19.180 4.356 7.245 1.00 10.95 O ATOM 2423 OE2 GLU B 47 21.339 4.556 7.520 1.00 11.17 O ATOM 0 H GLU B 47 19.240 2.404 3.401 1.00 10.71 H new ATOM 0 HA GLU B 47 22.001 1.853 3.859 1.00 10.91 H new ATOM 0 HB2 GLU B 47 19.598 1.762 5.727 1.00 10.79 H new ATOM 0 HB3 GLU B 47 21.276 1.773 6.231 1.00 10.79 H new ATOM 0 HG2 GLU B 47 21.533 4.008 5.069 1.00 10.56 H new ATOM 0 HG3 GLU B 47 19.804 3.998 4.782 1.00 10.56 H new ATOM 2430 N PHE B 48 19.873 -0.623 3.974 1.00 10.58 N ATOM 2431 CA PHE B 48 19.758 -2.071 4.040 1.00 10.76 C ATOM 2432 C PHE B 48 19.742 -2.660 2.637 1.00 9.96 C ATOM 2433 O PHE B 48 19.196 -3.739 2.407 1.00 9.35 O ATOM 2434 CB PHE B 48 18.488 -2.469 4.796 1.00 11.00 C ATOM 2435 CG PHE B 48 18.320 -1.761 6.110 1.00 11.61 C ATOM 2436 CD1 PHE B 48 19.137 -2.064 7.186 1.00 12.05 C ATOM 2437 CD2 PHE B 48 17.341 -0.796 6.268 1.00 11.83 C ATOM 2438 CE1 PHE B 48 18.981 -1.417 8.397 1.00 12.71 C ATOM 2439 CE2 PHE B 48 17.179 -0.145 7.476 1.00 12.47 C ATOM 2440 CZ PHE B 48 18.000 -0.456 8.542 1.00 13.60 C ATOM 0 H PHE B 48 19.009 -0.142 3.726 1.00 10.58 H new ATOM 0 HA PHE B 48 20.621 -2.466 4.577 1.00 10.76 H new ATOM 0 HB2 PHE B 48 17.622 -2.261 4.168 1.00 11.00 H new ATOM 0 HB3 PHE B 48 18.503 -3.545 4.972 1.00 11.00 H new ATOM 0 HD1 PHE B 48 19.905 -2.815 7.078 1.00 12.05 H new ATOM 0 HD2 PHE B 48 16.696 -0.549 5.438 1.00 11.83 H new ATOM 0 HE1 PHE B 48 19.625 -1.662 9.228 1.00 12.71 H new ATOM 0 HE2 PHE B 48 16.411 0.606 7.586 1.00 12.47 H new ATOM 0 HZ PHE B 48 17.875 0.051 9.487 1.00 13.60 H new ATOM 2450 N CYS B 49 20.347 -1.946 1.701 1.00 10.07 N ATOM 2451 CA CYS B 49 20.395 -2.392 0.319 1.00 9.47 C ATOM 2452 C CYS B 49 21.795 -2.862 -0.057 1.00 9.93 C ATOM 2453 O CYS B 49 22.793 -2.418 0.523 1.00 10.81 O ATOM 2454 CB CYS B 49 19.946 -1.267 -0.618 1.00 9.48 C ATOM 2455 SG CYS B 49 19.789 -1.762 -2.351 1.00 9.00 S ATOM 0 H CYS B 49 20.812 -1.055 1.874 1.00 10.07 H new ATOM 0 HA CYS B 49 19.713 -3.236 0.212 1.00 9.47 H new ATOM 0 HB2 CYS B 49 18.986 -0.884 -0.273 1.00 9.48 H new ATOM 0 HB3 CYS B 49 20.660 -0.446 -0.550 1.00 9.48 H new ATOM 0 HG CYS B 49 18.679 -2.418 -2.516 1.00 9.00 H new ATOM 2461 N HIS B 50 21.850 -3.774 -1.020 1.00 9.34 N ATOM 2462 CA HIS B 50 23.105 -4.322 -1.517 1.00 9.67 C ATOM 2463 C HIS B 50 23.925 -3.210 -2.171 1.00 9.57 C ATOM 2464 O HIS B 50 23.401 -2.462 -2.988 1.00 9.10 O ATOM 2465 CB HIS B 50 22.795 -5.431 -2.527 1.00 9.86 C ATOM 2466 CG HIS B 50 23.960 -6.285 -2.922 1.00 10.44 C ATOM 2467 ND1 HIS B 50 24.248 -6.578 -4.235 1.00 10.42 N ATOM 2468 CD2 HIS B 50 24.882 -6.940 -2.178 1.00 11.13 C ATOM 2469 CE1 HIS B 50 25.295 -7.380 -4.285 1.00 11.06 C ATOM 2470 NE2 HIS B 50 25.698 -7.614 -3.051 1.00 11.49 N ATOM 0 H HIS B 50 21.023 -4.155 -1.479 1.00 9.34 H new ATOM 0 HA HIS B 50 23.686 -4.740 -0.695 1.00 9.67 H new ATOM 0 HB2 HIS B 50 22.021 -6.074 -2.109 1.00 9.86 H new ATOM 0 HB3 HIS B 50 22.380 -4.975 -3.426 1.00 9.86 H new ATOM 0 HD1 HIS B 50 23.733 -6.230 -5.044 1.00 10.42 H new ATOM 0 HD2 HIS B 50 24.960 -6.933 -1.101 1.00 11.13 H new ATOM 0 HE1 HIS B 50 25.745 -7.777 -5.183 1.00 11.06 H new ATOM 2479 N PRO B 51 25.213 -3.082 -1.802 1.00 10.07 N ATOM 2480 CA PRO B 51 26.115 -2.049 -2.337 1.00 10.05 C ATOM 2481 C PRO B 51 26.015 -1.843 -3.852 1.00 9.24 C ATOM 2482 O PRO B 51 25.841 -0.716 -4.314 1.00 9.13 O ATOM 2483 CB PRO B 51 27.495 -2.578 -1.957 1.00 10.76 C ATOM 2484 CG PRO B 51 27.269 -3.321 -0.689 1.00 11.35 C ATOM 2485 CD PRO B 51 25.892 -3.922 -0.796 1.00 10.77 C ATOM 0 HA PRO B 51 25.872 -1.067 -1.932 1.00 10.05 H new ATOM 0 HB2 PRO B 51 27.899 -3.229 -2.733 1.00 10.76 H new ATOM 0 HB3 PRO B 51 28.208 -1.765 -1.820 1.00 10.76 H new ATOM 0 HG2 PRO B 51 28.023 -4.096 -0.552 1.00 11.35 H new ATOM 0 HG3 PRO B 51 27.337 -2.654 0.171 1.00 11.35 H new ATOM 0 HD2 PRO B 51 25.935 -4.965 -1.110 1.00 10.77 H new ATOM 0 HD3 PRO B 51 25.371 -3.899 0.161 1.00 10.77 H new ATOM 2493 N GLU B 52 26.107 -2.924 -4.621 1.00 8.71 N ATOM 2494 CA GLU B 52 26.043 -2.832 -6.084 1.00 7.99 C ATOM 2495 C GLU B 52 24.628 -2.534 -6.588 1.00 7.30 C ATOM 2496 O GLU B 52 24.416 -2.348 -7.788 1.00 7.14 O ATOM 2497 CB GLU B 52 26.558 -4.123 -6.725 1.00 7.73 C ATOM 2498 CG GLU B 52 27.971 -4.489 -6.304 1.00 8.39 C ATOM 2499 CD GLU B 52 27.989 -5.558 -5.236 1.00 8.75 C ATOM 2500 OE1 GLU B 52 27.910 -5.213 -4.038 1.00 8.56 O ATOM 2501 OE2 GLU B 52 28.081 -6.751 -5.591 1.00 9.28 O ATOM 0 H GLU B 52 26.226 -3.871 -4.262 1.00 8.71 H new ATOM 0 HA GLU B 52 26.681 -1.998 -6.376 1.00 7.99 H new ATOM 0 HB2 GLU B 52 25.887 -4.941 -6.464 1.00 7.73 H new ATOM 0 HB3 GLU B 52 26.527 -4.018 -7.809 1.00 7.73 H new ATOM 0 HG2 GLU B 52 28.529 -4.837 -7.173 1.00 8.39 H new ATOM 0 HG3 GLU B 52 28.480 -3.599 -5.934 1.00 8.39 H new ATOM 2508 N ASP B 53 23.664 -2.481 -5.682 1.00 6.93 N ATOM 2509 CA ASP B 53 22.278 -2.210 -6.057 1.00 6.34 C ATOM 2510 C ASP B 53 21.784 -0.924 -5.402 1.00 5.91 C ATOM 2511 O ASP B 53 20.622 -0.542 -5.551 1.00 5.54 O ATOM 2512 CB ASP B 53 21.376 -3.382 -5.654 1.00 6.55 C ATOM 2513 CG ASP B 53 21.716 -4.667 -6.386 1.00 6.92 C ATOM 2514 OD1 ASP B 53 21.218 -4.866 -7.515 1.00 6.70 O ATOM 2515 OD2 ASP B 53 22.486 -5.484 -5.839 1.00 7.52 O ATOM 0 H ASP B 53 23.812 -2.621 -4.683 1.00 6.93 H new ATOM 0 HA ASP B 53 22.237 -2.088 -7.139 1.00 6.34 H new ATOM 0 HB2 ASP B 53 21.462 -3.548 -4.580 1.00 6.55 H new ATOM 0 HB3 ASP B 53 20.337 -3.120 -5.854 1.00 6.55 H new ATOM 2520 N GLN B 54 22.683 -0.250 -4.697 1.00 6.02 N ATOM 2521 CA GLN B 54 22.348 0.985 -3.998 1.00 5.71 C ATOM 2522 C GLN B 54 22.044 2.115 -4.974 1.00 5.50 C ATOM 2523 O GLN B 54 21.030 2.806 -4.839 1.00 5.31 O ATOM 2524 CB GLN B 54 23.483 1.386 -3.057 1.00 5.84 C ATOM 2525 CG GLN B 54 23.417 0.687 -1.709 1.00 6.08 C ATOM 2526 CD GLN B 54 24.531 1.106 -0.771 1.00 6.24 C ATOM 2527 OE1 GLN B 54 25.666 1.344 -1.191 1.00 6.57 O ATOM 2528 NE2 GLN B 54 24.207 1.212 0.506 1.00 6.11 N ATOM 0 H GLN B 54 23.656 -0.539 -4.593 1.00 6.02 H new ATOM 0 HA GLN B 54 21.448 0.802 -3.411 1.00 5.71 H new ATOM 0 HB2 GLN B 54 24.438 1.158 -3.531 1.00 5.84 H new ATOM 0 HB3 GLN B 54 23.454 2.465 -2.902 1.00 5.84 H new ATOM 0 HG2 GLN B 54 22.456 0.901 -1.241 1.00 6.08 H new ATOM 0 HG3 GLN B 54 23.464 -0.391 -1.862 1.00 6.08 H new ATOM 0 HE21 GLN B 54 23.255 1.005 0.810 1.00 6.11 H new ATOM 0 HE22 GLN B 54 24.909 1.501 1.188 1.00 6.11 H new ATOM 2537 N GLN B 55 22.910 2.300 -5.960 1.00 5.71 N ATOM 2538 CA GLN B 55 22.710 3.349 -6.951 1.00 5.60 C ATOM 2539 C GLN B 55 21.461 3.054 -7.772 1.00 4.67 C ATOM 2540 O GLN B 55 20.738 3.965 -8.175 1.00 4.24 O ATOM 2541 CB GLN B 55 23.938 3.480 -7.860 1.00 6.32 C ATOM 2542 CG GLN B 55 23.763 4.486 -8.993 1.00 6.58 C ATOM 2543 CD GLN B 55 23.345 5.864 -8.506 1.00 6.45 C ATOM 2544 OE1 GLN B 55 23.737 6.305 -7.426 1.00 6.54 O ATOM 2545 NE2 GLN B 55 22.548 6.555 -9.303 1.00 6.35 N ATOM 0 H GLN B 55 23.753 1.742 -6.095 1.00 5.71 H new ATOM 0 HA GLN B 55 22.574 4.299 -6.433 1.00 5.60 H new ATOM 0 HB2 GLN B 55 24.796 3.774 -7.255 1.00 6.32 H new ATOM 0 HB3 GLN B 55 24.168 2.504 -8.286 1.00 6.32 H new ATOM 0 HG2 GLN B 55 24.700 4.570 -9.544 1.00 6.58 H new ATOM 0 HG3 GLN B 55 23.015 4.111 -9.692 1.00 6.58 H new ATOM 0 HE21 GLN B 55 22.244 6.156 -10.191 1.00 6.35 H new ATOM 0 HE22 GLN B 55 22.237 7.487 -9.030 1.00 6.35 H new ATOM 2554 N LEU B 56 21.199 1.771 -7.991 1.00 4.60 N ATOM 2555 CA LEU B 56 20.034 1.344 -8.754 1.00 4.04 C ATOM 2556 C LEU B 56 18.757 1.805 -8.058 1.00 4.15 C ATOM 2557 O LEU B 56 17.798 2.229 -8.708 1.00 4.24 O ATOM 2558 CB LEU B 56 20.028 -0.178 -8.909 1.00 3.86 C ATOM 2559 CG LEU B 56 19.017 -0.725 -9.915 1.00 3.93 C ATOM 2560 CD1 LEU B 56 19.422 -0.349 -11.332 1.00 3.88 C ATOM 2561 CD2 LEU B 56 18.890 -2.234 -9.772 1.00 4.08 C ATOM 0 H LEU B 56 21.781 1.006 -7.649 1.00 4.60 H new ATOM 0 HA LEU B 56 20.080 1.795 -9.745 1.00 4.04 H new ATOM 0 HB2 LEU B 56 21.025 -0.501 -9.208 1.00 3.86 H new ATOM 0 HB3 LEU B 56 19.827 -0.626 -7.936 1.00 3.86 H new ATOM 0 HG LEU B 56 18.044 -0.279 -9.709 1.00 3.93 H new ATOM 0 HD11 LEU B 56 18.691 -0.746 -12.037 1.00 3.88 H new ATOM 0 HD12 LEU B 56 19.461 0.736 -11.423 1.00 3.88 H new ATOM 0 HD13 LEU B 56 20.404 -0.767 -11.553 1.00 3.88 H new ATOM 0 HD21 LEU B 56 18.166 -2.608 -10.496 1.00 4.08 H new ATOM 0 HD22 LEU B 56 19.859 -2.700 -9.954 1.00 4.08 H new ATOM 0 HD23 LEU B 56 18.554 -2.477 -8.764 1.00 4.08 H new ATOM 2573 N LEU B 57 18.760 1.724 -6.733 1.00 4.29 N ATOM 2574 CA LEU B 57 17.618 2.146 -5.936 1.00 4.67 C ATOM 2575 C LEU B 57 17.421 3.653 -6.052 1.00 4.68 C ATOM 2576 O LEU B 57 16.311 4.131 -6.286 1.00 4.66 O ATOM 2577 CB LEU B 57 17.823 1.762 -4.468 1.00 5.46 C ATOM 2578 CG LEU B 57 16.792 0.793 -3.888 1.00 5.72 C ATOM 2579 CD1 LEU B 57 17.055 0.568 -2.409 1.00 6.40 C ATOM 2580 CD2 LEU B 57 15.382 1.323 -4.100 1.00 5.94 C ATOM 0 H LEU B 57 19.545 1.368 -6.187 1.00 4.29 H new ATOM 0 HA LEU B 57 16.729 1.641 -6.313 1.00 4.67 H new ATOM 0 HB2 LEU B 57 18.813 1.317 -4.362 1.00 5.46 H new ATOM 0 HB3 LEU B 57 17.817 2.672 -3.869 1.00 5.46 H new ATOM 0 HG LEU B 57 16.883 -0.161 -4.408 1.00 5.72 H new ATOM 0 HD11 LEU B 57 16.314 -0.124 -2.009 1.00 6.40 H new ATOM 0 HD12 LEU B 57 18.052 0.148 -2.277 1.00 6.40 H new ATOM 0 HD13 LEU B 57 16.988 1.518 -1.879 1.00 6.40 H new ATOM 0 HD21 LEU B 57 14.662 0.620 -3.681 1.00 5.94 H new ATOM 0 HD22 LEU B 57 15.278 2.288 -3.604 1.00 5.94 H new ATOM 0 HD23 LEU B 57 15.194 1.441 -5.167 1.00 5.94 H new ATOM 2592 N ARG B 58 18.514 4.393 -5.897 1.00 4.80 N ATOM 2593 CA ARG B 58 18.478 5.849 -5.978 1.00 4.96 C ATOM 2594 C ARG B 58 18.023 6.310 -7.361 1.00 4.70 C ATOM 2595 O ARG B 58 17.166 7.187 -7.482 1.00 4.35 O ATOM 2596 CB ARG B 58 19.856 6.428 -5.656 1.00 5.25 C ATOM 2597 CG ARG B 58 19.866 7.941 -5.521 1.00 5.73 C ATOM 2598 CD ARG B 58 21.229 8.455 -5.094 1.00 6.55 C ATOM 2599 NE ARG B 58 21.226 9.901 -4.875 1.00 7.05 N ATOM 2600 CZ ARG B 58 22.295 10.683 -5.035 1.00 7.71 C ATOM 2601 NH1 ARG B 58 23.468 10.161 -5.370 1.00 8.02 N ATOM 2602 NH2 ARG B 58 22.197 11.988 -4.839 1.00 8.18 N ATOM 0 H ARG B 58 19.440 4.006 -5.714 1.00 4.80 H new ATOM 0 HA ARG B 58 17.758 6.213 -5.245 1.00 4.96 H new ATOM 0 HB2 ARG B 58 20.218 5.987 -4.727 1.00 5.25 H new ATOM 0 HB3 ARG B 58 20.555 6.137 -6.440 1.00 5.25 H new ATOM 0 HG2 ARG B 58 19.588 8.394 -6.473 1.00 5.73 H new ATOM 0 HG3 ARG B 58 19.116 8.247 -4.791 1.00 5.73 H new ATOM 0 HD2 ARG B 58 21.536 7.950 -4.178 1.00 6.55 H new ATOM 0 HD3 ARG B 58 21.966 8.206 -5.858 1.00 6.55 H new ATOM 0 HE ARG B 58 20.353 10.339 -4.582 1.00 7.05 H new ATOM 0 HH11 ARG B 58 23.558 9.154 -5.507 1.00 8.02 H new ATOM 0 HH12 ARG B 58 24.280 10.766 -5.490 1.00 8.02 H new ATOM 0 HH21 ARG B 58 21.304 12.397 -4.565 1.00 8.18 H new ATOM 0 HH22 ARG B 58 23.015 12.585 -4.962 1.00 8.18 H new ATOM 2616 N ASP B 59 18.592 5.704 -8.397 1.00 5.14 N ATOM 2617 CA ASP B 59 18.252 6.048 -9.775 1.00 5.25 C ATOM 2618 C ASP B 59 16.767 5.838 -10.041 1.00 5.09 C ATOM 2619 O ASP B 59 16.105 6.695 -10.629 1.00 5.01 O ATOM 2620 CB ASP B 59 19.073 5.212 -10.760 1.00 6.03 C ATOM 2621 CG ASP B 59 18.734 5.530 -12.204 1.00 6.00 C ATOM 2622 OD1 ASP B 59 18.864 6.706 -12.603 1.00 6.07 O ATOM 2623 OD2 ASP B 59 18.342 4.607 -12.949 1.00 6.01 O ATOM 0 H ASP B 59 19.294 4.969 -8.309 1.00 5.14 H new ATOM 0 HA ASP B 59 18.488 7.102 -9.919 1.00 5.25 H new ATOM 0 HB2 ASP B 59 20.134 5.392 -10.590 1.00 6.03 H new ATOM 0 HB3 ASP B 59 18.895 4.153 -10.572 1.00 6.03 H new ATOM 2628 N SER B 60 16.247 4.702 -9.598 1.00 5.19 N ATOM 2629 CA SER B 60 14.841 4.382 -9.790 1.00 5.23 C ATOM 2630 C SER B 60 13.953 5.328 -8.985 1.00 5.38 C ATOM 2631 O SER B 60 12.880 5.724 -9.442 1.00 5.59 O ATOM 2632 CB SER B 60 14.574 2.931 -9.396 1.00 5.37 C ATOM 2633 OG SER B 60 15.480 2.058 -10.051 1.00 5.26 O ATOM 0 H SER B 60 16.779 3.986 -9.103 1.00 5.19 H new ATOM 0 HA SER B 60 14.599 4.509 -10.845 1.00 5.23 H new ATOM 0 HB2 SER B 60 14.670 2.819 -8.316 1.00 5.37 H new ATOM 0 HB3 SER B 60 13.550 2.661 -9.655 1.00 5.37 H new ATOM 0 HG SER B 60 16.343 2.074 -9.587 1.00 5.26 H new ATOM 2639 N PHE B 61 14.411 5.705 -7.795 1.00 5.36 N ATOM 2640 CA PHE B 61 13.653 6.616 -6.945 1.00 5.54 C ATOM 2641 C PHE B 61 13.530 7.982 -7.603 1.00 5.60 C ATOM 2642 O PHE B 61 12.462 8.586 -7.599 1.00 5.81 O ATOM 2643 CB PHE B 61 14.308 6.756 -5.570 1.00 5.66 C ATOM 2644 CG PHE B 61 13.833 5.738 -4.571 1.00 6.31 C ATOM 2645 CD1 PHE B 61 12.752 4.918 -4.854 1.00 6.46 C ATOM 2646 CD2 PHE B 61 14.469 5.603 -3.351 1.00 6.89 C ATOM 2647 CE1 PHE B 61 12.315 3.985 -3.936 1.00 7.15 C ATOM 2648 CE2 PHE B 61 14.036 4.672 -2.429 1.00 7.61 C ATOM 2649 CZ PHE B 61 12.959 3.859 -2.723 1.00 7.73 C ATOM 0 H PHE B 61 15.299 5.395 -7.399 1.00 5.36 H new ATOM 0 HA PHE B 61 12.656 6.196 -6.811 1.00 5.54 H new ATOM 0 HB2 PHE B 61 15.389 6.667 -5.681 1.00 5.66 H new ATOM 0 HB3 PHE B 61 14.108 7.755 -5.182 1.00 5.66 H new ATOM 0 HD1 PHE B 61 12.246 5.010 -5.804 1.00 6.46 H new ATOM 0 HD2 PHE B 61 15.314 6.233 -3.117 1.00 6.89 H new ATOM 0 HE1 PHE B 61 11.469 3.354 -4.167 1.00 7.15 H new ATOM 0 HE2 PHE B 61 14.539 4.579 -1.478 1.00 7.61 H new ATOM 0 HZ PHE B 61 12.622 3.126 -2.005 1.00 7.73 H new ATOM 2659 N GLN B 62 14.620 8.462 -8.184 1.00 5.57 N ATOM 2660 CA GLN B 62 14.607 9.755 -8.852 1.00 5.90 C ATOM 2661 C GLN B 62 13.684 9.717 -10.067 1.00 6.02 C ATOM 2662 O GLN B 62 13.099 10.727 -10.451 1.00 5.80 O ATOM 2663 CB GLN B 62 16.020 10.161 -9.272 1.00 6.31 C ATOM 2664 CG GLN B 62 16.961 10.401 -8.100 1.00 6.71 C ATOM 2665 CD GLN B 62 16.434 11.432 -7.114 1.00 6.63 C ATOM 2666 OE1 GLN B 62 15.714 12.426 -7.614 1.00 6.49 O flip ATOM 2667 NE2 GLN B 62 16.680 11.338 -5.913 1.00 6.89 N flip ATOM 0 H GLN B 62 15.518 7.980 -8.207 1.00 5.57 H new ATOM 0 HA GLN B 62 14.230 10.499 -8.150 1.00 5.90 H new ATOM 0 HB2 GLN B 62 16.438 9.382 -9.909 1.00 6.31 H new ATOM 0 HB3 GLN B 62 15.964 11.068 -9.874 1.00 6.31 H new ATOM 0 HG2 GLN B 62 17.128 9.459 -7.577 1.00 6.71 H new ATOM 0 HG3 GLN B 62 17.928 10.731 -8.480 1.00 6.71 H new ATOM 0 HE21 GLN B 62 17.238 10.558 -5.566 1.00 6.89 H new ATOM 0 HE22 GLN B 62 16.326 12.040 -5.263 1.00 6.89 H new ATOM 2676 N GLN B 63 13.547 8.537 -10.656 1.00 6.58 N ATOM 2677 CA GLN B 63 12.696 8.359 -11.823 1.00 6.98 C ATOM 2678 C GLN B 63 11.225 8.319 -11.426 1.00 7.01 C ATOM 2679 O GLN B 63 10.375 8.867 -12.127 1.00 7.34 O ATOM 2680 CB GLN B 63 13.075 7.082 -12.572 1.00 7.70 C ATOM 2681 CG GLN B 63 14.394 7.190 -13.317 1.00 7.92 C ATOM 2682 CD GLN B 63 14.728 5.936 -14.100 1.00 8.79 C ATOM 2683 OE1 GLN B 63 14.343 5.796 -15.260 1.00 9.40 O ATOM 2684 NE2 GLN B 63 15.454 5.023 -13.478 1.00 8.92 N ATOM 0 H GLN B 63 14.016 7.687 -10.343 1.00 6.58 H new ATOM 0 HA GLN B 63 12.849 9.213 -12.483 1.00 6.98 H new ATOM 0 HB2 GLN B 63 13.133 6.257 -11.862 1.00 7.70 H new ATOM 0 HB3 GLN B 63 12.284 6.837 -13.281 1.00 7.70 H new ATOM 0 HG2 GLN B 63 14.353 8.039 -13.999 1.00 7.92 H new ATOM 0 HG3 GLN B 63 15.194 7.392 -12.604 1.00 7.92 H new ATOM 0 HE21 GLN B 63 15.753 5.178 -12.515 1.00 8.92 H new ATOM 0 HE22 GLN B 63 15.715 4.163 -13.961 1.00 8.92 H new ATOM 2693 N VAL B 64 10.927 7.692 -10.288 1.00 6.75 N ATOM 2694 CA VAL B 64 9.548 7.594 -9.819 1.00 6.88 C ATOM 2695 C VAL B 64 9.004 8.978 -9.465 1.00 6.48 C ATOM 2696 O VAL B 64 7.797 9.225 -9.556 1.00 6.34 O ATOM 2697 CB VAL B 64 9.399 6.625 -8.615 1.00 7.00 C ATOM 2698 CG1 VAL B 64 9.784 7.283 -7.297 1.00 6.47 C ATOM 2699 CG2 VAL B 64 7.981 6.092 -8.546 1.00 7.57 C ATOM 0 H VAL B 64 11.616 7.249 -9.680 1.00 6.75 H new ATOM 0 HA VAL B 64 8.960 7.178 -10.637 1.00 6.88 H new ATOM 0 HB VAL B 64 10.089 5.796 -8.775 1.00 7.00 H new ATOM 0 HG11 VAL B 64 9.664 6.567 -6.484 1.00 6.47 H new ATOM 0 HG12 VAL B 64 10.823 7.609 -7.343 1.00 6.47 H new ATOM 0 HG13 VAL B 64 9.141 8.145 -7.119 1.00 6.47 H new ATOM 0 HG21 VAL B 64 7.888 5.414 -7.698 1.00 7.57 H new ATOM 0 HG22 VAL B 64 7.286 6.923 -8.424 1.00 7.57 H new ATOM 0 HG23 VAL B 64 7.748 5.556 -9.466 1.00 7.57 H new ATOM 2709 N VAL B 65 9.904 9.882 -9.084 1.00 6.45 N ATOM 2710 CA VAL B 65 9.525 11.249 -8.747 1.00 6.37 C ATOM 2711 C VAL B 65 9.093 11.987 -10.011 1.00 6.93 C ATOM 2712 O VAL B 65 8.180 12.811 -9.990 1.00 7.43 O ATOM 2713 CB VAL B 65 10.692 12.005 -8.066 1.00 6.49 C ATOM 2714 CG1 VAL B 65 10.335 13.464 -7.813 1.00 6.77 C ATOM 2715 CG2 VAL B 65 11.074 11.327 -6.760 1.00 6.40 C ATOM 0 H VAL B 65 10.902 9.690 -9.001 1.00 6.45 H new ATOM 0 HA VAL B 65 8.694 11.210 -8.042 1.00 6.37 H new ATOM 0 HB VAL B 65 11.545 11.978 -8.744 1.00 6.49 H new ATOM 0 HG11 VAL B 65 11.175 13.966 -7.334 1.00 6.77 H new ATOM 0 HG12 VAL B 65 10.112 13.954 -8.761 1.00 6.77 H new ATOM 0 HG13 VAL B 65 9.462 13.517 -7.163 1.00 6.77 H new ATOM 0 HG21 VAL B 65 11.896 11.871 -6.294 1.00 6.40 H new ATOM 0 HG22 VAL B 65 10.216 11.321 -6.088 1.00 6.40 H new ATOM 0 HG23 VAL B 65 11.385 10.302 -6.960 1.00 6.40 H new ATOM 2725 N LYS B 66 9.746 11.659 -11.119 1.00 6.93 N ATOM 2726 CA LYS B 66 9.438 12.271 -12.406 1.00 7.52 C ATOM 2727 C LYS B 66 8.207 11.613 -13.029 1.00 7.28 C ATOM 2728 O LYS B 66 7.581 12.164 -13.936 1.00 7.59 O ATOM 2729 CB LYS B 66 10.636 12.146 -13.351 1.00 8.01 C ATOM 2730 CG LYS B 66 11.901 12.813 -12.828 1.00 8.37 C ATOM 2731 CD LYS B 66 13.102 12.500 -13.708 1.00 8.79 C ATOM 2732 CE LYS B 66 12.956 13.114 -15.090 1.00 9.69 C ATOM 2733 NZ LYS B 66 14.059 12.707 -16.000 1.00 10.21 N ATOM 0 H LYS B 66 10.496 10.969 -11.152 1.00 6.93 H new ATOM 0 HA LYS B 66 9.224 13.328 -12.245 1.00 7.52 H new ATOM 0 HB2 LYS B 66 10.839 11.090 -13.528 1.00 8.01 H new ATOM 0 HB3 LYS B 66 10.375 12.586 -14.314 1.00 8.01 H new ATOM 0 HG2 LYS B 66 11.753 13.892 -12.784 1.00 8.37 H new ATOM 0 HG3 LYS B 66 12.097 12.476 -11.810 1.00 8.37 H new ATOM 0 HD2 LYS B 66 14.009 12.877 -13.235 1.00 8.79 H new ATOM 0 HD3 LYS B 66 13.216 11.420 -13.799 1.00 8.79 H new ATOM 0 HE2 LYS B 66 12.001 12.814 -15.521 1.00 9.69 H new ATOM 0 HE3 LYS B 66 12.939 14.200 -15.004 1.00 9.69 H new ATOM 0 HZ1 LYS B 66 13.921 13.148 -16.932 1.00 10.21 H new ATOM 0 HZ2 LYS B 66 14.969 13.016 -15.602 1.00 10.21 H new ATOM 0 HZ3 LYS B 66 14.060 11.672 -16.103 1.00 10.21 H new ATOM 2747 N LEU B 67 7.876 10.424 -12.540 1.00 6.76 N ATOM 2748 CA LEU B 67 6.717 9.687 -13.029 1.00 6.53 C ATOM 2749 C LEU B 67 5.427 10.311 -12.509 1.00 6.28 C ATOM 2750 O LEU B 67 4.485 10.522 -13.270 1.00 6.36 O ATOM 2751 CB LEU B 67 6.795 8.222 -12.600 1.00 6.25 C ATOM 2752 CG LEU B 67 7.814 7.374 -13.363 1.00 6.32 C ATOM 2753 CD1 LEU B 67 7.976 6.015 -12.701 1.00 5.80 C ATOM 2754 CD2 LEU B 67 7.390 7.214 -14.815 1.00 7.20 C ATOM 0 H LEU B 67 8.396 9.948 -11.803 1.00 6.76 H new ATOM 0 HA LEU B 67 6.717 9.737 -14.118 1.00 6.53 H new ATOM 0 HB2 LEU B 67 7.037 8.183 -11.538 1.00 6.25 H new ATOM 0 HB3 LEU B 67 5.809 7.772 -12.719 1.00 6.25 H new ATOM 0 HG LEU B 67 8.777 7.885 -13.340 1.00 6.32 H new ATOM 0 HD11 LEU B 67 8.704 5.424 -13.256 1.00 5.80 H new ATOM 0 HD12 LEU B 67 8.323 6.148 -11.676 1.00 5.80 H new ATOM 0 HD13 LEU B 67 7.017 5.497 -12.695 1.00 5.80 H new ATOM 0 HD21 LEU B 67 8.126 6.608 -15.344 1.00 7.20 H new ATOM 0 HD22 LEU B 67 6.417 6.724 -14.858 1.00 7.20 H new ATOM 0 HD23 LEU B 67 7.323 8.195 -15.285 1.00 7.20 H new ATOM 2766 N LYS B 68 5.408 10.596 -11.208 1.00 6.08 N ATOM 2767 CA LYS B 68 4.258 11.215 -10.543 1.00 6.00 C ATOM 2768 C LYS B 68 2.970 10.408 -10.726 1.00 5.93 C ATOM 2769 O LYS B 68 2.210 10.629 -11.670 1.00 6.24 O ATOM 2770 CB LYS B 68 4.047 12.646 -11.046 1.00 6.26 C ATOM 2771 CG LYS B 68 5.059 13.642 -10.500 1.00 6.39 C ATOM 2772 CD LYS B 68 4.699 15.065 -10.890 1.00 6.79 C ATOM 2773 CE LYS B 68 5.586 16.078 -10.187 1.00 7.05 C ATOM 2774 NZ LYS B 68 5.071 17.465 -10.343 1.00 7.58 N ATOM 0 H LYS B 68 6.190 10.405 -10.582 1.00 6.08 H new ATOM 0 HA LYS B 68 4.488 11.233 -9.478 1.00 6.00 H new ATOM 0 HB2 LYS B 68 4.098 12.650 -12.135 1.00 6.26 H new ATOM 0 HB3 LYS B 68 3.044 12.974 -10.772 1.00 6.26 H new ATOM 0 HG2 LYS B 68 5.103 13.560 -9.414 1.00 6.39 H new ATOM 0 HG3 LYS B 68 6.052 13.399 -10.878 1.00 6.39 H new ATOM 0 HD2 LYS B 68 4.796 15.183 -11.969 1.00 6.79 H new ATOM 0 HD3 LYS B 68 3.656 15.259 -10.640 1.00 6.79 H new ATOM 0 HE2 LYS B 68 5.651 15.831 -9.127 1.00 7.05 H new ATOM 0 HE3 LYS B 68 6.597 16.018 -10.590 1.00 7.05 H new ATOM 0 HZ1 LYS B 68 5.754 18.137 -9.938 1.00 7.58 H new ATOM 0 HZ2 LYS B 68 4.937 17.674 -11.353 1.00 7.58 H new ATOM 0 HZ3 LYS B 68 4.161 17.555 -9.847 1.00 7.58 H new ATOM 2788 N GLY B 69 2.735 9.466 -9.825 1.00 5.57 N ATOM 2789 CA GLY B 69 1.530 8.665 -9.898 1.00 5.53 C ATOM 2790 C GLY B 69 1.756 7.340 -10.591 1.00 5.28 C ATOM 2791 O GLY B 69 0.851 6.514 -10.677 1.00 5.43 O ATOM 0 H GLY B 69 3.355 9.242 -9.047 1.00 5.57 H new ATOM 0 HA2 GLY B 69 1.156 8.485 -8.890 1.00 5.53 H new ATOM 0 HA3 GLY B 69 0.759 9.222 -10.430 1.00 5.53 H new ATOM 2795 N GLN B 70 2.960 7.138 -11.092 1.00 4.96 N ATOM 2796 CA GLN B 70 3.300 5.902 -11.778 1.00 4.76 C ATOM 2797 C GLN B 70 4.164 5.026 -10.883 1.00 4.34 C ATOM 2798 O GLN B 70 5.020 5.527 -10.152 1.00 3.78 O ATOM 2799 CB GLN B 70 4.024 6.197 -13.093 1.00 4.98 C ATOM 2800 CG GLN B 70 3.127 6.148 -14.321 1.00 5.08 C ATOM 2801 CD GLN B 70 1.985 7.140 -14.258 1.00 5.18 C ATOM 2802 OE1 GLN B 70 0.886 6.818 -13.804 1.00 5.27 O ATOM 2803 NE2 GLN B 70 2.235 8.355 -14.721 1.00 5.43 N ATOM 0 H GLN B 70 3.722 7.814 -11.038 1.00 4.96 H new ATOM 0 HA GLN B 70 2.378 5.368 -12.007 1.00 4.76 H new ATOM 0 HB2 GLN B 70 4.482 7.184 -13.030 1.00 4.98 H new ATOM 0 HB3 GLN B 70 4.834 5.478 -13.219 1.00 4.98 H new ATOM 0 HG2 GLN B 70 3.726 6.347 -15.210 1.00 5.08 H new ATOM 0 HG3 GLN B 70 2.722 5.142 -14.428 1.00 5.08 H new ATOM 0 HE21 GLN B 70 3.159 8.581 -15.089 1.00 5.43 H new ATOM 0 HE22 GLN B 70 1.503 9.065 -14.710 1.00 5.43 H new ATOM 2812 N VAL B 71 3.926 3.727 -10.934 1.00 4.77 N ATOM 2813 CA VAL B 71 4.678 2.785 -10.124 1.00 4.57 C ATOM 2814 C VAL B 71 5.882 2.239 -10.892 1.00 4.76 C ATOM 2815 O VAL B 71 5.772 1.848 -12.058 1.00 5.54 O ATOM 2816 CB VAL B 71 3.779 1.622 -9.633 1.00 5.23 C ATOM 2817 CG1 VAL B 71 3.153 0.870 -10.798 1.00 5.54 C ATOM 2818 CG2 VAL B 71 4.559 0.674 -8.738 1.00 5.65 C ATOM 0 H VAL B 71 3.216 3.300 -11.529 1.00 4.77 H new ATOM 0 HA VAL B 71 5.043 3.325 -9.250 1.00 4.57 H new ATOM 0 HB VAL B 71 2.970 2.058 -9.048 1.00 5.23 H new ATOM 0 HG11 VAL B 71 2.529 0.062 -10.416 1.00 5.54 H new ATOM 0 HG12 VAL B 71 2.541 1.554 -11.386 1.00 5.54 H new ATOM 0 HG13 VAL B 71 3.940 0.455 -11.428 1.00 5.54 H new ATOM 0 HG21 VAL B 71 3.906 -0.133 -8.407 1.00 5.65 H new ATOM 0 HG22 VAL B 71 5.399 0.257 -9.294 1.00 5.65 H new ATOM 0 HG23 VAL B 71 4.933 1.218 -7.870 1.00 5.65 H new ATOM 2828 N LEU B 72 7.033 2.245 -10.242 1.00 4.15 N ATOM 2829 CA LEU B 72 8.256 1.745 -10.840 1.00 4.35 C ATOM 2830 C LEU B 72 8.796 0.594 -10.002 1.00 4.51 C ATOM 2831 O LEU B 72 9.221 0.788 -8.862 1.00 4.34 O ATOM 2832 CB LEU B 72 9.300 2.858 -10.937 1.00 3.90 C ATOM 2833 CG LEU B 72 10.438 2.596 -11.927 1.00 3.93 C ATOM 2834 CD1 LEU B 72 9.916 2.582 -13.353 1.00 4.31 C ATOM 2835 CD2 LEU B 72 11.532 3.638 -11.771 1.00 4.11 C ATOM 0 H LEU B 72 7.145 2.595 -9.290 1.00 4.15 H new ATOM 0 HA LEU B 72 8.039 1.390 -11.847 1.00 4.35 H new ATOM 0 HB2 LEU B 72 8.798 3.783 -11.221 1.00 3.90 H new ATOM 0 HB3 LEU B 72 9.729 3.020 -9.948 1.00 3.90 H new ATOM 0 HG LEU B 72 10.862 1.616 -11.708 1.00 3.93 H new ATOM 0 HD11 LEU B 72 10.741 2.394 -14.041 1.00 4.31 H new ATOM 0 HD12 LEU B 72 9.169 1.796 -13.459 1.00 4.31 H new ATOM 0 HD13 LEU B 72 9.463 3.546 -13.584 1.00 4.31 H new ATOM 0 HD21 LEU B 72 12.332 3.435 -12.483 1.00 4.11 H new ATOM 0 HD22 LEU B 72 11.120 4.629 -11.961 1.00 4.11 H new ATOM 0 HD23 LEU B 72 11.930 3.599 -10.757 1.00 4.11 H new ATOM 2847 N SER B 73 8.755 -0.604 -10.560 1.00 5.01 N ATOM 2848 CA SER B 73 9.231 -1.785 -9.863 1.00 5.35 C ATOM 2849 C SER B 73 10.704 -2.039 -10.165 1.00 5.09 C ATOM 2850 O SER B 73 11.066 -2.400 -11.285 1.00 5.62 O ATOM 2851 CB SER B 73 8.385 -2.997 -10.254 1.00 6.05 C ATOM 2852 OG SER B 73 7.925 -2.886 -11.592 1.00 6.35 O ATOM 0 H SER B 73 8.395 -0.784 -11.497 1.00 5.01 H new ATOM 0 HA SER B 73 9.134 -1.618 -8.790 1.00 5.35 H new ATOM 0 HB2 SER B 73 8.974 -3.907 -10.143 1.00 6.05 H new ATOM 0 HB3 SER B 73 7.534 -3.084 -9.579 1.00 6.05 H new ATOM 0 HG SER B 73 7.010 -3.233 -11.653 1.00 6.35 H new ATOM 2858 N VAL B 74 11.546 -1.838 -9.166 1.00 4.34 N ATOM 2859 CA VAL B 74 12.976 -2.052 -9.315 1.00 4.11 C ATOM 2860 C VAL B 74 13.384 -3.363 -8.643 1.00 3.81 C ATOM 2861 O VAL B 74 13.039 -3.617 -7.489 1.00 3.69 O ATOM 2862 CB VAL B 74 13.791 -0.866 -8.738 1.00 3.94 C ATOM 2863 CG1 VAL B 74 13.359 -0.530 -7.318 1.00 3.77 C ATOM 2864 CG2 VAL B 74 15.285 -1.159 -8.790 1.00 3.75 C ATOM 0 H VAL B 74 11.262 -1.525 -8.238 1.00 4.34 H new ATOM 0 HA VAL B 74 13.199 -2.116 -10.380 1.00 4.11 H new ATOM 0 HB VAL B 74 13.589 0.005 -9.361 1.00 3.94 H new ATOM 0 HG11 VAL B 74 13.951 0.306 -6.946 1.00 3.77 H new ATOM 0 HG12 VAL B 74 12.304 -0.257 -7.314 1.00 3.77 H new ATOM 0 HG13 VAL B 74 13.512 -1.398 -6.676 1.00 3.77 H new ATOM 0 HG21 VAL B 74 15.836 -0.313 -8.380 1.00 3.75 H new ATOM 0 HG22 VAL B 74 15.501 -2.052 -8.203 1.00 3.75 H new ATOM 0 HG23 VAL B 74 15.588 -1.322 -9.824 1.00 3.75 H new ATOM 2874 N MET B 75 14.094 -4.203 -9.377 1.00 3.91 N ATOM 2875 CA MET B 75 14.536 -5.487 -8.857 1.00 3.74 C ATOM 2876 C MET B 75 15.987 -5.402 -8.404 1.00 3.48 C ATOM 2877 O MET B 75 16.900 -5.283 -9.226 1.00 3.88 O ATOM 2878 CB MET B 75 14.369 -6.575 -9.921 1.00 4.24 C ATOM 2879 CG MET B 75 14.809 -7.957 -9.466 1.00 4.67 C ATOM 2880 SD MET B 75 14.534 -9.217 -10.728 1.00 5.41 S ATOM 2881 CE MET B 75 15.305 -10.646 -9.971 1.00 5.42 C ATOM 0 H MET B 75 14.378 -4.018 -10.339 1.00 3.91 H new ATOM 0 HA MET B 75 13.920 -5.747 -7.996 1.00 3.74 H new ATOM 0 HB2 MET B 75 13.322 -6.619 -10.220 1.00 4.24 H new ATOM 0 HB3 MET B 75 14.942 -6.295 -10.805 1.00 4.24 H new ATOM 0 HG2 MET B 75 15.867 -7.931 -9.207 1.00 4.67 H new ATOM 0 HG3 MET B 75 14.266 -8.229 -8.561 1.00 4.67 H new ATOM 0 HE1 MET B 75 15.092 -11.533 -10.567 1.00 5.42 H new ATOM 0 HE2 MET B 75 16.383 -10.494 -9.920 1.00 5.42 H new ATOM 0 HE3 MET B 75 14.910 -10.782 -8.964 1.00 5.42 H new ATOM 2891 N PHE B 76 16.191 -5.444 -7.100 1.00 3.08 N ATOM 2892 CA PHE B 76 17.525 -5.371 -6.527 1.00 3.15 C ATOM 2893 C PHE B 76 17.656 -6.360 -5.378 1.00 3.14 C ATOM 2894 O PHE B 76 16.747 -7.152 -5.127 1.00 3.00 O ATOM 2895 CB PHE B 76 17.816 -3.947 -6.038 1.00 3.19 C ATOM 2896 CG PHE B 76 16.843 -3.445 -5.005 1.00 3.34 C ATOM 2897 CD1 PHE B 76 15.682 -2.795 -5.387 1.00 3.27 C ATOM 2898 CD2 PHE B 76 17.088 -3.624 -3.652 1.00 3.47 C ATOM 2899 CE1 PHE B 76 14.787 -2.334 -4.443 1.00 3.36 C ATOM 2900 CE2 PHE B 76 16.196 -3.166 -2.703 1.00 3.54 C ATOM 2901 CZ PHE B 76 15.043 -2.520 -3.100 1.00 2.78 C ATOM 0 H PHE B 76 15.443 -5.529 -6.411 1.00 3.08 H new ATOM 0 HA PHE B 76 18.252 -5.630 -7.297 1.00 3.15 H new ATOM 0 HB2 PHE B 76 18.822 -3.916 -5.620 1.00 3.19 H new ATOM 0 HB3 PHE B 76 17.804 -3.271 -6.893 1.00 3.19 H new ATOM 0 HD1 PHE B 76 15.474 -2.647 -6.436 1.00 3.27 H new ATOM 0 HD2 PHE B 76 17.989 -4.129 -3.336 1.00 3.47 H new ATOM 0 HE1 PHE B 76 13.886 -1.827 -4.756 1.00 3.36 H new ATOM 0 HE2 PHE B 76 16.400 -3.313 -1.653 1.00 3.54 H new ATOM 0 HZ PHE B 76 14.342 -2.161 -2.361 1.00 2.78 H new ATOM 2911 N ARG B 77 18.776 -6.311 -4.679 1.00 3.59 N ATOM 2912 CA ARG B 77 19.005 -7.205 -3.560 1.00 3.88 C ATOM 2913 C ARG B 77 18.887 -6.447 -2.245 1.00 4.20 C ATOM 2914 O ARG B 77 19.676 -5.543 -1.966 1.00 4.62 O ATOM 2915 CB ARG B 77 20.381 -7.856 -3.667 1.00 4.60 C ATOM 2916 CG ARG B 77 20.692 -8.402 -5.047 1.00 4.59 C ATOM 2917 CD ARG B 77 22.060 -9.052 -5.079 1.00 5.39 C ATOM 2918 NE ARG B 77 22.615 -9.097 -6.426 1.00 5.55 N ATOM 2919 CZ ARG B 77 23.325 -10.112 -6.907 1.00 6.25 C ATOM 2920 NH1 ARG B 77 23.496 -11.211 -6.183 1.00 6.80 N ATOM 2921 NH2 ARG B 77 23.830 -10.039 -8.129 1.00 6.51 N ATOM 0 H ARG B 77 19.540 -5.662 -4.867 1.00 3.59 H new ATOM 0 HA ARG B 77 18.247 -7.988 -3.585 1.00 3.88 H new ATOM 0 HB2 ARG B 77 21.142 -7.124 -3.396 1.00 4.60 H new ATOM 0 HB3 ARG B 77 20.447 -8.667 -2.942 1.00 4.60 H new ATOM 0 HG2 ARG B 77 19.933 -9.130 -5.333 1.00 4.59 H new ATOM 0 HG3 ARG B 77 20.652 -7.595 -5.779 1.00 4.59 H new ATOM 0 HD2 ARG B 77 22.738 -8.501 -4.427 1.00 5.39 H new ATOM 0 HD3 ARG B 77 21.989 -10.065 -4.683 1.00 5.39 H new ATOM 0 HE ARG B 77 22.448 -8.299 -7.038 1.00 5.55 H new ATOM 0 HH11 ARG B 77 23.082 -11.279 -5.253 1.00 6.80 H new ATOM 0 HH12 ARG B 77 24.042 -11.988 -6.556 1.00 6.80 H new ATOM 0 HH21 ARG B 77 23.673 -9.206 -8.697 1.00 6.51 H new ATOM 0 HH22 ARG B 77 24.376 -10.816 -8.503 1.00 6.51 H new ATOM 2935 N PHE B 78 17.897 -6.814 -1.451 1.00 4.21 N ATOM 2936 CA PHE B 78 17.667 -6.167 -0.167 1.00 4.81 C ATOM 2937 C PHE B 78 18.179 -7.051 0.961 1.00 5.56 C ATOM 2938 O PHE B 78 18.185 -8.278 0.839 1.00 5.79 O ATOM 2939 CB PHE B 78 16.174 -5.881 0.015 1.00 4.67 C ATOM 2940 CG PHE B 78 15.873 -4.860 1.075 1.00 4.78 C ATOM 2941 CD1 PHE B 78 16.300 -3.550 0.932 1.00 5.01 C ATOM 2942 CD2 PHE B 78 15.164 -5.208 2.211 1.00 4.79 C ATOM 2943 CE1 PHE B 78 16.022 -2.608 1.902 1.00 5.19 C ATOM 2944 CE2 PHE B 78 14.884 -4.270 3.186 1.00 5.05 C ATOM 2945 CZ PHE B 78 15.314 -2.969 3.031 1.00 5.22 C ATOM 0 H PHE B 78 17.236 -7.559 -1.672 1.00 4.21 H new ATOM 0 HA PHE B 78 18.209 -5.222 -0.142 1.00 4.81 H new ATOM 0 HB2 PHE B 78 15.762 -5.537 -0.934 1.00 4.67 H new ATOM 0 HB3 PHE B 78 15.664 -6.811 0.266 1.00 4.67 H new ATOM 0 HD1 PHE B 78 16.856 -3.263 0.052 1.00 5.01 H new ATOM 0 HD2 PHE B 78 14.825 -6.226 2.337 1.00 4.79 H new ATOM 0 HE1 PHE B 78 16.358 -1.589 1.778 1.00 5.19 H new ATOM 0 HE2 PHE B 78 14.329 -4.555 4.068 1.00 5.05 H new ATOM 0 HZ PHE B 78 15.097 -2.234 3.792 1.00 5.22 H new ATOM 2955 N ARG B 79 18.621 -6.428 2.045 1.00 6.05 N ATOM 2956 CA ARG B 79 19.133 -7.161 3.194 1.00 6.84 C ATOM 2957 C ARG B 79 18.006 -7.496 4.162 1.00 6.93 C ATOM 2958 O ARG B 79 17.179 -6.644 4.490 1.00 7.29 O ATOM 2959 CB ARG B 79 20.208 -6.343 3.919 1.00 7.82 C ATOM 2960 CG ARG B 79 20.881 -7.088 5.062 1.00 8.65 C ATOM 2961 CD ARG B 79 21.896 -6.214 5.778 1.00 9.63 C ATOM 2962 NE ARG B 79 21.373 -5.676 7.037 1.00 10.06 N ATOM 2963 CZ ARG B 79 21.868 -4.601 7.652 1.00 10.62 C ATOM 2964 NH1 ARG B 79 22.898 -3.949 7.131 1.00 10.80 N ATOM 2965 NH2 ARG B 79 21.332 -4.183 8.792 1.00 11.08 N ATOM 0 H ARG B 79 18.635 -5.414 2.152 1.00 6.05 H new ATOM 0 HA ARG B 79 19.576 -8.088 2.832 1.00 6.84 H new ATOM 0 HB2 ARG B 79 20.968 -6.040 3.199 1.00 7.82 H new ATOM 0 HB3 ARG B 79 19.756 -5.431 4.309 1.00 7.82 H new ATOM 0 HG2 ARG B 79 20.126 -7.426 5.772 1.00 8.65 H new ATOM 0 HG3 ARG B 79 21.376 -7.979 4.675 1.00 8.65 H new ATOM 0 HD2 ARG B 79 22.796 -6.795 5.979 1.00 9.63 H new ATOM 0 HD3 ARG B 79 22.188 -5.390 5.126 1.00 9.63 H new ATOM 0 HE ARG B 79 20.582 -6.153 7.469 1.00 10.06 H new ATOM 0 HH11 ARG B 79 23.315 -4.269 6.257 1.00 10.80 H new ATOM 0 HH12 ARG B 79 23.274 -3.127 7.604 1.00 10.80 H new ATOM 0 HH21 ARG B 79 20.542 -4.684 9.198 1.00 11.08 H new ATOM 0 HH22 ARG B 79 21.711 -3.361 9.262 1.00 11.08 H new ATOM 2979 N SER B 80 17.968 -8.738 4.605 1.00 6.76 N ATOM 2980 CA SER B 80 16.957 -9.175 5.550 1.00 7.04 C ATOM 2981 C SER B 80 17.503 -9.074 6.969 1.00 7.47 C ATOM 2982 O SER B 80 18.631 -8.621 7.176 1.00 7.38 O ATOM 2983 CB SER B 80 16.545 -10.615 5.247 1.00 6.83 C ATOM 2984 OG SER B 80 17.615 -11.510 5.501 1.00 7.21 O ATOM 0 H SER B 80 18.627 -9.464 4.325 1.00 6.76 H new ATOM 0 HA SER B 80 16.081 -8.533 5.459 1.00 7.04 H new ATOM 0 HB2 SER B 80 15.684 -10.888 5.858 1.00 6.83 H new ATOM 0 HB3 SER B 80 16.236 -10.698 4.205 1.00 6.83 H new ATOM 0 HG SER B 80 17.256 -12.376 5.788 1.00 7.21 H new ATOM 2990 N LYS B 81 16.713 -9.513 7.942 1.00 8.04 N ATOM 2991 CA LYS B 81 17.128 -9.489 9.340 1.00 8.55 C ATOM 2992 C LYS B 81 18.260 -10.491 9.567 1.00 8.41 C ATOM 2993 O LYS B 81 18.974 -10.432 10.567 1.00 8.72 O ATOM 2994 CB LYS B 81 15.937 -9.809 10.251 1.00 9.27 C ATOM 2995 CG LYS B 81 16.171 -9.465 11.713 1.00 10.06 C ATOM 2996 CD LYS B 81 16.525 -8.000 11.890 1.00 10.72 C ATOM 2997 CE LYS B 81 17.007 -7.714 13.300 1.00 11.62 C ATOM 2998 NZ LYS B 81 17.513 -6.325 13.441 1.00 12.24 N ATOM 0 H LYS B 81 15.778 -9.891 7.788 1.00 8.04 H new ATOM 0 HA LYS B 81 17.492 -8.491 9.585 1.00 8.55 H new ATOM 0 HB2 LYS B 81 15.063 -9.264 9.895 1.00 9.27 H new ATOM 0 HB3 LYS B 81 15.705 -10.871 10.170 1.00 9.27 H new ATOM 0 HG2 LYS B 81 15.276 -9.696 12.290 1.00 10.06 H new ATOM 0 HG3 LYS B 81 16.975 -10.085 12.110 1.00 10.06 H new ATOM 0 HD2 LYS B 81 17.300 -7.722 11.176 1.00 10.72 H new ATOM 0 HD3 LYS B 81 15.653 -7.384 11.670 1.00 10.72 H new ATOM 0 HE2 LYS B 81 16.190 -7.876 14.003 1.00 11.62 H new ATOM 0 HE3 LYS B 81 17.798 -8.417 13.563 1.00 11.62 H new ATOM 0 HZ1 LYS B 81 17.895 -6.190 14.399 1.00 12.24 H new ATOM 0 HZ2 LYS B 81 18.264 -6.157 12.742 1.00 12.24 H new ATOM 0 HZ3 LYS B 81 16.735 -5.654 13.281 1.00 12.24 H new ATOM 3012 N ASN B 82 18.424 -11.402 8.611 1.00 8.00 N ATOM 3013 CA ASN B 82 19.470 -12.417 8.678 1.00 7.89 C ATOM 3014 C ASN B 82 20.753 -11.880 8.059 1.00 7.36 C ATOM 3015 O ASN B 82 21.767 -12.576 8.002 1.00 7.24 O ATOM 3016 CB ASN B 82 19.056 -13.687 7.928 1.00 7.92 C ATOM 3017 CG ASN B 82 17.774 -14.308 8.445 1.00 8.51 C ATOM 3018 OD1 ASN B 82 17.414 -14.157 9.613 1.00 9.25 O ATOM 3019 ND2 ASN B 82 17.076 -15.024 7.577 1.00 8.28 N ATOM 0 H ASN B 82 17.841 -11.457 7.776 1.00 8.00 H new ATOM 0 HA ASN B 82 19.631 -12.661 9.728 1.00 7.89 H new ATOM 0 HB2 ASN B 82 18.935 -13.451 6.871 1.00 7.92 H new ATOM 0 HB3 ASN B 82 19.860 -14.420 8.001 1.00 7.92 H new ATOM 0 HD21 ASN B 82 16.208 -15.473 7.868 1.00 8.28 H new ATOM 0 HD22 ASN B 82 17.407 -15.126 6.617 1.00 8.28 H new ATOM 3026 N GLN B 83 20.684 -10.637 7.579 1.00 7.14 N ATOM 3027 CA GLN B 83 21.814 -9.970 6.941 1.00 6.77 C ATOM 3028 C GLN B 83 22.184 -10.663 5.633 1.00 6.51 C ATOM 3029 O GLN B 83 23.340 -10.644 5.212 1.00 6.48 O ATOM 3030 CB GLN B 83 23.026 -9.909 7.879 1.00 7.42 C ATOM 3031 CG GLN B 83 23.089 -8.648 8.728 1.00 7.60 C ATOM 3032 CD GLN B 83 21.855 -8.446 9.585 1.00 7.62 C ATOM 3033 OE1 GLN B 83 20.921 -7.740 9.198 1.00 7.12 O ATOM 3034 NE2 GLN B 83 21.839 -9.072 10.750 1.00 8.30 N ATOM 0 H GLN B 83 19.840 -10.066 7.623 1.00 7.14 H new ATOM 0 HA GLN B 83 21.511 -8.947 6.716 1.00 6.77 H new ATOM 0 HB2 GLN B 83 23.007 -10.777 8.538 1.00 7.42 H new ATOM 0 HB3 GLN B 83 23.937 -9.980 7.284 1.00 7.42 H new ATOM 0 HG2 GLN B 83 23.967 -8.694 9.372 1.00 7.60 H new ATOM 0 HG3 GLN B 83 23.217 -7.784 8.076 1.00 7.60 H new ATOM 0 HE21 GLN B 83 22.634 -9.646 11.031 1.00 8.30 H new ATOM 0 HE22 GLN B 83 21.032 -8.980 11.367 1.00 8.30 H new ATOM 3043 N GLU B 84 21.195 -11.276 4.998 1.00 6.48 N ATOM 3044 CA GLU B 84 21.405 -11.955 3.727 1.00 6.41 C ATOM 3045 C GLU B 84 20.788 -11.122 2.611 1.00 6.26 C ATOM 3046 O GLU B 84 19.983 -10.225 2.877 1.00 6.30 O ATOM 3047 CB GLU B 84 20.801 -13.365 3.748 1.00 6.62 C ATOM 3048 CG GLU B 84 19.282 -13.389 3.695 1.00 6.46 C ATOM 3049 CD GLU B 84 18.718 -14.793 3.671 1.00 6.60 C ATOM 3050 OE1 GLU B 84 18.786 -15.447 2.609 1.00 6.74 O ATOM 3051 OE2 GLU B 84 18.195 -15.245 4.713 1.00 6.78 O ATOM 0 H GLU B 84 20.236 -11.317 5.344 1.00 6.48 H new ATOM 0 HA GLU B 84 22.476 -12.062 3.552 1.00 6.41 H new ATOM 0 HB2 GLU B 84 21.193 -13.929 2.902 1.00 6.62 H new ATOM 0 HB3 GLU B 84 21.131 -13.877 4.652 1.00 6.62 H new ATOM 0 HG2 GLU B 84 18.884 -12.857 4.560 1.00 6.46 H new ATOM 0 HG3 GLU B 84 18.945 -12.852 2.808 1.00 6.46 H new ATOM 3058 N TRP B 85 21.162 -11.405 1.375 1.00 6.19 N ATOM 3059 CA TRP B 85 20.645 -10.659 0.240 1.00 6.19 C ATOM 3060 C TRP B 85 19.613 -11.469 -0.535 1.00 6.20 C ATOM 3061 O TRP B 85 19.858 -12.617 -0.916 1.00 6.38 O ATOM 3062 CB TRP B 85 21.789 -10.244 -0.689 1.00 6.55 C ATOM 3063 CG TRP B 85 22.945 -9.622 0.037 1.00 6.95 C ATOM 3064 CD1 TRP B 85 24.166 -10.188 0.271 1.00 7.63 C ATOM 3065 CD2 TRP B 85 22.987 -8.319 0.634 1.00 6.78 C ATOM 3066 NE1 TRP B 85 24.963 -9.318 0.972 1.00 7.89 N ATOM 3067 CE2 TRP B 85 24.261 -8.164 1.208 1.00 7.40 C ATOM 3068 CE3 TRP B 85 22.070 -7.268 0.738 1.00 6.23 C ATOM 3069 CZ2 TRP B 85 24.640 -7.002 1.877 1.00 7.53 C ATOM 3070 CZ3 TRP B 85 22.448 -6.117 1.400 1.00 6.39 C ATOM 3071 CH2 TRP B 85 23.723 -5.992 1.963 1.00 7.05 C ATOM 0 H TRP B 85 21.821 -12.145 1.132 1.00 6.19 H new ATOM 0 HA TRP B 85 20.154 -9.766 0.626 1.00 6.19 H new ATOM 0 HB2 TRP B 85 22.140 -11.119 -1.235 1.00 6.55 H new ATOM 0 HB3 TRP B 85 21.410 -9.538 -1.428 1.00 6.55 H new ATOM 0 HD1 TRP B 85 24.461 -11.176 -0.049 1.00 7.63 H new ATOM 0 HE1 TRP B 85 25.922 -9.500 1.269 1.00 7.89 H new ATOM 0 HE3 TRP B 85 21.083 -7.355 0.308 1.00 6.23 H new ATOM 0 HZ2 TRP B 85 25.623 -6.903 2.312 1.00 7.53 H new ATOM 0 HZ3 TRP B 85 21.748 -5.299 1.485 1.00 6.39 H new ATOM 0 HH2 TRP B 85 23.988 -5.079 2.476 1.00 7.05 H new ATOM 3082 N LEU B 86 18.455 -10.869 -0.751 1.00 6.05 N ATOM 3083 CA LEU B 86 17.384 -11.513 -1.494 1.00 6.08 C ATOM 3084 C LEU B 86 16.881 -10.580 -2.588 1.00 5.83 C ATOM 3085 O LEU B 86 16.957 -9.355 -2.453 1.00 5.96 O ATOM 3086 CB LEU B 86 16.238 -11.926 -0.559 1.00 6.32 C ATOM 3087 CG LEU B 86 15.900 -10.930 0.555 1.00 6.76 C ATOM 3088 CD1 LEU B 86 14.853 -9.932 0.087 1.00 6.60 C ATOM 3089 CD2 LEU B 86 15.421 -11.669 1.796 1.00 6.97 C ATOM 0 H LEU B 86 18.231 -9.931 -0.420 1.00 6.05 H new ATOM 0 HA LEU B 86 17.775 -12.419 -1.957 1.00 6.08 H new ATOM 0 HB2 LEU B 86 15.343 -12.088 -1.160 1.00 6.32 H new ATOM 0 HB3 LEU B 86 16.493 -12.882 -0.102 1.00 6.32 H new ATOM 0 HG LEU B 86 16.804 -10.376 0.808 1.00 6.76 H new ATOM 0 HD11 LEU B 86 14.629 -9.235 0.894 1.00 6.60 H new ATOM 0 HD12 LEU B 86 15.234 -9.381 -0.773 1.00 6.60 H new ATOM 0 HD13 LEU B 86 13.945 -10.464 -0.196 1.00 6.60 H new ATOM 0 HD21 LEU B 86 15.184 -10.949 2.580 1.00 6.97 H new ATOM 0 HD22 LEU B 86 14.530 -12.248 1.554 1.00 6.97 H new ATOM 0 HD23 LEU B 86 16.205 -12.340 2.145 1.00 6.97 H new ATOM 3101 N TRP B 87 16.378 -11.156 -3.668 1.00 5.64 N ATOM 3102 CA TRP B 87 15.877 -10.371 -4.781 1.00 5.53 C ATOM 3103 C TRP B 87 14.526 -9.772 -4.443 1.00 4.89 C ATOM 3104 O TRP B 87 13.525 -10.481 -4.307 1.00 4.93 O ATOM 3105 CB TRP B 87 15.787 -11.220 -6.046 1.00 6.09 C ATOM 3106 CG TRP B 87 17.130 -11.596 -6.582 1.00 6.88 C ATOM 3107 CD1 TRP B 87 17.763 -12.795 -6.440 1.00 7.60 C ATOM 3108 CD2 TRP B 87 18.014 -10.759 -7.332 1.00 7.12 C ATOM 3109 NE1 TRP B 87 18.983 -12.758 -7.064 1.00 8.31 N ATOM 3110 CE2 TRP B 87 19.162 -11.518 -7.617 1.00 8.03 C ATOM 3111 CE3 TRP B 87 17.944 -9.442 -7.792 1.00 6.72 C ATOM 3112 CZ2 TRP B 87 20.230 -11.005 -8.343 1.00 8.55 C ATOM 3113 CZ3 TRP B 87 19.005 -8.932 -8.511 1.00 7.21 C ATOM 3114 CH2 TRP B 87 20.137 -9.714 -8.781 1.00 8.12 C ATOM 0 H TRP B 87 16.306 -12.165 -3.796 1.00 5.64 H new ATOM 0 HA TRP B 87 16.578 -9.557 -4.968 1.00 5.53 H new ATOM 0 HB2 TRP B 87 15.219 -12.125 -5.832 1.00 6.09 H new ATOM 0 HB3 TRP B 87 15.236 -10.671 -6.809 1.00 6.09 H new ATOM 0 HD1 TRP B 87 17.362 -13.648 -5.913 1.00 7.60 H new ATOM 0 HE1 TRP B 87 19.649 -13.529 -7.109 1.00 8.31 H new ATOM 0 HE3 TRP B 87 17.075 -8.834 -7.588 1.00 6.72 H new ATOM 0 HZ2 TRP B 87 21.103 -11.605 -8.554 1.00 8.55 H new ATOM 0 HZ3 TRP B 87 18.963 -7.915 -8.871 1.00 7.21 H new ATOM 0 HH2 TRP B 87 20.952 -9.287 -9.347 1.00 8.12 H new ATOM 3125 N MET B 88 14.511 -8.461 -4.304 1.00 4.38 N ATOM 3126 CA MET B 88 13.305 -7.736 -3.967 1.00 3.86 C ATOM 3127 C MET B 88 12.905 -6.802 -5.098 1.00 4.20 C ATOM 3128 O MET B 88 13.696 -5.962 -5.531 1.00 4.46 O ATOM 3129 CB MET B 88 13.520 -6.928 -2.684 1.00 3.90 C ATOM 3130 CG MET B 88 12.286 -6.164 -2.232 1.00 3.23 C ATOM 3131 SD MET B 88 11.048 -7.232 -1.471 1.00 2.82 S ATOM 3132 CE MET B 88 11.929 -7.779 -0.013 1.00 3.18 C ATOM 0 H MET B 88 15.334 -7.870 -4.422 1.00 4.38 H new ATOM 0 HA MET B 88 12.504 -8.458 -3.810 1.00 3.86 H new ATOM 0 HB2 MET B 88 13.831 -7.603 -1.887 1.00 3.90 H new ATOM 0 HB3 MET B 88 14.336 -6.223 -2.841 1.00 3.90 H new ATOM 0 HG2 MET B 88 12.581 -5.393 -1.521 1.00 3.23 H new ATOM 0 HG3 MET B 88 11.844 -5.655 -3.089 1.00 3.23 H new ATOM 0 HE1 MET B 88 12.193 -8.831 -0.121 1.00 3.18 H new ATOM 0 HE2 MET B 88 12.837 -7.188 0.107 1.00 3.18 H new ATOM 0 HE3 MET B 88 11.295 -7.652 0.864 1.00 3.18 H new ATOM 3142 N ARG B 89 11.688 -6.967 -5.587 1.00 4.41 N ATOM 3143 CA ARG B 89 11.174 -6.118 -6.645 1.00 5.04 C ATOM 3144 C ARG B 89 10.319 -5.027 -6.019 1.00 5.07 C ATOM 3145 O ARG B 89 9.094 -5.152 -5.921 1.00 5.15 O ATOM 3146 CB ARG B 89 10.354 -6.925 -7.653 1.00 5.18 C ATOM 3147 CG ARG B 89 9.935 -6.121 -8.873 1.00 5.63 C ATOM 3148 CD ARG B 89 8.670 -6.679 -9.498 1.00 5.93 C ATOM 3149 NE ARG B 89 7.527 -6.610 -8.586 1.00 5.96 N ATOM 3150 CZ ARG B 89 6.308 -7.050 -8.899 1.00 6.42 C ATOM 3151 NH1 ARG B 89 6.076 -7.558 -10.099 1.00 6.87 N ATOM 3152 NH2 ARG B 89 5.324 -6.979 -8.012 1.00 6.59 N ATOM 0 H ARG B 89 11.037 -7.684 -5.266 1.00 4.41 H new ATOM 0 HA ARG B 89 12.009 -5.674 -7.186 1.00 5.04 H new ATOM 0 HB2 ARG B 89 10.937 -7.786 -7.978 1.00 5.18 H new ATOM 0 HB3 ARG B 89 9.463 -7.312 -7.158 1.00 5.18 H new ATOM 0 HG2 ARG B 89 9.773 -5.082 -8.587 1.00 5.63 H new ATOM 0 HG3 ARG B 89 10.739 -6.128 -9.609 1.00 5.63 H new ATOM 0 HD2 ARG B 89 8.441 -6.124 -10.408 1.00 5.93 H new ATOM 0 HD3 ARG B 89 8.838 -7.716 -9.790 1.00 5.93 H new ATOM 0 HE ARG B 89 7.671 -6.204 -7.662 1.00 5.96 H new ATOM 0 HH11 ARG B 89 6.830 -7.613 -10.784 1.00 6.87 H new ATOM 0 HH12 ARG B 89 5.143 -7.895 -10.339 1.00 6.87 H new ATOM 0 HH21 ARG B 89 5.499 -6.587 -7.087 1.00 6.59 H new ATOM 0 HH22 ARG B 89 4.393 -7.317 -8.255 1.00 6.59 H new ATOM 3166 N THR B 90 10.980 -3.980 -5.566 1.00 5.17 N ATOM 3167 CA THR B 90 10.315 -2.862 -4.929 1.00 5.29 C ATOM 3168 C THR B 90 9.541 -2.029 -5.944 1.00 5.66 C ATOM 3169 O THR B 90 10.126 -1.351 -6.789 1.00 6.18 O ATOM 3170 CB THR B 90 11.334 -1.979 -4.184 1.00 5.07 C ATOM 3171 OG1 THR B 90 11.872 -2.709 -3.077 1.00 5.02 O ATOM 3172 CG2 THR B 90 10.700 -0.690 -3.682 1.00 4.69 C ATOM 0 H THR B 90 11.993 -3.881 -5.629 1.00 5.17 H new ATOM 0 HA THR B 90 9.604 -3.265 -4.208 1.00 5.29 H new ATOM 0 HB THR B 90 12.126 -1.712 -4.883 1.00 5.07 H new ATOM 0 HG1 THR B 90 11.310 -2.566 -2.287 1.00 5.02 H new ATOM 0 HG21 THR B 90 11.450 -0.094 -3.162 1.00 4.69 H new ATOM 0 HG22 THR B 90 10.309 -0.124 -4.527 1.00 4.69 H new ATOM 0 HG23 THR B 90 9.886 -0.928 -2.997 1.00 4.69 H new ATOM 3180 N SER B 91 8.224 -2.109 -5.866 1.00 5.49 N ATOM 3181 CA SER B 91 7.360 -1.358 -6.756 1.00 5.86 C ATOM 3182 C SER B 91 7.040 -0.005 -6.127 1.00 5.46 C ATOM 3183 O SER B 91 6.053 0.141 -5.404 1.00 4.98 O ATOM 3184 CB SER B 91 6.082 -2.150 -7.036 1.00 6.04 C ATOM 3185 OG SER B 91 6.367 -3.533 -7.201 1.00 6.30 O ATOM 0 H SER B 91 7.728 -2.691 -5.190 1.00 5.49 H new ATOM 0 HA SER B 91 7.867 -1.190 -7.706 1.00 5.86 H new ATOM 0 HB2 SER B 91 5.379 -2.015 -6.214 1.00 6.04 H new ATOM 0 HB3 SER B 91 5.600 -1.764 -7.934 1.00 6.04 H new ATOM 0 HG SER B 91 6.522 -3.942 -6.324 1.00 6.30 H new ATOM 3191 N SER B 92 7.900 0.969 -6.384 1.00 5.80 N ATOM 3192 CA SER B 92 7.742 2.305 -5.832 1.00 5.57 C ATOM 3193 C SER B 92 6.641 3.080 -6.549 1.00 5.56 C ATOM 3194 O SER B 92 6.697 3.282 -7.759 1.00 5.52 O ATOM 3195 CB SER B 92 9.067 3.056 -5.930 1.00 6.27 C ATOM 3196 OG SER B 92 10.133 2.254 -5.444 1.00 6.65 O ATOM 0 H SER B 92 8.722 0.856 -6.977 1.00 5.80 H new ATOM 0 HA SER B 92 7.450 2.212 -4.786 1.00 5.57 H new ATOM 0 HB2 SER B 92 9.258 3.335 -6.966 1.00 6.27 H new ATOM 0 HB3 SER B 92 9.010 3.981 -5.357 1.00 6.27 H new ATOM 0 HG SER B 92 10.081 2.198 -4.467 1.00 6.65 H new ATOM 3202 N PHE B 93 5.637 3.490 -5.794 1.00 5.71 N ATOM 3203 CA PHE B 93 4.519 4.247 -6.334 1.00 5.89 C ATOM 3204 C PHE B 93 4.472 5.635 -5.702 1.00 6.45 C ATOM 3205 O PHE B 93 4.428 5.767 -4.479 1.00 6.45 O ATOM 3206 CB PHE B 93 3.209 3.500 -6.060 1.00 5.69 C ATOM 3207 CG PHE B 93 2.002 4.104 -6.721 1.00 5.63 C ATOM 3208 CD1 PHE B 93 1.628 3.713 -7.993 1.00 5.74 C ATOM 3209 CD2 PHE B 93 1.238 5.057 -6.065 1.00 5.63 C ATOM 3210 CE1 PHE B 93 0.514 4.257 -8.601 1.00 5.78 C ATOM 3211 CE2 PHE B 93 0.122 5.604 -6.667 1.00 5.68 C ATOM 3212 CZ PHE B 93 -0.238 5.205 -7.938 1.00 5.73 C ATOM 0 H PHE B 93 5.573 3.309 -4.792 1.00 5.71 H new ATOM 0 HA PHE B 93 4.649 4.357 -7.411 1.00 5.89 H new ATOM 0 HB2 PHE B 93 3.315 2.469 -6.397 1.00 5.69 H new ATOM 0 HB3 PHE B 93 3.041 3.468 -4.983 1.00 5.69 H new ATOM 0 HD1 PHE B 93 2.214 2.973 -8.518 1.00 5.74 H new ATOM 0 HD2 PHE B 93 1.519 5.375 -5.072 1.00 5.63 H new ATOM 0 HE1 PHE B 93 0.232 3.941 -9.594 1.00 5.78 H new ATOM 0 HE2 PHE B 93 -0.468 6.342 -6.144 1.00 5.68 H new ATOM 0 HZ PHE B 93 -1.108 5.634 -8.413 1.00 5.73 H new ATOM 3222 N THR B 94 4.493 6.669 -6.531 1.00 7.02 N ATOM 3223 CA THR B 94 4.447 8.033 -6.035 1.00 7.65 C ATOM 3224 C THR B 94 3.006 8.462 -5.769 1.00 7.67 C ATOM 3225 O THR B 94 2.252 8.756 -6.698 1.00 8.38 O ATOM 3226 CB THR B 94 5.103 9.010 -7.030 1.00 8.72 C ATOM 3227 OG1 THR B 94 5.082 8.452 -8.355 1.00 8.98 O ATOM 3228 CG2 THR B 94 6.538 9.310 -6.620 1.00 9.17 C ATOM 0 H THR B 94 4.541 6.588 -7.547 1.00 7.02 H new ATOM 0 HA THR B 94 5.006 8.061 -5.100 1.00 7.65 H new ATOM 0 HB THR B 94 4.536 9.941 -7.023 1.00 8.72 H new ATOM 0 HG1 THR B 94 5.931 8.646 -8.805 1.00 8.98 H new ATOM 0 HG21 THR B 94 6.984 10.001 -7.335 1.00 9.17 H new ATOM 0 HG22 THR B 94 6.546 9.759 -5.627 1.00 9.17 H new ATOM 0 HG23 THR B 94 7.113 8.384 -6.604 1.00 9.17 H new ATOM 3236 N PHE B 95 2.626 8.479 -4.498 1.00 7.03 N ATOM 3237 CA PHE B 95 1.276 8.862 -4.113 1.00 7.23 C ATOM 3238 C PHE B 95 1.094 10.369 -4.233 1.00 7.66 C ATOM 3239 O PHE B 95 1.775 11.145 -3.558 1.00 7.94 O ATOM 3240 CB PHE B 95 0.974 8.399 -2.687 1.00 6.55 C ATOM 3241 CG PHE B 95 -0.335 7.667 -2.562 1.00 6.95 C ATOM 3242 CD1 PHE B 95 -0.743 6.781 -3.545 1.00 7.38 C ATOM 3243 CD2 PHE B 95 -1.153 7.862 -1.462 1.00 6.97 C ATOM 3244 CE1 PHE B 95 -1.944 6.107 -3.435 1.00 7.77 C ATOM 3245 CE2 PHE B 95 -2.356 7.191 -1.346 1.00 7.38 C ATOM 3246 CZ PHE B 95 -2.750 6.312 -2.332 1.00 8.33 C ATOM 0 H PHE B 95 3.234 8.232 -3.717 1.00 7.03 H new ATOM 0 HA PHE B 95 0.574 8.375 -4.790 1.00 7.23 H new ATOM 0 HB2 PHE B 95 1.780 7.749 -2.345 1.00 6.55 H new ATOM 0 HB3 PHE B 95 0.962 9.266 -2.026 1.00 6.55 H new ATOM 0 HD1 PHE B 95 -0.115 6.615 -4.408 1.00 7.38 H new ATOM 0 HD2 PHE B 95 -0.847 8.547 -0.685 1.00 6.97 H new ATOM 0 HE1 PHE B 95 -2.252 5.421 -4.210 1.00 7.77 H new ATOM 0 HE2 PHE B 95 -2.986 7.355 -0.484 1.00 7.38 H new ATOM 0 HZ PHE B 95 -3.688 5.784 -2.242 1.00 8.33 H new ATOM 3256 N GLN B 96 0.190 10.771 -5.113 1.00 7.77 N ATOM 3257 CA GLN B 96 -0.088 12.178 -5.334 1.00 8.24 C ATOM 3258 C GLN B 96 -1.072 12.699 -4.295 1.00 8.05 C ATOM 3259 O GLN B 96 -2.213 12.241 -4.220 1.00 8.10 O ATOM 3260 CB GLN B 96 -0.642 12.401 -6.744 1.00 8.94 C ATOM 3261 CG GLN B 96 0.402 12.235 -7.836 1.00 9.25 C ATOM 3262 CD GLN B 96 -0.154 12.487 -9.226 1.00 9.90 C ATOM 3263 OE1 GLN B 96 -0.614 11.565 -9.899 1.00 9.95 O ATOM 3264 NE2 GLN B 96 -0.120 13.736 -9.665 1.00 10.53 N ATOM 0 H GLN B 96 -0.365 10.137 -5.688 1.00 7.77 H new ATOM 0 HA GLN B 96 0.847 12.730 -5.235 1.00 8.24 H new ATOM 0 HB2 GLN B 96 -1.457 11.699 -6.921 1.00 8.94 H new ATOM 0 HB3 GLN B 96 -1.065 13.404 -6.806 1.00 8.94 H new ATOM 0 HG2 GLN B 96 1.228 12.922 -7.650 1.00 9.25 H new ATOM 0 HG3 GLN B 96 0.811 11.226 -7.791 1.00 9.25 H new ATOM 0 HE21 GLN B 96 0.269 14.473 -9.077 1.00 10.53 H new ATOM 0 HE22 GLN B 96 -0.483 13.961 -10.591 1.00 10.53 H new ATOM 3273 N ASN B 97 -0.615 13.644 -3.492 1.00 7.96 N ATOM 3274 CA ASN B 97 -1.445 14.244 -2.459 1.00 7.92 C ATOM 3275 C ASN B 97 -2.339 15.307 -3.087 1.00 8.14 C ATOM 3276 O ASN B 97 -1.845 16.165 -3.825 1.00 8.43 O ATOM 3277 CB ASN B 97 -0.550 14.860 -1.375 1.00 7.98 C ATOM 3278 CG ASN B 97 -1.314 15.340 -0.154 1.00 8.09 C ATOM 3279 OD1 ASN B 97 -2.375 14.817 0.186 1.00 8.16 O ATOM 3280 ND2 ASN B 97 -0.763 16.330 0.529 1.00 8.31 N ATOM 0 H ASN B 97 0.334 14.016 -3.536 1.00 7.96 H new ATOM 0 HA ASN B 97 -2.074 13.483 -1.998 1.00 7.92 H new ATOM 0 HB2 ASN B 97 0.189 14.122 -1.063 1.00 7.98 H new ATOM 0 HB3 ASN B 97 -0.001 15.699 -1.803 1.00 7.98 H new ATOM 0 HD21 ASN B 97 -1.219 16.685 1.369 1.00 8.31 H new ATOM 0 HD22 ASN B 97 0.118 16.738 0.215 1.00 8.31 H new ATOM 3287 N PRO B 98 -3.664 15.237 -2.846 1.00 8.11 N ATOM 3288 CA PRO B 98 -4.636 16.198 -3.393 1.00 8.36 C ATOM 3289 C PRO B 98 -4.401 17.631 -2.907 1.00 8.56 C ATOM 3290 O PRO B 98 -5.145 18.155 -2.075 1.00 9.16 O ATOM 3291 CB PRO B 98 -5.990 15.673 -2.898 1.00 8.39 C ATOM 3292 CG PRO B 98 -5.669 14.788 -1.743 1.00 8.29 C ATOM 3293 CD PRO B 98 -4.323 14.196 -2.038 1.00 7.99 C ATOM 0 HA PRO B 98 -4.562 16.261 -4.479 1.00 8.36 H new ATOM 0 HB2 PRO B 98 -6.643 16.492 -2.597 1.00 8.39 H new ATOM 0 HB3 PRO B 98 -6.510 15.123 -3.683 1.00 8.39 H new ATOM 0 HG2 PRO B 98 -5.651 15.353 -0.811 1.00 8.29 H new ATOM 0 HG3 PRO B 98 -6.422 14.008 -1.628 1.00 8.29 H new ATOM 0 HD2 PRO B 98 -3.768 13.985 -1.124 1.00 7.99 H new ATOM 0 HD3 PRO B 98 -4.408 13.257 -2.584 1.00 7.99 H new ATOM 3301 N TYR B 99 -3.356 18.248 -3.432 1.00 8.20 N ATOM 3302 CA TYR B 99 -2.989 19.615 -3.096 1.00 8.49 C ATOM 3303 C TYR B 99 -2.364 20.272 -4.322 1.00 8.25 C ATOM 3304 O TYR B 99 -2.844 20.080 -5.439 1.00 8.70 O ATOM 3305 CB TYR B 99 -2.006 19.634 -1.916 1.00 8.61 C ATOM 3306 CG TYR B 99 -2.658 19.862 -0.570 1.00 9.49 C ATOM 3307 CD1 TYR B 99 -3.231 21.087 -0.250 1.00 9.79 C ATOM 3308 CD2 TYR B 99 -2.690 18.855 0.384 1.00 9.80 C ATOM 3309 CE1 TYR B 99 -3.817 21.299 0.985 1.00 10.35 C ATOM 3310 CE2 TYR B 99 -3.276 19.058 1.619 1.00 10.36 C ATOM 3311 CZ TYR B 99 -3.837 20.282 1.916 1.00 10.60 C ATOM 3312 OH TYR B 99 -4.419 20.489 3.149 1.00 11.34 O ATOM 0 H TYR B 99 -2.732 17.811 -4.110 1.00 8.20 H new ATOM 0 HA TYR B 99 -3.879 20.169 -2.798 1.00 8.49 H new ATOM 0 HB2 TYR B 99 -1.468 18.687 -1.891 1.00 8.61 H new ATOM 0 HB3 TYR B 99 -1.266 20.416 -2.086 1.00 8.61 H new ATOM 0 HD1 TYR B 99 -3.219 21.886 -0.977 1.00 9.79 H new ATOM 0 HD2 TYR B 99 -2.249 17.895 0.157 1.00 9.80 H new ATOM 0 HE1 TYR B 99 -4.257 22.257 1.219 1.00 10.35 H new ATOM 0 HE2 TYR B 99 -3.294 18.262 2.348 1.00 10.36 H new ATOM 0 HH TYR B 99 -4.349 19.672 3.685 1.00 11.34 H new ATOM 3322 N SER B 100 -1.287 21.019 -4.125 1.00 7.67 N ATOM 3323 CA SER B 100 -0.601 21.684 -5.225 1.00 7.55 C ATOM 3324 C SER B 100 0.321 20.709 -5.966 1.00 7.32 C ATOM 3325 O SER B 100 1.490 21.014 -6.214 1.00 7.75 O ATOM 3326 CB SER B 100 0.203 22.866 -4.681 1.00 7.45 C ATOM 3327 OG SER B 100 -0.117 23.112 -3.318 1.00 7.36 O ATOM 0 H SER B 100 -0.867 21.181 -3.209 1.00 7.67 H new ATOM 0 HA SER B 100 -1.344 22.046 -5.935 1.00 7.55 H new ATOM 0 HB2 SER B 100 1.269 22.661 -4.777 1.00 7.45 H new ATOM 0 HB3 SER B 100 -0.005 23.756 -5.274 1.00 7.45 H new ATOM 0 HG SER B 100 0.410 23.871 -2.990 1.00 7.36 H new ATOM 3333 N ASP B 101 -0.230 19.544 -6.318 1.00 6.80 N ATOM 3334 CA ASP B 101 0.504 18.482 -7.019 1.00 6.71 C ATOM 3335 C ASP B 101 1.819 18.167 -6.315 1.00 6.51 C ATOM 3336 O ASP B 101 2.894 18.576 -6.760 1.00 6.46 O ATOM 3337 CB ASP B 101 0.771 18.853 -8.483 1.00 7.30 C ATOM 3338 CG ASP B 101 1.369 17.696 -9.263 1.00 8.84 C ATOM 3339 OD1 ASP B 101 0.740 16.616 -9.304 1.00 9.08 O ATOM 3340 OD2 ASP B 101 2.469 17.854 -9.839 1.00 8.97 O ATOM 0 H ASP B 101 -1.203 19.308 -6.124 1.00 6.80 H new ATOM 0 HA ASP B 101 -0.126 17.593 -7.001 1.00 6.71 H new ATOM 0 HB2 ASP B 101 -0.161 19.164 -8.954 1.00 7.30 H new ATOM 0 HB3 ASP B 101 1.449 19.706 -8.523 1.00 7.30 H new ATOM 3345 N GLU B 102 1.739 17.437 -5.217 1.00 6.62 N ATOM 3346 CA GLU B 102 2.927 17.094 -4.458 1.00 6.76 C ATOM 3347 C GLU B 102 2.945 15.621 -4.090 1.00 6.49 C ATOM 3348 O GLU B 102 1.894 14.988 -3.953 1.00 6.08 O ATOM 3349 CB GLU B 102 3.008 17.943 -3.190 1.00 6.92 C ATOM 3350 CG GLU B 102 1.784 17.833 -2.295 1.00 7.00 C ATOM 3351 CD GLU B 102 2.119 18.051 -0.837 1.00 7.52 C ATOM 3352 OE1 GLU B 102 2.778 19.064 -0.521 1.00 7.71 O ATOM 3353 OE2 GLU B 102 1.740 17.208 -0.003 1.00 7.71 O ATOM 0 H GLU B 102 0.868 17.072 -4.833 1.00 6.62 H new ATOM 0 HA GLU B 102 3.793 17.298 -5.088 1.00 6.76 H new ATOM 0 HB2 GLU B 102 3.889 17.646 -2.622 1.00 6.92 H new ATOM 0 HB3 GLU B 102 3.147 18.987 -3.472 1.00 6.92 H new ATOM 0 HG2 GLU B 102 1.040 18.566 -2.608 1.00 7.00 H new ATOM 0 HG3 GLU B 102 1.333 16.848 -2.419 1.00 7.00 H new ATOM 3360 N ILE B 103 4.143 15.082 -3.947 1.00 6.89 N ATOM 3361 CA ILE B 103 4.316 13.695 -3.570 1.00 6.86 C ATOM 3362 C ILE B 103 4.502 13.607 -2.061 1.00 6.92 C ATOM 3363 O ILE B 103 5.597 13.849 -1.544 1.00 6.97 O ATOM 3364 CB ILE B 103 5.529 13.055 -4.281 1.00 7.13 C ATOM 3365 CG1 ILE B 103 5.428 13.261 -5.797 1.00 7.47 C ATOM 3366 CG2 ILE B 103 5.612 11.572 -3.946 1.00 6.71 C ATOM 3367 CD1 ILE B 103 6.730 13.014 -6.529 1.00 8.04 C ATOM 0 H ILE B 103 5.016 15.591 -4.088 1.00 6.89 H new ATOM 0 HA ILE B 103 3.425 13.146 -3.875 1.00 6.86 H new ATOM 0 HB ILE B 103 6.439 13.541 -3.929 1.00 7.13 H new ATOM 0 HG12 ILE B 103 4.664 12.594 -6.196 1.00 7.47 H new ATOM 0 HG13 ILE B 103 5.097 14.280 -5.996 1.00 7.47 H new ATOM 0 HG21 ILE B 103 6.471 11.132 -4.453 1.00 6.71 H new ATOM 0 HG22 ILE B 103 5.724 11.448 -2.869 1.00 6.71 H new ATOM 0 HG23 ILE B 103 4.701 11.073 -4.276 1.00 6.71 H new ATOM 0 HD11 ILE B 103 6.584 13.178 -7.597 1.00 8.04 H new ATOM 0 HD12 ILE B 103 7.492 13.699 -6.157 1.00 8.04 H new ATOM 0 HD13 ILE B 103 7.053 11.987 -6.361 1.00 8.04 H new ATOM 3379 N GLU B 104 3.420 13.294 -1.359 1.00 7.07 N ATOM 3380 CA GLU B 104 3.451 13.187 0.095 1.00 7.39 C ATOM 3381 C GLU B 104 4.468 12.143 0.537 1.00 7.24 C ATOM 3382 O GLU B 104 5.293 12.398 1.415 1.00 7.56 O ATOM 3383 CB GLU B 104 2.060 12.846 0.638 1.00 7.11 C ATOM 3384 CG GLU B 104 1.297 11.839 -0.208 1.00 7.06 C ATOM 3385 CD GLU B 104 -0.059 11.493 0.370 1.00 8.47 C ATOM 3386 OE1 GLU B 104 -0.545 12.228 1.257 1.00 8.81 O ATOM 3387 OE2 GLU B 104 -0.647 10.481 -0.052 1.00 8.35 O ATOM 0 H GLU B 104 2.507 13.109 -1.774 1.00 7.07 H new ATOM 0 HA GLU B 104 3.753 14.152 0.502 1.00 7.39 H new ATOM 0 HB2 GLU B 104 2.162 12.452 1.649 1.00 7.11 H new ATOM 0 HB3 GLU B 104 1.474 13.763 0.710 1.00 7.11 H new ATOM 0 HG2 GLU B 104 1.167 12.241 -1.213 1.00 7.06 H new ATOM 0 HG3 GLU B 104 1.889 10.929 -0.303 1.00 7.06 H new ATOM 3394 N TYR B 105 4.417 10.978 -0.090 1.00 6.81 N ATOM 3395 CA TYR B 105 5.334 9.898 0.226 1.00 6.65 C ATOM 3396 C TYR B 105 5.366 8.890 -0.910 1.00 5.83 C ATOM 3397 O TYR B 105 4.486 8.882 -1.773 1.00 5.31 O ATOM 3398 CB TYR B 105 4.953 9.207 1.545 1.00 7.23 C ATOM 3399 CG TYR B 105 3.477 8.905 1.698 1.00 7.06 C ATOM 3400 CD1 TYR B 105 2.883 7.867 0.992 1.00 6.65 C ATOM 3401 CD2 TYR B 105 2.680 9.652 2.556 1.00 7.40 C ATOM 3402 CE1 TYR B 105 1.540 7.588 1.130 1.00 6.52 C ATOM 3403 CE2 TYR B 105 1.334 9.377 2.701 1.00 7.32 C ATOM 3404 CZ TYR B 105 0.771 8.343 1.986 1.00 6.94 C ATOM 3405 OH TYR B 105 -0.572 8.069 2.120 1.00 6.84 O ATOM 0 H TYR B 105 3.745 10.757 -0.825 1.00 6.81 H new ATOM 0 HA TYR B 105 6.329 10.326 0.350 1.00 6.65 H new ATOM 0 HB2 TYR B 105 5.511 8.274 1.625 1.00 7.23 H new ATOM 0 HB3 TYR B 105 5.269 9.839 2.375 1.00 7.23 H new ATOM 0 HD1 TYR B 105 3.484 7.268 0.323 1.00 6.65 H new ATOM 0 HD2 TYR B 105 3.120 10.462 3.119 1.00 7.40 H new ATOM 0 HE1 TYR B 105 1.093 6.781 0.569 1.00 6.52 H new ATOM 0 HE2 TYR B 105 0.727 9.969 3.370 1.00 7.32 H new ATOM 0 HH TYR B 105 -0.978 7.981 1.232 1.00 6.84 H new ATOM 3415 N ILE B 106 6.388 8.053 -0.910 1.00 5.84 N ATOM 3416 CA ILE B 106 6.541 7.034 -1.928 1.00 5.13 C ATOM 3417 C ILE B 106 6.187 5.673 -1.348 1.00 4.98 C ATOM 3418 O ILE B 106 6.863 5.179 -0.442 1.00 5.41 O ATOM 3419 CB ILE B 106 7.981 6.998 -2.487 1.00 5.45 C ATOM 3420 CG1 ILE B 106 8.387 8.382 -3.008 1.00 6.30 C ATOM 3421 CG2 ILE B 106 8.094 5.960 -3.596 1.00 4.84 C ATOM 3422 CD1 ILE B 106 9.863 8.508 -3.318 1.00 6.78 C ATOM 0 H ILE B 106 7.129 8.061 -0.209 1.00 5.84 H new ATOM 0 HA ILE B 106 5.866 7.278 -2.749 1.00 5.13 H new ATOM 0 HB ILE B 106 8.659 6.719 -1.680 1.00 5.45 H new ATOM 0 HG12 ILE B 106 7.816 8.603 -3.910 1.00 6.30 H new ATOM 0 HG13 ILE B 106 8.115 9.133 -2.267 1.00 6.30 H new ATOM 0 HG21 ILE B 106 9.114 5.947 -3.979 1.00 4.84 H new ATOM 0 HG22 ILE B 106 7.842 4.976 -3.200 1.00 4.84 H new ATOM 0 HG23 ILE B 106 7.406 6.213 -4.403 1.00 4.84 H new ATOM 0 HD11 ILE B 106 10.074 9.514 -3.681 1.00 6.78 H new ATOM 0 HD12 ILE B 106 10.442 8.320 -2.414 1.00 6.78 H new ATOM 0 HD13 ILE B 106 10.138 7.781 -4.082 1.00 6.78 H new ATOM 3434 N ILE B 107 5.116 5.087 -1.856 1.00 4.66 N ATOM 3435 CA ILE B 107 4.664 3.787 -1.401 1.00 4.86 C ATOM 3436 C ILE B 107 5.378 2.695 -2.180 1.00 4.29 C ATOM 3437 O ILE B 107 5.078 2.446 -3.347 1.00 3.98 O ATOM 3438 CB ILE B 107 3.135 3.638 -1.552 1.00 5.29 C ATOM 3439 CG1 ILE B 107 2.420 4.564 -0.564 1.00 6.01 C ATOM 3440 CG2 ILE B 107 2.705 2.192 -1.339 1.00 5.80 C ATOM 3441 CD1 ILE B 107 0.923 4.630 -0.766 1.00 6.31 C ATOM 0 H ILE B 107 4.540 5.497 -2.591 1.00 4.66 H new ATOM 0 HA ILE B 107 4.903 3.693 -0.342 1.00 4.86 H new ATOM 0 HB ILE B 107 2.858 3.923 -2.567 1.00 5.29 H new ATOM 0 HG12 ILE B 107 2.626 4.226 0.451 1.00 6.01 H new ATOM 0 HG13 ILE B 107 2.835 5.568 -0.656 1.00 6.01 H new ATOM 0 HG21 ILE B 107 1.624 2.114 -1.451 1.00 5.80 H new ATOM 0 HG22 ILE B 107 3.193 1.555 -2.077 1.00 5.80 H new ATOM 0 HG23 ILE B 107 2.990 1.871 -0.337 1.00 5.80 H new ATOM 0 HD11 ILE B 107 0.486 5.305 -0.030 1.00 6.31 H new ATOM 0 HD12 ILE B 107 0.707 4.998 -1.769 1.00 6.31 H new ATOM 0 HD13 ILE B 107 0.495 3.635 -0.645 1.00 6.31 H new ATOM 3453 N CYS B 108 6.340 2.063 -1.538 1.00 4.36 N ATOM 3454 CA CYS B 108 7.109 1.014 -2.174 1.00 4.09 C ATOM 3455 C CYS B 108 6.534 -0.362 -1.876 1.00 4.49 C ATOM 3456 O CYS B 108 6.606 -0.847 -0.744 1.00 5.31 O ATOM 3457 CB CYS B 108 8.564 1.082 -1.719 1.00 3.74 C ATOM 3458 SG CYS B 108 9.470 2.496 -2.384 1.00 3.04 S ATOM 0 H CYS B 108 6.608 2.259 -0.573 1.00 4.36 H new ATOM 0 HA CYS B 108 7.058 1.171 -3.251 1.00 4.09 H new ATOM 0 HB2 CYS B 108 8.593 1.123 -0.630 1.00 3.74 H new ATOM 0 HB3 CYS B 108 9.071 0.164 -2.017 1.00 3.74 H new ATOM 0 HG CYS B 108 9.738 3.330 -1.424 1.00 3.04 H new ATOM 3464 N THR B 109 5.933 -0.967 -2.888 1.00 4.08 N ATOM 3465 CA THR B 109 5.380 -2.301 -2.764 1.00 4.65 C ATOM 3466 C THR B 109 6.501 -3.322 -2.952 1.00 5.11 C ATOM 3467 O THR B 109 6.813 -3.728 -4.076 1.00 5.24 O ATOM 3468 CB THR B 109 4.262 -2.538 -3.801 1.00 5.03 C ATOM 3469 OG1 THR B 109 3.294 -1.478 -3.726 1.00 4.85 O ATOM 3470 CG2 THR B 109 3.571 -3.873 -3.564 1.00 5.48 C ATOM 0 H THR B 109 5.817 -0.549 -3.811 1.00 4.08 H new ATOM 0 HA THR B 109 4.940 -2.412 -1.773 1.00 4.65 H new ATOM 0 HB THR B 109 4.716 -2.553 -4.792 1.00 5.03 H new ATOM 0 HG1 THR B 109 2.413 -1.821 -3.984 1.00 4.85 H new ATOM 0 HG21 THR B 109 2.788 -4.015 -4.309 1.00 5.48 H new ATOM 0 HG22 THR B 109 4.300 -4.679 -3.646 1.00 5.48 H new ATOM 0 HG23 THR B 109 3.130 -3.883 -2.567 1.00 5.48 H new ATOM 3478 N ASN B 110 7.126 -3.702 -1.849 1.00 5.49 N ATOM 3479 CA ASN B 110 8.235 -4.646 -1.872 1.00 6.04 C ATOM 3480 C ASN B 110 7.755 -6.057 -2.171 1.00 6.71 C ATOM 3481 O ASN B 110 7.136 -6.696 -1.329 1.00 6.90 O ATOM 3482 CB ASN B 110 8.975 -4.626 -0.534 1.00 6.01 C ATOM 3483 CG ASN B 110 10.055 -3.563 -0.477 1.00 6.09 C ATOM 3484 OD1 ASN B 110 9.953 -2.517 -1.115 1.00 6.05 O ATOM 3485 ND2 ASN B 110 11.104 -3.828 0.286 1.00 6.27 N ATOM 0 H ASN B 110 6.882 -3.368 -0.917 1.00 5.49 H new ATOM 0 HA ASN B 110 8.915 -4.340 -2.667 1.00 6.04 H new ATOM 0 HB2 ASN B 110 8.259 -4.454 0.270 1.00 6.01 H new ATOM 0 HB3 ASN B 110 9.424 -5.604 -0.357 1.00 6.01 H new ATOM 0 HD21 ASN B 110 11.865 -3.152 0.360 1.00 6.27 H new ATOM 0 HD22 ASN B 110 11.151 -4.708 0.800 1.00 6.27 H new ATOM 3492 N THR B 111 8.031 -6.527 -3.376 1.00 7.16 N ATOM 3493 CA THR B 111 7.640 -7.864 -3.784 1.00 7.90 C ATOM 3494 C THR B 111 8.868 -8.764 -3.885 1.00 8.33 C ATOM 3495 O THR B 111 9.693 -8.595 -4.780 1.00 8.01 O ATOM 3496 CB THR B 111 6.924 -7.827 -5.147 1.00 8.30 C ATOM 3497 OG1 THR B 111 6.149 -6.625 -5.254 1.00 8.18 O ATOM 3498 CG2 THR B 111 6.022 -9.038 -5.317 1.00 8.61 C ATOM 0 H THR B 111 8.528 -5.998 -4.092 1.00 7.16 H new ATOM 0 HA THR B 111 6.957 -8.262 -3.033 1.00 7.90 H new ATOM 0 HB THR B 111 7.678 -7.846 -5.934 1.00 8.30 H new ATOM 0 HG1 THR B 111 6.740 -5.873 -5.467 1.00 8.18 H new ATOM 0 HG21 THR B 111 5.527 -8.990 -6.287 1.00 8.61 H new ATOM 0 HG22 THR B 111 6.620 -9.948 -5.259 1.00 8.61 H new ATOM 0 HG23 THR B 111 5.271 -9.046 -4.527 1.00 8.61 H new ATOM 3506 N ASN B 112 9.006 -9.706 -2.960 1.00 9.14 N ATOM 3507 CA ASN B 112 10.151 -10.609 -2.977 1.00 9.70 C ATOM 3508 C ASN B 112 10.043 -11.589 -4.138 1.00 10.21 C ATOM 3509 O ASN B 112 9.023 -12.259 -4.310 1.00 10.32 O ATOM 3510 CB ASN B 112 10.277 -11.372 -1.654 1.00 10.52 C ATOM 3511 CG ASN B 112 11.122 -12.633 -1.778 1.00 11.13 C ATOM 3512 OD1 ASN B 112 10.593 -13.743 -1.835 1.00 11.84 O ATOM 3513 ND2 ASN B 112 12.437 -12.473 -1.835 1.00 10.90 N ATOM 0 H ASN B 112 8.348 -9.864 -2.197 1.00 9.14 H new ATOM 0 HA ASN B 112 11.048 -10.004 -3.108 1.00 9.70 H new ATOM 0 HB2 ASN B 112 10.718 -10.717 -0.903 1.00 10.52 H new ATOM 0 HB3 ASN B 112 9.282 -11.640 -1.298 1.00 10.52 H new ATOM 0 HD21 ASN B 112 13.046 -13.286 -1.929 1.00 10.90 H new ATOM 0 HD22 ASN B 112 12.840 -11.537 -1.785 1.00 10.90 H new ATOM 3520 N VAL B 113 11.095 -11.652 -4.937 1.00 10.57 N ATOM 3521 CA VAL B 113 11.137 -12.549 -6.080 1.00 11.22 C ATOM 3522 C VAL B 113 11.942 -13.792 -5.729 1.00 11.42 C ATOM 3523 O VAL B 113 11.458 -14.916 -5.846 1.00 11.44 O ATOM 3524 CB VAL B 113 11.766 -11.864 -7.314 1.00 11.03 C ATOM 3525 CG1 VAL B 113 11.678 -12.758 -8.540 1.00 11.77 C ATOM 3526 CG2 VAL B 113 11.103 -10.523 -7.584 1.00 10.85 C ATOM 0 H VAL B 113 11.936 -11.089 -4.814 1.00 10.57 H new ATOM 0 HA VAL B 113 10.112 -12.824 -6.327 1.00 11.22 H new ATOM 0 HB VAL B 113 12.820 -11.689 -7.097 1.00 11.03 H new ATOM 0 HG11 VAL B 113 12.128 -12.251 -9.393 1.00 11.77 H new ATOM 0 HG12 VAL B 113 12.210 -13.690 -8.350 1.00 11.77 H new ATOM 0 HG13 VAL B 113 10.632 -12.975 -8.757 1.00 11.77 H new ATOM 0 HG21 VAL B 113 11.562 -10.059 -8.457 1.00 10.85 H new ATOM 0 HG22 VAL B 113 10.040 -10.674 -7.770 1.00 10.85 H new ATOM 0 HG23 VAL B 113 11.231 -9.873 -6.718 1.00 10.85 H new ATOM 3536 N LYS B 114 13.177 -13.575 -5.290 1.00 11.62 N ATOM 3537 CA LYS B 114 14.061 -14.668 -4.913 1.00 11.92 C ATOM 3538 C LYS B 114 14.755 -14.337 -3.598 1.00 12.21 C ATOM 3539 O LYS B 114 14.162 -14.594 -2.530 1.00 12.68 O ATOM 3540 CB LYS B 114 15.111 -14.925 -6.001 1.00 12.06 C ATOM 3541 CG LYS B 114 14.534 -15.106 -7.396 1.00 11.92 C ATOM 3542 CD LYS B 114 15.631 -15.283 -8.431 1.00 12.03 C ATOM 3543 CE LYS B 114 16.291 -16.648 -8.316 1.00 11.97 C ATOM 3544 NZ LYS B 114 17.464 -16.775 -9.217 1.00 12.15 N ATOM 0 H LYS B 114 13.588 -12.647 -5.187 1.00 11.62 H new ATOM 0 HA LYS B 114 13.461 -15.570 -4.795 1.00 11.92 H new ATOM 0 HB2 LYS B 114 15.813 -14.091 -6.016 1.00 12.06 H new ATOM 0 HB3 LYS B 114 15.680 -15.816 -5.737 1.00 12.06 H new ATOM 0 HG2 LYS B 114 13.876 -15.975 -7.409 1.00 11.92 H new ATOM 0 HG3 LYS B 114 13.924 -14.240 -7.654 1.00 11.92 H new ATOM 0 HD2 LYS B 114 15.213 -15.163 -9.430 1.00 12.03 H new ATOM 0 HD3 LYS B 114 16.382 -14.503 -8.304 1.00 12.03 H new ATOM 0 HE2 LYS B 114 16.606 -16.813 -7.286 1.00 11.97 H new ATOM 0 HE3 LYS B 114 15.564 -17.424 -8.556 1.00 11.97 H new ATOM 0 HZ1 LYS B 114 17.885 -17.720 -9.108 1.00 12.15 H new ATOM 0 HZ2 LYS B 114 17.160 -16.643 -10.203 1.00 12.15 H new ATOM 0 HZ3 LYS B 114 18.170 -16.051 -8.972 1.00 12.15 H new TER 3558 LYS B 114