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= 0.702 K(o=4,f=-9.5!) USER MOD Set 1.2: B 92 SER OG : rot -77:sc= 1.4 USER MOD Set 1.3: B 108 CYS SG : rot 128:sc= 1.89 USER MOD Set 2.1: B 88 MET CE :methyl -120:sc= -0.138 (180deg=-1.4) USER MOD Set 2.2: B 90 THR OG1 : rot -94:sc= 0.806 USER MOD Set 2.3: B 110 ASN : amide:sc= 0.821 K(o=1.5,f=-1.2) USER MOD Set 3.1: B 35 TYR OH : rot 99:sc= 0.724 USER MOD Set 3.2: B 83 GLN : amide:sc= 0.54 K(o=1.3,f=-2.7!) USER MOD Set 4.1: A 14 SER OG : rot -74:sc= 0.494 USER MOD Set 4.2: A 88 MET CE :methyl 151:sc= -0.0478 (180deg=-0.265) USER MOD Set 4.3: A 90 THR OG1 : rot 126:sc= 1.39 USER MOD Set 4.4: A 110 ASN : amide:sc= -0.366 K(o=1.5,f=-0.79) USER MOD Set 5.1: A 73 SER OG : rot -95:sc= 0.979 USER MOD Set 5.2: A 91 SER OG : rot -171:sc= 1.89 USER MOD Set 6.1: A 70 GLN :FLIP amide:sc= -0.445 F(o=-1.4,f=-0.48) USER MOD Set 6.2: B 27 HIS :FLIP no HE2:sc= -0.0372 F(o=-2.9,f=-0.48) USER MOD Set 7.1: A 16 HIS : no HE2:sc= 2.06 K(o=4.9,f=-15!) USER MOD Set 7.2: A 92 SER OG : rot -80:sc= 1.25 USER MOD Set 7.3: A 108 CYS SG : rot 127:sc= 1.61 USER MOD Set 8.1: A 7 CYS SG : rot 180:sc= 0 USER MOD Set 8.2: B 73 SER OG : rot -121:sc= 0.502 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 17 ASN : amide:sc= 0.575 K(o=0.58,f=-6.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 27 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4.1!) USER MOD Single : A 29 CYS SG : rot 80:sc= 0.935 USER MOD Single : A 32 THR OG1 : rot 70:sc= 1.08 USER MOD Single : A 35 TYR OH : rot 128:sc= 0.225 USER MOD Single : A 36 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1) USER MOD Single : A 38 GLN : amide:sc= 0.623 K(o=0.62,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 0.494 (180deg=-0.349!) USER MOD Single : A 44 ASN : amide:sc= 0.332 X(o=0.33,f=0.18) USER MOD Single : A 49 CYS SG : rot 82:sc= -0.435 USER MOD Single : A 50 HIS : no HE2:sc= 0.739 K(o=0.74,f=-5.8!) USER MOD Single : A 54 GLN : amide:sc= -0.708 K(o=-0.71,f=-3.1!) USER MOD Single : A 55 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.53) USER MOD Single : A 60 SER OG : rot 85:sc= 1.24 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0451 F(o=-0.91,f=-0.045) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= 1.51 (180deg=0.988) USER MOD Single : A 75 MET CE :methyl 152:sc= -0.0185 (180deg=-0.605) USER MOD Single : A 80 SER OG : rot 180:sc= -0.343! USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.963) USER MOD Single : A 82 ASN : amide:sc= 0.254 K(o=0.25,f=-0.69) USER MOD Single : A 83 GLN : amide:sc= 0.944 K(o=0.94,f=-7.7!) USER MOD Single : A 94 THR OG1 : rot -142:sc= 1.47 USER MOD Single : A 96 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.0359 K(o=-0.036,f=-7.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0.793 USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.152 USER MOD Single : A 111 THR OG1 : rot -115:sc= 0.665 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.181 F(o=-1.4!,f=-0.18) 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= 1.68 K(o=1.7,f=-4.1!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.105 USER MOD Single : B 14 SER OG : rot 75:sc= 1.05 USER MOD Single : B 17 ASN : amide:sc= -0.389 K(o=-0.39,f=-6.2!) USER MOD Single : B 23 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : B 29 CYS SG : rot 100:sc= 0.917 USER MOD Single : B 32 THR OG1 : rot 73:sc= 0.771 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.0342 F(o=-1.5!,f=-0.034) USER MOD Single : B 38 GLN : amide:sc= 1.04 K(o=1,f=-6.2!) USER MOD Single : B 43 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.21) USER MOD Single : B 44 ASN : amide:sc= 0.991 K(o=0.99,f=0.016) USER MOD Single : B 49 CYS SG : rot 75:sc= 0.682 USER MOD Single : B 50 HIS : no HE2:sc= 0.182 K(o=0.18,f=-4.5!) USER MOD Single : B 54 GLN : amide:sc= 0.305 K(o=0.3,f=-0.43) USER MOD Single : B 55 GLN : amide:sc= -1.81! C(o=-1.8!,f=-9.4!) USER MOD Single : B 60 SER OG : rot 80:sc= 1.25 USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : B 63 GLN : amide:sc= 1.16 K(o=1.2,f=-1.4!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.2) USER MOD Single : B 70 GLN : amide:sc= -0.615 X(o=-0.61,f=-1!) USER MOD Single : B 75 MET CE :methyl 170:sc=-0.00343 (180deg=-0.186) USER MOD Single : B 80 SER OG : rot 140:sc= -0.651 USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : B 82 ASN : amide:sc= 1.15 K(o=1.2,f=-0.057) USER MOD Single : B 91 SER OG : rot 180:sc= 0 USER MOD Single : B 94 THR OG1 : rot -151:sc= 0.486 USER MOD Single : B 96 GLN : amide:sc= 0.0361 K(o=0.036,f=-3.4!) USER MOD Single : B 97 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.6!) USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 SER OG : rot 180:sc= -0.67 USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot -84:sc= 1.24 USER MOD Single : B 111 THR OG1 : rot 79:sc= 0.855 USER MOD Single : B 112 ASN : amide:sc= 0.0919 X(o=0.092,f=0) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 7 6.623 -2.697 -13.746 1.00 15.60 N ATOM 2 CA CYS A 7 5.570 -3.706 -13.511 1.00 14.69 C ATOM 3 C CYS A 7 4.642 -3.247 -12.393 1.00 14.16 C ATOM 4 O CYS A 7 5.092 -2.931 -11.291 1.00 14.28 O ATOM 5 CB CYS A 7 6.206 -5.053 -13.151 1.00 14.54 C ATOM 6 SG CYS A 7 7.573 -5.539 -14.232 1.00 15.21 S ATOM 0 HA CYS A 7 4.985 -3.825 -14.423 1.00 14.69 H new ATOM 0 HB2 CYS A 7 6.568 -5.008 -12.124 1.00 14.54 H new ATOM 0 HB3 CYS A 7 5.438 -5.826 -13.185 1.00 14.54 H new ATOM 0 HG CYS A 7 8.044 -6.687 -13.846 1.00 15.21 H new ATOM 12 N GLN A 8 3.350 -3.186 -12.687 1.00 13.72 N ATOM 13 CA GLN A 8 2.363 -2.767 -11.704 1.00 13.30 C ATOM 14 C GLN A 8 1.954 -3.937 -10.818 1.00 12.74 C ATOM 15 O GLN A 8 1.430 -4.943 -11.306 1.00 12.41 O ATOM 16 CB GLN A 8 1.131 -2.179 -12.393 1.00 13.55 C ATOM 17 CG GLN A 8 1.435 -0.968 -13.261 1.00 14.28 C ATOM 18 CD GLN A 8 0.315 0.052 -13.254 1.00 14.71 C ATOM 19 OE1 GLN A 8 -0.858 -0.292 -13.099 1.00 14.83 O ATOM 20 NE2 GLN A 8 0.668 1.317 -13.415 1.00 15.08 N ATOM 0 H GLN A 8 2.962 -3.422 -13.600 1.00 13.72 H new ATOM 0 HA GLN A 8 2.816 -1.997 -11.079 1.00 13.30 H new ATOM 0 HB2 GLN A 8 0.668 -2.950 -13.009 1.00 13.55 H new ATOM 0 HB3 GLN A 8 0.401 -1.897 -11.634 1.00 13.55 H new ATOM 0 HG2 GLN A 8 2.353 -0.496 -12.911 1.00 14.28 H new ATOM 0 HG3 GLN A 8 1.616 -1.296 -14.285 1.00 14.28 H new ATOM 0 HE21 GLN A 8 1.651 1.560 -13.540 1.00 15.08 H new ATOM 0 HE22 GLN A 8 -0.042 2.049 -13.414 1.00 15.08 H new ATOM 29 N PRO A 9 2.211 -3.827 -9.504 1.00 12.79 N ATOM 30 CA PRO A 9 1.863 -4.870 -8.536 1.00 12.47 C ATOM 31 C PRO A 9 0.363 -4.932 -8.278 1.00 11.53 C ATOM 32 O PRO A 9 -0.361 -3.966 -8.533 1.00 11.34 O ATOM 33 CB PRO A 9 2.607 -4.437 -7.269 1.00 12.83 C ATOM 34 CG PRO A 9 2.721 -2.957 -7.389 1.00 13.43 C ATOM 35 CD PRO A 9 2.867 -2.672 -8.858 1.00 13.37 C ATOM 0 HA PRO A 9 2.136 -5.865 -8.886 1.00 12.47 H new ATOM 0 HB2 PRO A 9 2.059 -4.721 -6.371 1.00 12.83 H new ATOM 0 HB3 PRO A 9 3.589 -4.907 -7.205 1.00 12.83 H new ATOM 0 HG2 PRO A 9 1.839 -2.463 -6.981 1.00 13.43 H new ATOM 0 HG3 PRO A 9 3.581 -2.585 -6.832 1.00 13.43 H new ATOM 0 HD2 PRO A 9 2.387 -1.733 -9.134 1.00 13.37 H new ATOM 0 HD3 PRO A 9 3.915 -2.592 -9.149 1.00 13.37 H new ATOM 43 N THR A 10 -0.104 -6.062 -7.766 1.00 11.09 N ATOM 44 CA THR A 10 -1.516 -6.242 -7.474 1.00 10.34 C ATOM 45 C THR A 10 -1.877 -5.646 -6.114 1.00 9.71 C ATOM 46 O THR A 10 -2.475 -6.307 -5.263 1.00 9.71 O ATOM 47 CB THR A 10 -1.890 -7.731 -7.509 1.00 10.40 C ATOM 48 OG1 THR A 10 -0.743 -8.512 -7.886 1.00 11.09 O ATOM 49 CG2 THR A 10 -3.018 -7.977 -8.497 1.00 10.67 C ATOM 0 H THR A 10 0.478 -6.870 -7.544 1.00 11.09 H new ATOM 0 HA THR A 10 -2.083 -5.717 -8.242 1.00 10.34 H new ATOM 0 HB THR A 10 -2.224 -8.027 -6.515 1.00 10.40 H new ATOM 0 HG1 THR A 10 -0.986 -9.461 -7.905 1.00 11.09 H new ATOM 0 HG21 THR A 10 -3.268 -9.038 -8.507 1.00 10.67 H new ATOM 0 HG22 THR A 10 -3.894 -7.400 -8.200 1.00 10.67 H new ATOM 0 HG23 THR A 10 -2.702 -7.669 -9.494 1.00 10.67 H new ATOM 57 N GLU A 11 -1.503 -4.390 -5.926 1.00 9.37 N ATOM 58 CA GLU A 11 -1.767 -3.669 -4.692 1.00 9.01 C ATOM 59 C GLU A 11 -1.993 -2.202 -5.016 1.00 8.63 C ATOM 60 O GLU A 11 -1.277 -1.633 -5.841 1.00 9.08 O ATOM 61 CB GLU A 11 -0.591 -3.817 -3.721 1.00 9.39 C ATOM 62 CG GLU A 11 -0.752 -3.009 -2.441 1.00 9.30 C ATOM 63 CD GLU A 11 0.475 -3.059 -1.556 1.00 10.28 C ATOM 64 OE1 GLU A 11 1.441 -2.314 -1.833 1.00 10.59 O ATOM 65 OE2 GLU A 11 0.471 -3.836 -0.574 1.00 10.48 O ATOM 0 H GLU A 11 -1.006 -3.841 -6.628 1.00 9.37 H new ATOM 0 HA GLU A 11 -2.656 -4.083 -4.216 1.00 9.01 H new ATOM 0 HB2 GLU A 11 -0.473 -4.870 -3.464 1.00 9.39 H new ATOM 0 HB3 GLU A 11 0.325 -3.507 -4.223 1.00 9.39 H new ATOM 0 HG2 GLU A 11 -0.968 -1.972 -2.697 1.00 9.30 H new ATOM 0 HG3 GLU A 11 -1.611 -3.385 -1.885 1.00 9.30 H new ATOM 72 N PHE A 12 -2.993 -1.594 -4.394 1.00 8.06 N ATOM 73 CA PHE A 12 -3.286 -0.190 -4.639 1.00 8.00 C ATOM 74 C PHE A 12 -3.933 0.467 -3.422 1.00 7.20 C ATOM 75 O PHE A 12 -4.567 -0.200 -2.600 1.00 6.96 O ATOM 76 CB PHE A 12 -4.178 -0.039 -5.878 1.00 8.48 C ATOM 77 CG PHE A 12 -5.574 -0.581 -5.725 1.00 7.99 C ATOM 78 CD1 PHE A 12 -5.834 -1.930 -5.905 1.00 8.45 C ATOM 79 CD2 PHE A 12 -6.630 0.267 -5.426 1.00 7.85 C ATOM 80 CE1 PHE A 12 -7.117 -2.425 -5.782 1.00 8.74 C ATOM 81 CE2 PHE A 12 -7.916 -0.222 -5.305 1.00 8.21 C ATOM 82 CZ PHE A 12 -8.160 -1.569 -5.484 1.00 8.93 C ATOM 0 H PHE A 12 -3.611 -2.047 -3.721 1.00 8.06 H new ATOM 0 HA PHE A 12 -2.342 0.322 -4.824 1.00 8.00 H new ATOM 0 HB2 PHE A 12 -4.241 1.018 -6.136 1.00 8.48 H new ATOM 0 HB3 PHE A 12 -3.698 -0.543 -6.717 1.00 8.48 H new ATOM 0 HD1 PHE A 12 -5.023 -2.602 -6.144 1.00 8.45 H new ATOM 0 HD2 PHE A 12 -6.445 1.322 -5.286 1.00 7.85 H new ATOM 0 HE1 PHE A 12 -7.305 -3.480 -5.918 1.00 8.74 H new ATOM 0 HE2 PHE A 12 -8.730 0.448 -5.071 1.00 8.21 H new ATOM 0 HZ PHE A 12 -9.165 -1.953 -5.391 1.00 8.93 H new ATOM 92 N ILE A 13 -3.763 1.780 -3.308 1.00 7.08 N ATOM 93 CA ILE A 13 -4.326 2.534 -2.198 1.00 6.69 C ATOM 94 C ILE A 13 -5.739 3.006 -2.524 1.00 5.92 C ATOM 95 O ILE A 13 -5.981 3.627 -3.560 1.00 5.90 O ATOM 96 CB ILE A 13 -3.440 3.748 -1.835 1.00 7.52 C ATOM 97 CG1 ILE A 13 -2.152 3.278 -1.154 1.00 8.17 C ATOM 98 CG2 ILE A 13 -4.192 4.728 -0.940 1.00 7.63 C ATOM 99 CD1 ILE A 13 -2.389 2.524 0.135 1.00 8.66 C ATOM 0 H ILE A 13 -3.237 2.345 -3.975 1.00 7.08 H new ATOM 0 HA ILE A 13 -4.365 1.866 -1.338 1.00 6.69 H new ATOM 0 HB ILE A 13 -3.180 4.268 -2.757 1.00 7.52 H new ATOM 0 HG12 ILE A 13 -1.599 2.639 -1.843 1.00 8.17 H new ATOM 0 HG13 ILE A 13 -1.523 4.144 -0.948 1.00 8.17 H new ATOM 0 HG21 ILE A 13 -3.545 5.572 -0.700 1.00 7.63 H new ATOM 0 HG22 ILE A 13 -5.080 5.088 -1.460 1.00 7.63 H new ATOM 0 HG23 ILE A 13 -4.489 4.226 -0.019 1.00 7.63 H new ATOM 0 HD11 ILE A 13 -1.432 2.222 0.561 1.00 8.66 H new ATOM 0 HD12 ILE A 13 -2.914 3.167 0.841 1.00 8.66 H new ATOM 0 HD13 ILE A 13 -2.992 1.639 -0.067 1.00 8.66 H new ATOM 111 N SER A 14 -6.667 2.700 -1.636 1.00 5.60 N ATOM 112 CA SER A 14 -8.052 3.085 -1.813 1.00 5.30 C ATOM 113 C SER A 14 -8.448 4.163 -0.806 1.00 5.64 C ATOM 114 O SER A 14 -8.760 3.864 0.350 1.00 6.11 O ATOM 115 CB SER A 14 -8.946 1.859 -1.650 1.00 5.40 C ATOM 116 OG SER A 14 -8.326 0.708 -2.196 1.00 5.67 O ATOM 0 H SER A 14 -6.482 2.181 -0.778 1.00 5.60 H new ATOM 0 HA SER A 14 -8.177 3.495 -2.815 1.00 5.30 H new ATOM 0 HB2 SER A 14 -9.159 1.696 -0.593 1.00 5.40 H new ATOM 0 HB3 SER A 14 -9.902 2.032 -2.145 1.00 5.40 H new ATOM 0 HG SER A 14 -8.365 0.748 -3.174 1.00 5.67 H new ATOM 122 N ARG A 15 -8.412 5.415 -1.241 1.00 5.77 N ATOM 123 CA ARG A 15 -8.779 6.536 -0.387 1.00 6.44 C ATOM 124 C ARG A 15 -10.284 6.756 -0.454 1.00 6.84 C ATOM 125 O ARG A 15 -10.810 7.169 -1.487 1.00 7.10 O ATOM 126 CB ARG A 15 -8.053 7.807 -0.833 1.00 6.76 C ATOM 127 CG ARG A 15 -6.888 8.218 0.052 1.00 7.07 C ATOM 128 CD ARG A 15 -6.205 9.456 -0.504 1.00 7.39 C ATOM 129 NE ARG A 15 -5.320 10.090 0.472 1.00 8.02 N ATOM 130 CZ ARG A 15 -4.106 10.555 0.188 1.00 8.40 C ATOM 131 NH1 ARG A 15 -3.610 10.434 -1.035 1.00 8.31 N ATOM 132 NH2 ARG A 15 -3.391 11.145 1.132 1.00 9.09 N ATOM 0 H ARG A 15 -8.131 5.681 -2.185 1.00 5.77 H new ATOM 0 HA ARG A 15 -8.488 6.308 0.638 1.00 6.44 H new ATOM 0 HB2 ARG A 15 -7.686 7.662 -1.849 1.00 6.76 H new ATOM 0 HB3 ARG A 15 -8.771 8.626 -0.868 1.00 6.76 H new ATOM 0 HG2 ARG A 15 -7.244 8.416 1.063 1.00 7.07 H new ATOM 0 HG3 ARG A 15 -6.171 7.400 0.121 1.00 7.07 H new ATOM 0 HD2 ARG A 15 -5.630 9.184 -1.389 1.00 7.39 H new ATOM 0 HD3 ARG A 15 -6.962 10.173 -0.824 1.00 7.39 H new ATOM 0 HE ARG A 15 -5.654 10.182 1.431 1.00 8.02 H new ATOM 0 HH11 ARG A 15 -4.160 9.982 -1.766 1.00 8.31 H new ATOM 0 HH12 ARG A 15 -2.679 10.793 -1.245 1.00 8.31 H new ATOM 0 HH21 ARG A 15 -3.771 11.242 2.074 1.00 9.09 H new ATOM 0 HH22 ARG A 15 -2.460 11.503 0.918 1.00 9.09 H new ATOM 146 N HIS A 16 -10.975 6.463 0.635 1.00 7.25 N ATOM 147 CA HIS A 16 -12.422 6.624 0.683 1.00 8.00 C ATOM 148 C HIS A 16 -12.869 7.019 2.081 1.00 8.80 C ATOM 149 O HIS A 16 -12.179 6.733 3.058 1.00 9.25 O ATOM 150 CB HIS A 16 -13.125 5.328 0.252 1.00 7.87 C ATOM 151 CG HIS A 16 -12.884 4.161 1.161 1.00 8.55 C ATOM 152 ND1 HIS A 16 -13.516 4.004 2.377 1.00 8.91 N ATOM 153 CD2 HIS A 16 -12.072 3.091 1.023 1.00 9.13 C ATOM 154 CE1 HIS A 16 -13.106 2.888 2.942 1.00 9.65 C ATOM 155 NE2 HIS A 16 -12.229 2.312 2.144 1.00 9.79 N ATOM 0 H HIS A 16 -10.559 6.113 1.498 1.00 7.25 H new ATOM 0 HA HIS A 16 -12.698 7.418 -0.010 1.00 8.00 H new ATOM 0 HB2 HIS A 16 -14.198 5.513 0.195 1.00 7.87 H new ATOM 0 HB3 HIS A 16 -12.793 5.065 -0.752 1.00 7.87 H new ATOM 0 HD1 HIS A 16 -14.195 4.652 2.776 1.00 8.91 H new ATOM 0 HD2 HIS A 16 -11.420 2.886 0.187 1.00 9.13 H new ATOM 0 HE1 HIS A 16 -13.433 2.508 3.899 1.00 9.65 H new ATOM 164 N ASN A 17 -14.026 7.657 2.177 1.00 9.21 N ATOM 165 CA ASN A 17 -14.555 8.080 3.470 1.00 10.20 C ATOM 166 C ASN A 17 -15.148 6.894 4.232 1.00 10.40 C ATOM 167 O ASN A 17 -15.075 5.749 3.771 1.00 10.47 O ATOM 168 CB ASN A 17 -15.595 9.198 3.300 1.00 11.03 C ATOM 169 CG ASN A 17 -16.967 8.708 2.871 1.00 11.85 C ATOM 170 OD1 ASN A 17 -17.110 7.676 2.211 1.00 11.82 O ATOM 171 ND2 ASN A 17 -17.988 9.454 3.252 1.00 12.69 N ATOM 0 H ASN A 17 -14.616 7.894 1.380 1.00 9.21 H new ATOM 0 HA ASN A 17 -13.727 8.478 4.057 1.00 10.20 H new ATOM 0 HB2 ASN A 17 -15.692 9.736 4.243 1.00 11.03 H new ATOM 0 HB3 ASN A 17 -15.229 9.911 2.562 1.00 11.03 H new ATOM 0 HD21 ASN A 17 -18.939 9.184 3.001 1.00 12.69 H new ATOM 0 HD22 ASN A 17 -17.826 10.301 3.797 1.00 12.69 H new ATOM 178 N ILE A 18 -15.742 7.175 5.390 1.00 10.70 N ATOM 179 CA ILE A 18 -16.335 6.142 6.242 1.00 11.18 C ATOM 180 C ILE A 18 -17.490 5.400 5.562 1.00 11.08 C ATOM 181 O ILE A 18 -17.780 4.254 5.903 1.00 11.25 O ATOM 182 CB ILE A 18 -16.833 6.736 7.577 1.00 12.00 C ATOM 183 CG1 ILE A 18 -17.768 7.923 7.322 1.00 12.63 C ATOM 184 CG2 ILE A 18 -15.653 7.157 8.441 1.00 12.34 C ATOM 185 CD1 ILE A 18 -18.393 8.491 8.580 1.00 13.58 C ATOM 0 H ILE A 18 -15.827 8.120 5.764 1.00 10.70 H new ATOM 0 HA ILE A 18 -15.538 5.423 6.433 1.00 11.18 H new ATOM 0 HB ILE A 18 -17.394 5.969 8.110 1.00 12.00 H new ATOM 0 HG12 ILE A 18 -17.210 8.711 6.817 1.00 12.63 H new ATOM 0 HG13 ILE A 18 -18.561 7.609 6.643 1.00 12.63 H new ATOM 0 HG21 ILE A 18 -16.019 7.574 9.379 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -15.027 6.289 8.650 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -15.066 7.910 7.914 1.00 12.34 H new ATOM 0 HD11 ILE A 18 -19.041 9.327 8.319 1.00 13.58 H new ATOM 0 HD12 ILE A 18 -18.980 7.718 9.076 1.00 13.58 H new ATOM 0 HD13 ILE A 18 -17.608 8.837 9.252 1.00 13.58 H new ATOM 197 N GLU A 19 -18.145 6.047 4.604 1.00 10.98 N ATOM 198 CA GLU A 19 -19.259 5.425 3.894 1.00 11.15 C ATOM 199 C GLU A 19 -18.750 4.418 2.873 1.00 10.09 C ATOM 200 O GLU A 19 -19.415 3.430 2.566 1.00 10.09 O ATOM 201 CB GLU A 19 -20.096 6.480 3.177 1.00 12.03 C ATOM 202 CG GLU A 19 -20.780 7.462 4.104 1.00 13.15 C ATOM 203 CD GLU A 19 -21.411 8.609 3.348 1.00 13.37 C ATOM 204 OE1 GLU A 19 -20.689 9.563 3.002 1.00 13.50 O ATOM 205 OE2 GLU A 19 -22.630 8.561 3.088 1.00 13.85 O ATOM 0 H GLU A 19 -17.926 6.996 4.302 1.00 10.98 H new ATOM 0 HA GLU A 19 -19.877 4.912 4.631 1.00 11.15 H new ATOM 0 HB2 GLU A 19 -19.454 7.032 2.490 1.00 12.03 H new ATOM 0 HB3 GLU A 19 -20.853 5.979 2.573 1.00 12.03 H new ATOM 0 HG2 GLU A 19 -21.546 6.943 4.681 1.00 13.15 H new ATOM 0 HG3 GLU A 19 -20.054 7.853 4.817 1.00 13.15 H new ATOM 212 N GLY A 20 -17.568 4.682 2.340 1.00 9.38 N ATOM 213 CA GLY A 20 -16.992 3.803 1.350 1.00 8.49 C ATOM 214 C GLY A 20 -16.796 4.516 0.034 1.00 8.41 C ATOM 215 O GLY A 20 -16.208 3.966 -0.894 1.00 8.52 O ATOM 0 H GLY A 20 -16.997 5.493 2.577 1.00 9.38 H new ATOM 0 HA2 GLY A 20 -16.034 3.426 1.708 1.00 8.49 H new ATOM 0 HA3 GLY A 20 -17.641 2.939 1.205 1.00 8.49 H new ATOM 219 N ILE A 21 -17.295 5.747 -0.028 1.00 8.47 N ATOM 220 CA ILE A 21 -17.183 6.575 -1.221 1.00 8.70 C ATOM 221 C ILE A 21 -15.732 6.976 -1.435 1.00 8.24 C ATOM 222 O ILE A 21 -15.139 7.647 -0.589 1.00 8.70 O ATOM 223 CB ILE A 21 -18.049 7.849 -1.106 1.00 9.49 C ATOM 224 CG1 ILE A 21 -19.506 7.482 -0.809 1.00 10.11 C ATOM 225 CG2 ILE A 21 -17.952 8.684 -2.376 1.00 9.59 C ATOM 226 CD1 ILE A 21 -20.195 6.734 -1.932 1.00 10.74 C ATOM 0 H ILE A 21 -17.786 6.196 0.745 1.00 8.47 H new ATOM 0 HA ILE A 21 -17.540 5.990 -2.068 1.00 8.70 H new ATOM 0 HB ILE A 21 -17.670 8.447 -0.278 1.00 9.49 H new ATOM 0 HG12 ILE A 21 -19.539 6.872 0.094 1.00 10.11 H new ATOM 0 HG13 ILE A 21 -20.064 8.394 -0.598 1.00 10.11 H new ATOM 0 HG21 ILE A 21 -18.570 9.576 -2.273 1.00 9.59 H new ATOM 0 HG22 ILE A 21 -16.915 8.977 -2.540 1.00 9.59 H new ATOM 0 HG23 ILE A 21 -18.302 8.097 -3.225 1.00 9.59 H new ATOM 0 HD11 ILE A 21 -21.222 6.511 -1.644 1.00 10.74 H new ATOM 0 HD12 ILE A 21 -20.196 7.349 -2.832 1.00 10.74 H new ATOM 0 HD13 ILE A 21 -19.663 5.803 -2.129 1.00 10.74 H new ATOM 238 N PHE A 22 -15.168 6.552 -2.555 1.00 7.56 N ATOM 239 CA PHE A 22 -13.776 6.845 -2.874 1.00 7.35 C ATOM 240 C PHE A 22 -13.574 8.301 -3.271 1.00 7.07 C ATOM 241 O PHE A 22 -14.324 8.850 -4.083 1.00 7.53 O ATOM 242 CB PHE A 22 -13.283 5.935 -3.999 1.00 7.50 C ATOM 243 CG PHE A 22 -13.240 4.479 -3.628 1.00 8.14 C ATOM 244 CD1 PHE A 22 -14.381 3.697 -3.701 1.00 8.51 C ATOM 245 CD2 PHE A 22 -12.057 3.893 -3.212 1.00 8.60 C ATOM 246 CE1 PHE A 22 -14.344 2.360 -3.362 1.00 9.27 C ATOM 247 CE2 PHE A 22 -12.014 2.555 -2.872 1.00 9.42 C ATOM 248 CZ PHE A 22 -13.159 1.787 -2.948 1.00 9.73 C ATOM 0 H PHE A 22 -15.654 6.001 -3.263 1.00 7.56 H new ATOM 0 HA PHE A 22 -13.196 6.659 -1.970 1.00 7.35 H new ATOM 0 HB2 PHE A 22 -13.932 6.060 -4.866 1.00 7.50 H new ATOM 0 HB3 PHE A 22 -12.285 6.253 -4.300 1.00 7.50 H new ATOM 0 HD1 PHE A 22 -15.311 4.139 -4.027 1.00 8.51 H new ATOM 0 HD2 PHE A 22 -11.158 4.488 -3.153 1.00 8.60 H new ATOM 0 HE1 PHE A 22 -15.242 1.763 -3.421 1.00 9.27 H new ATOM 0 HE2 PHE A 22 -11.085 2.110 -2.547 1.00 9.42 H new ATOM 0 HZ PHE A 22 -13.127 0.740 -2.684 1.00 9.73 H new ATOM 258 N THR A 23 -12.554 8.911 -2.686 1.00 6.58 N ATOM 259 CA THR A 23 -12.202 10.294 -2.967 1.00 6.57 C ATOM 260 C THR A 23 -10.973 10.354 -3.867 1.00 5.83 C ATOM 261 O THR A 23 -10.776 11.315 -4.614 1.00 5.91 O ATOM 262 CB THR A 23 -11.902 11.068 -1.670 1.00 7.05 C ATOM 263 OG1 THR A 23 -11.945 10.174 -0.545 1.00 7.33 O ATOM 264 CG2 THR A 23 -12.894 12.205 -1.471 1.00 7.74 C ATOM 0 H THR A 23 -11.946 8.460 -2.002 1.00 6.58 H new ATOM 0 HA THR A 23 -13.055 10.753 -3.467 1.00 6.57 H new ATOM 0 HB THR A 23 -10.904 11.498 -1.751 1.00 7.05 H new ATOM 0 HG1 THR A 23 -11.752 10.672 0.276 1.00 7.33 H new ATOM 0 HG21 THR A 23 -12.659 12.735 -0.548 1.00 7.74 H new ATOM 0 HG22 THR A 23 -12.830 12.895 -2.312 1.00 7.74 H new ATOM 0 HG23 THR A 23 -13.904 11.800 -1.410 1.00 7.74 H new ATOM 272 N PHE A 24 -10.142 9.323 -3.776 1.00 5.35 N ATOM 273 CA PHE A 24 -8.927 9.231 -4.573 1.00 4.99 C ATOM 274 C PHE A 24 -8.542 7.767 -4.747 1.00 4.39 C ATOM 275 O PHE A 24 -8.345 7.047 -3.767 1.00 4.25 O ATOM 276 CB PHE A 24 -7.787 10.007 -3.902 1.00 5.47 C ATOM 277 CG PHE A 24 -6.597 10.236 -4.795 1.00 5.80 C ATOM 278 CD1 PHE A 24 -6.709 11.019 -5.935 1.00 5.92 C ATOM 279 CD2 PHE A 24 -5.365 9.677 -4.491 1.00 6.29 C ATOM 280 CE1 PHE A 24 -5.617 11.238 -6.753 1.00 6.43 C ATOM 281 CE2 PHE A 24 -4.270 9.892 -5.308 1.00 6.89 C ATOM 282 CZ PHE A 24 -4.397 10.673 -6.439 1.00 6.92 C ATOM 0 H PHE A 24 -10.291 8.531 -3.151 1.00 5.35 H new ATOM 0 HA PHE A 24 -9.109 9.672 -5.553 1.00 4.99 H new ATOM 0 HB2 PHE A 24 -8.167 10.971 -3.564 1.00 5.47 H new ATOM 0 HB3 PHE A 24 -7.464 9.463 -3.014 1.00 5.47 H new ATOM 0 HD1 PHE A 24 -7.661 11.463 -6.186 1.00 5.92 H new ATOM 0 HD2 PHE A 24 -5.259 9.067 -3.606 1.00 6.29 H new ATOM 0 HE1 PHE A 24 -5.718 11.850 -7.637 1.00 6.43 H new ATOM 0 HE2 PHE A 24 -3.316 9.449 -5.061 1.00 6.89 H new ATOM 0 HZ PHE A 24 -3.543 10.842 -7.078 1.00 6.92 H new ATOM 292 N VAL A 25 -8.453 7.322 -5.986 1.00 4.43 N ATOM 293 CA VAL A 25 -8.108 5.935 -6.263 1.00 4.39 C ATOM 294 C VAL A 25 -6.716 5.824 -6.879 1.00 4.75 C ATOM 295 O VAL A 25 -6.272 6.712 -7.612 1.00 5.12 O ATOM 296 CB VAL A 25 -9.143 5.269 -7.198 1.00 5.05 C ATOM 297 CG1 VAL A 25 -8.989 3.755 -7.190 1.00 5.18 C ATOM 298 CG2 VAL A 25 -10.556 5.659 -6.797 1.00 6.02 C ATOM 0 H VAL A 25 -8.613 7.895 -6.815 1.00 4.43 H new ATOM 0 HA VAL A 25 -8.114 5.411 -5.307 1.00 4.39 H new ATOM 0 HB VAL A 25 -8.959 5.625 -8.211 1.00 5.05 H new ATOM 0 HG11 VAL A 25 -9.729 3.311 -7.856 1.00 5.18 H new ATOM 0 HG12 VAL A 25 -7.988 3.489 -7.531 1.00 5.18 H new ATOM 0 HG13 VAL A 25 -9.139 3.379 -6.178 1.00 5.18 H new ATOM 0 HG21 VAL A 25 -11.270 5.180 -7.467 1.00 6.02 H new ATOM 0 HG22 VAL A 25 -10.746 5.336 -5.774 1.00 6.02 H new ATOM 0 HG23 VAL A 25 -10.667 6.741 -6.862 1.00 6.02 H new ATOM 308 N ASP A 26 -6.030 4.736 -6.551 1.00 5.07 N ATOM 309 CA ASP A 26 -4.687 4.466 -7.059 1.00 5.85 C ATOM 310 C ASP A 26 -4.732 4.172 -8.558 1.00 6.77 C ATOM 311 O ASP A 26 -5.805 4.016 -9.136 1.00 6.87 O ATOM 312 CB ASP A 26 -4.100 3.266 -6.311 1.00 5.75 C ATOM 313 CG ASP A 26 -2.585 3.206 -6.332 1.00 6.66 C ATOM 314 OD1 ASP A 26 -2.004 2.910 -7.400 1.00 7.31 O ATOM 315 OD2 ASP A 26 -1.972 3.415 -5.268 1.00 6.95 O ATOM 0 H ASP A 26 -6.388 4.014 -5.925 1.00 5.07 H new ATOM 0 HA ASP A 26 -4.060 5.343 -6.899 1.00 5.85 H new ATOM 0 HB2 ASP A 26 -4.438 3.296 -5.275 1.00 5.75 H new ATOM 0 HB3 ASP A 26 -4.496 2.349 -6.749 1.00 5.75 H new ATOM 320 N HIS A 27 -3.573 4.093 -9.184 1.00 7.68 N ATOM 321 CA HIS A 27 -3.495 3.813 -10.610 1.00 8.77 C ATOM 322 C HIS A 27 -3.306 2.319 -10.840 1.00 9.47 C ATOM 323 O HIS A 27 -3.626 1.794 -11.907 1.00 9.87 O ATOM 324 CB HIS A 27 -2.338 4.585 -11.247 1.00 9.42 C ATOM 325 CG HIS A 27 -2.659 6.013 -11.572 1.00 10.21 C ATOM 326 ND1 HIS A 27 -1.710 6.918 -11.991 1.00 10.91 N ATOM 327 CD2 HIS A 27 -3.830 6.690 -11.535 1.00 10.62 C ATOM 328 CE1 HIS A 27 -2.281 8.088 -12.196 1.00 11.67 C ATOM 329 NE2 HIS A 27 -3.569 7.981 -11.926 1.00 11.51 N ATOM 0 H HIS A 27 -2.669 4.219 -8.728 1.00 7.68 H new ATOM 0 HA HIS A 27 -4.427 4.133 -11.075 1.00 8.77 H new ATOM 0 HB2 HIS A 27 -1.484 4.561 -10.571 1.00 9.42 H new ATOM 0 HB3 HIS A 27 -2.035 4.075 -12.161 1.00 9.42 H new ATOM 0 HD1 HIS A 27 -0.719 6.715 -12.122 1.00 10.91 H new ATOM 0 HD2 HIS A 27 -4.792 6.290 -11.251 1.00 10.62 H new ATOM 0 HE1 HIS A 27 -1.779 8.984 -12.529 1.00 11.67 H new ATOM 338 N ARG A 28 -2.815 1.634 -9.817 1.00 9.78 N ATOM 339 CA ARG A 28 -2.561 0.199 -9.898 1.00 10.59 C ATOM 340 C ARG A 28 -3.844 -0.617 -9.737 1.00 11.06 C ATOM 341 O ARG A 28 -3.819 -1.849 -9.793 1.00 11.12 O ATOM 342 CB ARG A 28 -1.547 -0.209 -8.831 1.00 10.74 C ATOM 343 CG ARG A 28 -0.201 0.485 -8.980 1.00 11.22 C ATOM 344 CD ARG A 28 0.634 0.367 -7.717 1.00 11.69 C ATOM 345 NE ARG A 28 0.093 1.171 -6.620 1.00 11.31 N ATOM 346 CZ ARG A 28 0.399 0.981 -5.335 1.00 11.44 C ATOM 347 NH1 ARG A 28 1.219 -0.005 -4.981 1.00 11.91 N ATOM 348 NH2 ARG A 28 -0.125 1.766 -4.403 1.00 11.23 N ATOM 0 H ARG A 28 -2.583 2.050 -8.915 1.00 9.78 H new ATOM 0 HA ARG A 28 -2.158 -0.011 -10.889 1.00 10.59 H new ATOM 0 HB2 ARG A 28 -1.956 0.016 -7.846 1.00 10.74 H new ATOM 0 HB3 ARG A 28 -1.398 -1.288 -8.875 1.00 10.74 H new ATOM 0 HG2 ARG A 28 0.343 0.049 -9.818 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -0.358 1.538 -9.215 1.00 11.22 H new ATOM 0 HD2 ARG A 28 0.681 -0.678 -7.411 1.00 11.69 H new ATOM 0 HD3 ARG A 28 1.656 0.683 -7.928 1.00 11.69 H new ATOM 0 HE ARG A 28 -0.557 1.922 -6.852 1.00 11.31 H new ATOM 0 HH11 ARG A 28 1.616 -0.619 -5.693 1.00 11.91 H new ATOM 0 HH12 ARG A 28 1.451 -0.147 -3.998 1.00 11.91 H new ATOM 0 HH21 ARG A 28 -0.763 2.516 -4.668 1.00 11.23 H new ATOM 0 HH22 ARG A 28 0.110 1.619 -3.421 1.00 11.23 H new ATOM 362 N CYS A 29 -4.968 0.067 -9.555 1.00 11.56 N ATOM 363 CA CYS A 29 -6.251 -0.606 -9.387 1.00 12.23 C ATOM 364 C CYS A 29 -6.636 -1.355 -10.659 1.00 12.88 C ATOM 365 O CYS A 29 -7.241 -2.429 -10.605 1.00 12.99 O ATOM 366 CB CYS A 29 -7.339 0.406 -9.023 1.00 12.60 C ATOM 367 SG CYS A 29 -7.605 1.679 -10.274 1.00 12.95 S ATOM 0 H CYS A 29 -5.017 1.085 -9.520 1.00 11.56 H new ATOM 0 HA CYS A 29 -6.155 -1.327 -8.575 1.00 12.23 H new ATOM 0 HB2 CYS A 29 -8.275 -0.127 -8.857 1.00 12.60 H new ATOM 0 HB3 CYS A 29 -7.074 0.886 -8.081 1.00 12.60 H new ATOM 0 HG CYS A 29 -8.336 1.197 -11.235 1.00 12.95 H new ATOM 373 N VAL A 30 -6.252 -0.796 -11.801 1.00 13.46 N ATOM 374 CA VAL A 30 -6.552 -1.400 -13.093 1.00 14.27 C ATOM 375 C VAL A 30 -5.747 -2.682 -13.290 1.00 14.13 C ATOM 376 O VAL A 30 -6.168 -3.592 -14.002 1.00 14.19 O ATOM 377 CB VAL A 30 -6.264 -0.426 -14.255 1.00 15.19 C ATOM 378 CG1 VAL A 30 -6.988 -0.867 -15.517 1.00 16.15 C ATOM 379 CG2 VAL A 30 -6.661 0.993 -13.876 1.00 15.20 C ATOM 0 H VAL A 30 -5.730 0.078 -11.858 1.00 13.46 H new ATOM 0 HA VAL A 30 -7.616 -1.638 -13.098 1.00 14.27 H new ATOM 0 HB VAL A 30 -5.192 -0.439 -14.454 1.00 15.19 H new ATOM 0 HG11 VAL A 30 -6.772 -0.167 -16.324 1.00 16.15 H new ATOM 0 HG12 VAL A 30 -6.650 -1.864 -15.801 1.00 16.15 H new ATOM 0 HG13 VAL A 30 -8.062 -0.887 -15.332 1.00 16.15 H new ATOM 0 HG21 VAL A 30 -6.450 1.664 -14.708 1.00 15.20 H new ATOM 0 HG22 VAL A 30 -7.726 1.024 -13.646 1.00 15.20 H new ATOM 0 HG23 VAL A 30 -6.092 1.309 -13.002 1.00 15.20 H new ATOM 389 N ALA A 31 -4.595 -2.759 -12.643 1.00 14.12 N ATOM 390 CA ALA A 31 -3.749 -3.938 -12.744 1.00 14.20 C ATOM 391 C ALA A 31 -4.178 -4.986 -11.721 1.00 14.41 C ATOM 392 O ALA A 31 -3.951 -6.184 -11.903 1.00 15.07 O ATOM 393 CB ALA A 31 -2.287 -3.564 -12.549 1.00 14.19 C ATOM 0 H ALA A 31 -4.225 -2.021 -12.044 1.00 14.12 H new ATOM 0 HA ALA A 31 -3.862 -4.363 -13.741 1.00 14.20 H new ATOM 0 HB1 ALA A 31 -1.669 -4.458 -12.628 1.00 14.19 H new ATOM 0 HB2 ALA A 31 -1.989 -2.848 -13.315 1.00 14.19 H new ATOM 0 HB3 ALA A 31 -2.154 -3.117 -11.564 1.00 14.19 H new ATOM 399 N THR A 32 -4.817 -4.523 -10.655 1.00 13.95 N ATOM 400 CA THR A 32 -5.273 -5.403 -9.591 1.00 14.24 C ATOM 401 C THR A 32 -6.643 -6.011 -9.907 1.00 14.03 C ATOM 402 O THR A 32 -6.771 -7.229 -10.031 1.00 14.20 O ATOM 403 CB THR A 32 -5.339 -4.653 -8.246 1.00 14.27 C ATOM 404 OG1 THR A 32 -4.094 -3.986 -8.002 1.00 14.90 O ATOM 405 CG2 THR A 32 -5.639 -5.609 -7.100 1.00 14.04 C ATOM 0 H THR A 32 -5.032 -3.537 -10.505 1.00 13.95 H new ATOM 0 HA THR A 32 -4.547 -6.212 -9.515 1.00 14.24 H new ATOM 0 HB THR A 32 -6.145 -3.921 -8.303 1.00 14.27 H new ATOM 0 HG1 THR A 32 -3.995 -3.239 -8.629 1.00 14.90 H new ATOM 0 HG21 THR A 32 -5.680 -5.053 -6.163 1.00 14.04 H new ATOM 0 HG22 THR A 32 -6.598 -6.097 -7.275 1.00 14.04 H new ATOM 0 HG23 THR A 32 -4.854 -6.363 -7.040 1.00 14.04 H new ATOM 413 N VAL A 33 -7.662 -5.167 -10.048 1.00 13.80 N ATOM 414 CA VAL A 33 -9.010 -5.654 -10.334 1.00 13.77 C ATOM 415 C VAL A 33 -9.465 -5.279 -11.741 1.00 13.68 C ATOM 416 O VAL A 33 -10.443 -5.822 -12.253 1.00 13.84 O ATOM 417 CB VAL A 33 -10.038 -5.125 -9.309 1.00 13.66 C ATOM 418 CG1 VAL A 33 -9.821 -5.772 -7.950 1.00 13.80 C ATOM 419 CG2 VAL A 33 -9.965 -3.610 -9.194 1.00 13.68 C ATOM 0 H VAL A 33 -7.583 -4.153 -9.970 1.00 13.80 H new ATOM 0 HA VAL A 33 -8.961 -6.740 -10.259 1.00 13.77 H new ATOM 0 HB VAL A 33 -11.034 -5.390 -9.665 1.00 13.66 H new ATOM 0 HG11 VAL A 33 -10.555 -5.386 -7.242 1.00 13.80 H new ATOM 0 HG12 VAL A 33 -9.935 -6.852 -8.039 1.00 13.80 H new ATOM 0 HG13 VAL A 33 -8.817 -5.542 -7.594 1.00 13.80 H new ATOM 0 HG21 VAL A 33 -10.699 -3.265 -8.466 1.00 13.68 H new ATOM 0 HG22 VAL A 33 -8.966 -3.317 -8.869 1.00 13.68 H new ATOM 0 HG23 VAL A 33 -10.177 -3.161 -10.164 1.00 13.68 H new ATOM 429 N GLY A 34 -8.763 -4.345 -12.362 1.00 13.56 N ATOM 430 CA GLY A 34 -9.120 -3.929 -13.707 1.00 13.65 C ATOM 431 C GLY A 34 -10.115 -2.790 -13.711 1.00 13.54 C ATOM 432 O GLY A 34 -10.527 -2.321 -14.770 1.00 13.85 O ATOM 0 H GLY A 34 -7.955 -3.867 -11.963 1.00 13.56 H new ATOM 0 HA2 GLY A 34 -8.220 -3.624 -14.241 1.00 13.65 H new ATOM 0 HA3 GLY A 34 -9.540 -4.777 -14.248 1.00 13.65 H new ATOM 436 N TYR A 35 -10.503 -2.349 -12.524 1.00 13.21 N ATOM 437 CA TYR A 35 -11.453 -1.258 -12.388 1.00 13.20 C ATOM 438 C TYR A 35 -10.743 0.081 -12.496 1.00 12.81 C ATOM 439 O TYR A 35 -9.680 0.279 -11.902 1.00 12.67 O ATOM 440 CB TYR A 35 -12.184 -1.354 -11.049 1.00 13.25 C ATOM 441 CG TYR A 35 -13.626 -1.772 -11.189 1.00 15.79 C ATOM 442 CD1 TYR A 35 -13.960 -3.079 -11.514 1.00 16.35 C ATOM 443 CD2 TYR A 35 -14.651 -0.856 -11.012 1.00 16.05 C ATOM 444 CE1 TYR A 35 -15.279 -3.462 -11.655 1.00 17.14 C ATOM 445 CE2 TYR A 35 -15.970 -1.229 -11.154 1.00 16.85 C ATOM 446 CZ TYR A 35 -16.280 -2.533 -11.476 1.00 15.43 C ATOM 447 OH TYR A 35 -17.597 -2.905 -11.627 1.00 18.28 O ATOM 0 H TYR A 35 -10.172 -2.732 -11.638 1.00 13.21 H new ATOM 0 HA TYR A 35 -12.182 -1.335 -13.195 1.00 13.20 H new ATOM 0 HB2 TYR A 35 -11.666 -2.069 -10.410 1.00 13.25 H new ATOM 0 HB3 TYR A 35 -12.140 -0.387 -10.548 1.00 13.25 H new ATOM 0 HD1 TYR A 35 -13.176 -3.808 -11.659 1.00 16.35 H new ATOM 0 HD2 TYR A 35 -14.412 0.166 -10.759 1.00 16.05 H new ATOM 0 HE1 TYR A 35 -15.524 -4.484 -11.904 1.00 17.14 H new ATOM 0 HE2 TYR A 35 -16.757 -0.503 -11.014 1.00 16.85 H new ATOM 0 HH TYR A 35 -18.105 -2.642 -10.831 1.00 18.28 H new ATOM 457 N GLN A 36 -11.326 0.987 -13.261 1.00 12.79 N ATOM 458 CA GLN A 36 -10.753 2.309 -13.445 1.00 12.57 C ATOM 459 C GLN A 36 -10.988 3.158 -12.202 1.00 11.54 C ATOM 460 O GLN A 36 -12.011 3.012 -11.531 1.00 11.22 O ATOM 461 CB GLN A 36 -11.365 2.986 -14.672 1.00 13.45 C ATOM 462 CG GLN A 36 -11.081 2.260 -15.977 1.00 14.56 C ATOM 463 CD GLN A 36 -9.601 2.199 -16.311 1.00 15.07 C ATOM 464 OE1 GLN A 36 -8.813 3.045 -15.881 1.00 15.22 O ATOM 465 NE2 GLN A 36 -9.214 1.206 -17.096 1.00 15.48 N ATOM 0 H GLN A 36 -12.198 0.831 -13.766 1.00 12.79 H new ATOM 0 HA GLN A 36 -9.679 2.207 -13.604 1.00 12.57 H new ATOM 0 HB2 GLN A 36 -12.444 3.059 -14.535 1.00 13.45 H new ATOM 0 HB3 GLN A 36 -10.983 4.004 -14.743 1.00 13.45 H new ATOM 0 HG2 GLN A 36 -11.476 1.246 -15.916 1.00 14.56 H new ATOM 0 HG3 GLN A 36 -11.611 2.760 -16.788 1.00 14.56 H new ATOM 0 HE21 GLN A 36 -9.896 0.526 -17.431 1.00 15.48 H new ATOM 0 HE22 GLN A 36 -8.234 1.121 -17.365 1.00 15.48 H new ATOM 474 N PRO A 37 -10.048 4.055 -11.873 1.00 11.14 N ATOM 475 CA PRO A 37 -10.162 4.923 -10.697 1.00 10.29 C ATOM 476 C PRO A 37 -11.436 5.765 -10.723 1.00 10.51 C ATOM 477 O PRO A 37 -12.059 6.008 -9.690 1.00 10.47 O ATOM 478 CB PRO A 37 -8.928 5.823 -10.791 1.00 10.16 C ATOM 479 CG PRO A 37 -7.964 5.070 -11.640 1.00 10.93 C ATOM 480 CD PRO A 37 -8.798 4.293 -12.617 1.00 11.63 C ATOM 0 HA PRO A 37 -10.215 4.348 -9.772 1.00 10.29 H new ATOM 0 HB2 PRO A 37 -9.176 6.787 -11.235 1.00 10.16 H new ATOM 0 HB3 PRO A 37 -8.511 6.025 -9.804 1.00 10.16 H new ATOM 0 HG2 PRO A 37 -7.286 5.749 -12.158 1.00 10.93 H new ATOM 0 HG3 PRO A 37 -7.348 4.404 -11.036 1.00 10.93 H new ATOM 0 HD2 PRO A 37 -8.975 4.856 -13.533 1.00 11.63 H new ATOM 0 HD3 PRO A 37 -8.316 3.359 -12.905 1.00 11.63 H new ATOM 488 N GLN A 38 -11.832 6.181 -11.917 1.00 10.92 N ATOM 489 CA GLN A 38 -13.027 6.994 -12.099 1.00 11.42 C ATOM 490 C GLN A 38 -14.300 6.192 -11.814 1.00 11.86 C ATOM 491 O GLN A 38 -15.371 6.766 -11.625 1.00 12.08 O ATOM 492 CB GLN A 38 -13.073 7.559 -13.522 1.00 12.31 C ATOM 493 CG GLN A 38 -11.862 8.411 -13.881 1.00 12.40 C ATOM 494 CD GLN A 38 -10.780 7.623 -14.600 1.00 12.97 C ATOM 495 OE1 GLN A 38 -10.642 6.415 -14.409 1.00 13.31 O ATOM 496 NE2 GLN A 38 -10.007 8.302 -15.431 1.00 13.23 N ATOM 0 H GLN A 38 -11.338 5.966 -12.783 1.00 10.92 H new ATOM 0 HA GLN A 38 -12.980 7.817 -11.386 1.00 11.42 H new ATOM 0 HB2 GLN A 38 -13.148 6.733 -14.229 1.00 12.31 H new ATOM 0 HB3 GLN A 38 -13.976 8.159 -13.636 1.00 12.31 H new ATOM 0 HG2 GLN A 38 -12.181 9.240 -14.512 1.00 12.40 H new ATOM 0 HG3 GLN A 38 -11.446 8.844 -12.972 1.00 12.40 H new ATOM 0 HE21 GLN A 38 -10.154 9.303 -15.562 1.00 13.23 H new ATOM 0 HE22 GLN A 38 -9.264 7.825 -15.941 1.00 13.23 H new ATOM 505 N GLU A 39 -14.181 4.869 -11.778 1.00 12.10 N ATOM 506 CA GLU A 39 -15.330 4.008 -11.516 1.00 12.60 C ATOM 507 C GLU A 39 -15.621 3.925 -10.024 1.00 12.14 C ATOM 508 O GLU A 39 -16.772 3.792 -9.614 1.00 12.03 O ATOM 509 CB GLU A 39 -15.089 2.602 -12.061 1.00 13.06 C ATOM 510 CG GLU A 39 -14.918 2.545 -13.566 1.00 14.17 C ATOM 511 CD GLU A 39 -14.989 1.130 -14.093 1.00 16.63 C ATOM 512 OE1 GLU A 39 -16.117 0.616 -14.262 1.00 17.34 O ATOM 513 OE2 GLU A 39 -13.925 0.523 -14.329 1.00 16.43 O ATOM 0 H GLU A 39 -13.304 4.370 -11.926 1.00 12.10 H new ATOM 0 HA GLU A 39 -16.190 4.447 -12.022 1.00 12.60 H new ATOM 0 HB2 GLU A 39 -14.198 2.188 -11.589 1.00 13.06 H new ATOM 0 HB3 GLU A 39 -15.926 1.965 -11.776 1.00 13.06 H new ATOM 0 HG2 GLU A 39 -15.692 3.148 -14.041 1.00 14.17 H new ATOM 0 HG3 GLU A 39 -13.959 2.985 -13.838 1.00 14.17 H new ATOM 520 N LEU A 40 -14.570 4.002 -9.219 1.00 12.04 N ATOM 521 CA LEU A 40 -14.712 3.925 -7.769 1.00 11.75 C ATOM 522 C LEU A 40 -15.108 5.281 -7.187 1.00 11.42 C ATOM 523 O LEU A 40 -15.708 5.359 -6.114 1.00 11.04 O ATOM 524 CB LEU A 40 -13.405 3.447 -7.123 1.00 11.89 C ATOM 525 CG LEU A 40 -13.113 1.944 -7.223 1.00 12.41 C ATOM 526 CD1 LEU A 40 -14.344 1.127 -6.860 1.00 12.70 C ATOM 527 CD2 LEU A 40 -12.612 1.576 -8.613 1.00 13.25 C ATOM 0 H LEU A 40 -13.610 4.118 -9.544 1.00 12.04 H new ATOM 0 HA LEU A 40 -15.501 3.206 -7.550 1.00 11.75 H new ATOM 0 HB2 LEU A 40 -12.578 3.989 -7.582 1.00 11.89 H new ATOM 0 HB3 LEU A 40 -13.422 3.724 -6.069 1.00 11.89 H new ATOM 0 HG LEU A 40 -12.325 1.708 -6.507 1.00 12.41 H new ATOM 0 HD11 LEU A 40 -14.112 0.065 -6.938 1.00 12.70 H new ATOM 0 HD12 LEU A 40 -14.646 1.358 -5.838 1.00 12.70 H new ATOM 0 HD13 LEU A 40 -15.158 1.372 -7.543 1.00 12.70 H new ATOM 0 HD21 LEU A 40 -12.413 0.505 -8.656 1.00 13.25 H new ATOM 0 HD22 LEU A 40 -13.369 1.834 -9.353 1.00 13.25 H new ATOM 0 HD23 LEU A 40 -11.695 2.125 -8.826 1.00 13.25 H new ATOM 539 N LEU A 41 -14.774 6.345 -7.905 1.00 11.77 N ATOM 540 CA LEU A 41 -15.079 7.701 -7.461 1.00 11.76 C ATOM 541 C LEU A 41 -16.583 7.925 -7.350 1.00 12.25 C ATOM 542 O LEU A 41 -17.311 7.851 -8.343 1.00 12.72 O ATOM 543 CB LEU A 41 -14.469 8.723 -8.420 1.00 12.25 C ATOM 544 CG LEU A 41 -12.942 8.781 -8.416 1.00 12.23 C ATOM 545 CD1 LEU A 41 -12.445 9.769 -9.456 1.00 12.99 C ATOM 546 CD2 LEU A 41 -12.424 9.152 -7.033 1.00 11.79 C ATOM 0 H LEU A 41 -14.290 6.296 -8.801 1.00 11.77 H new ATOM 0 HA LEU A 41 -14.643 7.832 -6.471 1.00 11.76 H new ATOM 0 HB2 LEU A 41 -14.806 8.496 -9.431 1.00 12.25 H new ATOM 0 HB3 LEU A 41 -14.856 9.711 -8.169 1.00 12.25 H new ATOM 0 HG LEU A 41 -12.559 7.793 -8.671 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -11.356 9.798 -9.439 1.00 12.99 H new ATOM 0 HD12 LEU A 41 -12.785 9.459 -10.444 1.00 12.99 H new ATOM 0 HD13 LEU A 41 -12.837 10.761 -9.232 1.00 12.99 H new ATOM 0 HD21 LEU A 41 -11.335 9.188 -7.050 1.00 11.79 H new ATOM 0 HD22 LEU A 41 -12.815 10.129 -6.748 1.00 11.79 H new ATOM 0 HD23 LEU A 41 -12.751 8.405 -6.310 1.00 11.79 H new ATOM 558 N GLY A 42 -17.041 8.188 -6.133 1.00 12.24 N ATOM 559 CA GLY A 42 -18.453 8.427 -5.900 1.00 12.82 C ATOM 560 C GLY A 42 -19.224 7.152 -5.624 1.00 13.07 C ATOM 561 O GLY A 42 -20.414 7.193 -5.319 1.00 13.39 O ATOM 0 H GLY A 42 -16.457 8.240 -5.299 1.00 12.24 H new ATOM 0 HA2 GLY A 42 -18.568 9.106 -5.055 1.00 12.82 H new ATOM 0 HA3 GLY A 42 -18.881 8.925 -6.770 1.00 12.82 H new ATOM 565 N LYS A 43 -18.546 6.019 -5.718 1.00 13.04 N ATOM 566 CA LYS A 43 -19.177 4.732 -5.480 1.00 13.33 C ATOM 567 C LYS A 43 -18.705 4.145 -4.160 1.00 12.82 C ATOM 568 O LYS A 43 -17.680 4.564 -3.617 1.00 13.01 O ATOM 569 CB LYS A 43 -18.851 3.763 -6.615 1.00 13.98 C ATOM 570 CG LYS A 43 -19.602 4.042 -7.906 1.00 15.04 C ATOM 571 CD LYS A 43 -20.932 3.308 -7.954 1.00 15.77 C ATOM 572 CE LYS A 43 -22.065 4.170 -7.429 1.00 16.37 C ATOM 573 NZ LYS A 43 -23.301 3.380 -7.194 1.00 16.87 N ATOM 0 H LYS A 43 -17.556 5.965 -5.958 1.00 13.04 H new ATOM 0 HA LYS A 43 -20.256 4.884 -5.437 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -17.780 3.802 -6.815 1.00 13.98 H new ATOM 0 HB3 LYS A 43 -19.078 2.748 -6.288 1.00 13.98 H new ATOM 0 HG2 LYS A 43 -19.775 5.114 -8.002 1.00 15.04 H new ATOM 0 HG3 LYS A 43 -18.989 3.740 -8.756 1.00 15.04 H new ATOM 0 HD2 LYS A 43 -21.147 3.009 -8.980 1.00 15.77 H new ATOM 0 HD3 LYS A 43 -20.865 2.394 -7.363 1.00 15.77 H new ATOM 0 HE2 LYS A 43 -21.757 4.647 -6.499 1.00 16.37 H new ATOM 0 HE3 LYS A 43 -22.274 4.968 -8.142 1.00 16.37 H new ATOM 0 HZ1 LYS A 43 -23.877 3.845 -6.464 1.00 16.87 H new ATOM 0 HZ2 LYS A 43 -23.846 3.318 -8.077 1.00 16.87 H new ATOM 0 HZ3 LYS A 43 -23.046 2.423 -6.876 1.00 16.87 H new ATOM 587 N ASN A 44 -19.456 3.183 -3.647 1.00 12.28 N ATOM 588 CA ASN A 44 -19.107 2.523 -2.399 1.00 11.87 C ATOM 589 C ASN A 44 -18.350 1.240 -2.697 1.00 11.67 C ATOM 590 O ASN A 44 -18.706 0.504 -3.615 1.00 11.82 O ATOM 591 CB ASN A 44 -20.360 2.185 -1.582 1.00 11.97 C ATOM 592 CG ASN A 44 -21.155 3.407 -1.163 1.00 12.28 C ATOM 593 OD1 ASN A 44 -21.992 3.904 -1.915 1.00 12.50 O ATOM 594 ND2 ASN A 44 -20.922 3.889 0.048 1.00 12.46 N ATOM 0 H ASN A 44 -20.315 2.841 -4.078 1.00 12.28 H new ATOM 0 HA ASN A 44 -18.485 3.204 -1.818 1.00 11.87 H new ATOM 0 HB2 ASN A 44 -21.001 1.528 -2.169 1.00 11.97 H new ATOM 0 HB3 ASN A 44 -20.065 1.630 -0.691 1.00 11.97 H new ATOM 0 HD21 ASN A 44 -21.444 4.698 0.384 1.00 12.46 H new ATOM 0 HD22 ASN A 44 -20.220 3.451 0.645 1.00 12.46 H new ATOM 601 N ILE A 45 -17.315 0.967 -1.919 1.00 11.52 N ATOM 602 CA ILE A 45 -16.518 -0.242 -2.106 1.00 11.55 C ATOM 603 C ILE A 45 -17.380 -1.493 -1.901 1.00 11.53 C ATOM 604 O ILE A 45 -17.158 -2.528 -2.533 1.00 11.49 O ATOM 605 CB ILE A 45 -15.302 -0.265 -1.144 1.00 11.20 C ATOM 606 CG1 ILE A 45 -14.565 -1.609 -1.216 1.00 11.40 C ATOM 607 CG2 ILE A 45 -15.744 0.034 0.281 1.00 11.02 C ATOM 608 CD1 ILE A 45 -13.217 -1.603 -0.526 1.00 11.72 C ATOM 0 H ILE A 45 -17.005 1.563 -1.152 1.00 11.52 H new ATOM 0 HA ILE A 45 -16.142 -0.239 -3.129 1.00 11.55 H new ATOM 0 HB ILE A 45 -14.606 0.513 -1.459 1.00 11.20 H new ATOM 0 HG12 ILE A 45 -15.190 -2.380 -0.766 1.00 11.40 H new ATOM 0 HG13 ILE A 45 -14.426 -1.881 -2.262 1.00 11.40 H new ATOM 0 HG21 ILE A 45 -14.878 0.014 0.942 1.00 11.02 H new ATOM 0 HG22 ILE A 45 -16.207 1.020 0.319 1.00 11.02 H new ATOM 0 HG23 ILE A 45 -16.465 -0.717 0.604 1.00 11.02 H new ATOM 0 HD11 ILE A 45 -12.756 -2.587 -0.619 1.00 11.72 H new ATOM 0 HD12 ILE A 45 -12.574 -0.856 -0.991 1.00 11.72 H new ATOM 0 HD13 ILE A 45 -13.349 -1.362 0.529 1.00 11.72 H new ATOM 620 N VAL A 46 -18.390 -1.376 -1.042 1.00 11.77 N ATOM 621 CA VAL A 46 -19.292 -2.484 -0.750 1.00 11.99 C ATOM 622 C VAL A 46 -20.119 -2.868 -1.984 1.00 12.29 C ATOM 623 O VAL A 46 -20.594 -3.999 -2.098 1.00 12.37 O ATOM 624 CB VAL A 46 -20.236 -2.131 0.426 1.00 12.37 C ATOM 625 CG1 VAL A 46 -21.347 -1.191 -0.016 1.00 12.89 C ATOM 626 CG2 VAL A 46 -20.816 -3.386 1.050 1.00 12.52 C ATOM 0 H VAL A 46 -18.604 -0.518 -0.534 1.00 11.77 H new ATOM 0 HA VAL A 46 -18.678 -3.339 -0.466 1.00 11.99 H new ATOM 0 HB VAL A 46 -19.642 -1.615 1.180 1.00 12.37 H new ATOM 0 HG11 VAL A 46 -21.991 -0.964 0.834 1.00 12.89 H new ATOM 0 HG12 VAL A 46 -20.912 -0.268 -0.399 1.00 12.89 H new ATOM 0 HG13 VAL A 46 -21.936 -1.667 -0.800 1.00 12.89 H new ATOM 0 HG21 VAL A 46 -21.475 -3.112 1.873 1.00 12.52 H new ATOM 0 HG22 VAL A 46 -21.383 -3.937 0.299 1.00 12.52 H new ATOM 0 HG23 VAL A 46 -20.007 -4.012 1.426 1.00 12.52 H new ATOM 636 N GLU A 47 -20.253 -1.931 -2.921 1.00 12.64 N ATOM 637 CA GLU A 47 -21.027 -2.161 -4.138 1.00 13.14 C ATOM 638 C GLU A 47 -20.289 -3.079 -5.106 1.00 12.83 C ATOM 639 O GLU A 47 -20.887 -3.640 -6.027 1.00 12.91 O ATOM 640 CB GLU A 47 -21.331 -0.835 -4.837 1.00 14.14 C ATOM 641 CG GLU A 47 -22.150 0.131 -4.000 1.00 14.73 C ATOM 642 CD GLU A 47 -22.544 1.369 -4.777 1.00 15.67 C ATOM 643 OE1 GLU A 47 -23.557 1.320 -5.503 1.00 16.53 O ATOM 644 OE2 GLU A 47 -21.841 2.393 -4.680 1.00 15.65 O ATOM 0 H GLU A 47 -19.834 -1.003 -2.860 1.00 12.64 H new ATOM 0 HA GLU A 47 -21.959 -2.644 -3.842 1.00 13.14 H new ATOM 0 HB2 GLU A 47 -20.391 -0.356 -5.110 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -21.866 -1.039 -5.765 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -23.048 -0.372 -3.642 1.00 14.73 H new ATOM 0 HG3 GLU A 47 -21.576 0.423 -3.120 1.00 14.73 H new ATOM 651 N PHE A 48 -18.990 -3.225 -4.907 1.00 12.62 N ATOM 652 CA PHE A 48 -18.183 -4.071 -5.773 1.00 12.47 C ATOM 653 C PHE A 48 -17.574 -5.212 -4.973 1.00 11.91 C ATOM 654 O PHE A 48 -16.545 -5.774 -5.347 1.00 11.81 O ATOM 655 CB PHE A 48 -17.086 -3.248 -6.450 1.00 12.62 C ATOM 656 CG PHE A 48 -17.600 -2.013 -7.132 1.00 14.11 C ATOM 657 CD1 PHE A 48 -18.263 -2.099 -8.345 1.00 14.39 C ATOM 658 CD2 PHE A 48 -17.427 -0.768 -6.554 1.00 14.61 C ATOM 659 CE1 PHE A 48 -18.742 -0.963 -8.970 1.00 15.13 C ATOM 660 CE2 PHE A 48 -17.903 0.371 -7.174 1.00 15.34 C ATOM 661 CZ PHE A 48 -18.563 0.274 -8.383 1.00 14.85 C ATOM 0 H PHE A 48 -18.472 -2.770 -4.155 1.00 12.62 H new ATOM 0 HA PHE A 48 -18.825 -4.492 -6.547 1.00 12.47 H new ATOM 0 HB2 PHE A 48 -16.346 -2.960 -5.704 1.00 12.62 H new ATOM 0 HB3 PHE A 48 -16.574 -3.872 -7.183 1.00 12.62 H new ATOM 0 HD1 PHE A 48 -18.407 -3.064 -8.808 1.00 14.39 H new ATOM 0 HD2 PHE A 48 -16.914 -0.686 -5.607 1.00 14.61 H new ATOM 0 HE1 PHE A 48 -19.256 -1.043 -9.917 1.00 15.13 H new ATOM 0 HE2 PHE A 48 -17.759 1.337 -6.713 1.00 15.34 H new ATOM 0 HZ PHE A 48 -18.938 1.163 -8.868 1.00 14.85 H new ATOM 671 N CYS A 49 -18.223 -5.549 -3.870 1.00 11.77 N ATOM 672 CA CYS A 49 -17.761 -6.621 -3.009 1.00 11.49 C ATOM 673 C CYS A 49 -18.732 -7.793 -3.057 1.00 11.83 C ATOM 674 O CYS A 49 -19.906 -7.625 -3.402 1.00 11.97 O ATOM 675 CB CYS A 49 -17.614 -6.113 -1.569 1.00 11.25 C ATOM 676 SG CYS A 49 -16.976 -7.340 -0.404 1.00 11.37 S ATOM 0 H CYS A 49 -19.076 -5.091 -3.550 1.00 11.77 H new ATOM 0 HA CYS A 49 -16.788 -6.961 -3.364 1.00 11.49 H new ATOM 0 HB2 CYS A 49 -16.949 -5.249 -1.568 1.00 11.25 H new ATOM 0 HB3 CYS A 49 -18.586 -5.768 -1.218 1.00 11.25 H new ATOM 0 HG CYS A 49 -15.680 -7.390 -0.493 1.00 11.37 H new ATOM 682 N HIS A 50 -18.222 -8.981 -2.748 1.00 12.10 N ATOM 683 CA HIS A 50 -19.027 -10.198 -2.721 1.00 12.66 C ATOM 684 C HIS A 50 -20.197 -10.012 -1.754 1.00 12.75 C ATOM 685 O HIS A 50 -19.982 -9.718 -0.584 1.00 12.20 O ATOM 686 CB HIS A 50 -18.146 -11.375 -2.280 1.00 13.24 C ATOM 687 CG HIS A 50 -18.679 -12.730 -2.634 1.00 13.78 C ATOM 688 ND1 HIS A 50 -18.581 -13.809 -1.788 1.00 14.15 N ATOM 689 CD2 HIS A 50 -19.278 -13.190 -3.757 1.00 14.13 C ATOM 690 CE1 HIS A 50 -19.092 -14.874 -2.371 1.00 14.67 C ATOM 691 NE2 HIS A 50 -19.525 -14.528 -3.567 1.00 14.65 N ATOM 0 H HIS A 50 -17.241 -9.127 -2.510 1.00 12.10 H new ATOM 0 HA HIS A 50 -19.424 -10.406 -3.714 1.00 12.66 H new ATOM 0 HB2 HIS A 50 -17.160 -11.260 -2.729 1.00 13.24 H new ATOM 0 HB3 HIS A 50 -18.012 -11.324 -1.199 1.00 13.24 H new ATOM 0 HD1 HIS A 50 -18.175 -13.788 -0.853 1.00 14.15 H new ATOM 0 HD2 HIS A 50 -19.517 -12.613 -4.638 1.00 14.13 H new ATOM 0 HE1 HIS A 50 -19.147 -15.863 -1.942 1.00 14.67 H new ATOM 700 N PRO A 51 -21.445 -10.169 -2.238 1.00 13.57 N ATOM 701 CA PRO A 51 -22.661 -9.993 -1.423 1.00 13.93 C ATOM 702 C PRO A 51 -22.597 -10.665 -0.049 1.00 14.09 C ATOM 703 O PRO A 51 -22.889 -10.039 0.970 1.00 14.26 O ATOM 704 CB PRO A 51 -23.743 -10.639 -2.283 1.00 14.93 C ATOM 705 CG PRO A 51 -23.278 -10.424 -3.679 1.00 15.15 C ATOM 706 CD PRO A 51 -21.776 -10.521 -3.634 1.00 14.35 C ATOM 0 HA PRO A 51 -22.829 -8.942 -1.189 1.00 13.93 H new ATOM 0 HB2 PRO A 51 -23.850 -11.700 -2.058 1.00 14.93 H new ATOM 0 HB3 PRO A 51 -24.716 -10.178 -2.112 1.00 14.93 H new ATOM 0 HG2 PRO A 51 -23.698 -11.173 -4.350 1.00 15.15 H new ATOM 0 HG3 PRO A 51 -23.595 -9.450 -4.051 1.00 15.15 H new ATOM 0 HD2 PRO A 51 -21.432 -11.524 -3.887 1.00 14.35 H new ATOM 0 HD3 PRO A 51 -21.309 -9.836 -4.341 1.00 14.35 H new ATOM 714 N GLU A 52 -22.199 -11.929 -0.023 1.00 14.17 N ATOM 715 CA GLU A 52 -22.114 -12.686 1.224 1.00 14.44 C ATOM 716 C GLU A 52 -20.893 -12.296 2.057 1.00 13.87 C ATOM 717 O GLU A 52 -20.666 -12.852 3.129 1.00 14.17 O ATOM 718 CB GLU A 52 -22.080 -14.184 0.929 1.00 15.45 C ATOM 719 CG GLU A 52 -23.112 -14.619 -0.097 1.00 16.21 C ATOM 720 CD GLU A 52 -22.531 -14.726 -1.488 1.00 16.09 C ATOM 721 OE1 GLU A 52 -22.211 -13.678 -2.091 1.00 15.73 O ATOM 722 OE2 GLU A 52 -22.378 -15.861 -1.979 1.00 16.47 O ATOM 0 H GLU A 52 -21.928 -12.456 -0.853 1.00 14.17 H new ATOM 0 HA GLU A 52 -23.002 -12.444 1.808 1.00 14.44 H new ATOM 0 HB2 GLU A 52 -21.086 -14.454 0.571 1.00 15.45 H new ATOM 0 HB3 GLU A 52 -22.246 -14.733 1.856 1.00 15.45 H new ATOM 0 HG2 GLU A 52 -23.527 -15.583 0.196 1.00 16.21 H new ATOM 0 HG3 GLU A 52 -23.936 -13.906 -0.104 1.00 16.21 H new ATOM 729 N ASP A 53 -20.111 -11.346 1.570 1.00 13.16 N ATOM 730 CA ASP A 53 -18.923 -10.894 2.287 1.00 12.70 C ATOM 731 C ASP A 53 -18.978 -9.387 2.496 1.00 12.63 C ATOM 732 O ASP A 53 -18.018 -8.773 2.962 1.00 12.77 O ATOM 733 CB ASP A 53 -17.649 -11.275 1.524 1.00 12.21 C ATOM 734 CG ASP A 53 -17.351 -12.761 1.575 1.00 12.39 C ATOM 735 OD1 ASP A 53 -16.996 -13.270 2.658 1.00 11.90 O ATOM 736 OD2 ASP A 53 -17.449 -13.429 0.523 1.00 13.14 O ATOM 0 H ASP A 53 -20.275 -10.871 0.682 1.00 13.16 H new ATOM 0 HA ASP A 53 -18.901 -11.387 3.259 1.00 12.70 H new ATOM 0 HB2 ASP A 53 -17.749 -10.965 0.484 1.00 12.21 H new ATOM 0 HB3 ASP A 53 -16.804 -10.726 1.941 1.00 12.21 H new ATOM 741 N GLN A 54 -20.118 -8.798 2.156 1.00 12.56 N ATOM 742 CA GLN A 54 -20.313 -7.363 2.300 1.00 12.69 C ATOM 743 C GLN A 54 -20.310 -6.966 3.774 1.00 12.06 C ATOM 744 O GLN A 54 -19.669 -5.985 4.160 1.00 11.70 O ATOM 745 CB GLN A 54 -21.614 -6.936 1.617 1.00 13.60 C ATOM 746 CG GLN A 54 -21.453 -6.695 0.122 1.00 14.35 C ATOM 747 CD GLN A 54 -22.773 -6.508 -0.603 1.00 15.27 C ATOM 748 OE1 GLN A 54 -23.776 -7.148 -0.281 1.00 15.83 O ATOM 749 NE2 GLN A 54 -22.782 -5.620 -1.582 1.00 15.52 N ATOM 0 H GLN A 54 -20.924 -9.296 1.777 1.00 12.56 H new ATOM 0 HA GLN A 54 -19.486 -6.846 1.813 1.00 12.69 H new ATOM 0 HB2 GLN A 54 -22.370 -7.705 1.776 1.00 13.60 H new ATOM 0 HB3 GLN A 54 -21.983 -6.025 2.088 1.00 13.60 H new ATOM 0 HG2 GLN A 54 -20.834 -5.811 -0.032 1.00 14.35 H new ATOM 0 HG3 GLN A 54 -20.921 -7.538 -0.319 1.00 14.35 H new ATOM 0 HE21 GLN A 54 -21.930 -5.111 -1.817 1.00 15.52 H new ATOM 0 HE22 GLN A 54 -23.641 -5.443 -2.102 1.00 15.52 H new ATOM 758 N GLN A 55 -21.007 -7.746 4.596 1.00 12.07 N ATOM 759 CA GLN A 55 -21.064 -7.487 6.031 1.00 11.64 C ATOM 760 C GLN A 55 -19.668 -7.602 6.636 1.00 11.18 C ATOM 761 O GLN A 55 -19.295 -6.826 7.515 1.00 11.47 O ATOM 762 CB GLN A 55 -22.026 -8.464 6.718 1.00 12.30 C ATOM 763 CG GLN A 55 -21.946 -8.445 8.239 1.00 13.09 C ATOM 764 CD GLN A 55 -22.369 -7.118 8.841 1.00 13.56 C ATOM 765 OE1 GLN A 55 -23.209 -6.408 8.290 1.00 13.71 O ATOM 766 NE2 GLN A 55 -21.790 -6.779 9.982 1.00 13.94 N ATOM 0 H GLN A 55 -21.539 -8.562 4.293 1.00 12.07 H new ATOM 0 HA GLN A 55 -21.436 -6.475 6.189 1.00 11.64 H new ATOM 0 HB2 GLN A 55 -23.046 -8.227 6.415 1.00 12.30 H new ATOM 0 HB3 GLN A 55 -21.815 -9.474 6.366 1.00 12.30 H new ATOM 0 HG2 GLN A 55 -22.578 -9.237 8.640 1.00 13.09 H new ATOM 0 HG3 GLN A 55 -20.924 -8.667 8.546 1.00 13.09 H new ATOM 0 HE21 GLN A 55 -21.098 -7.397 10.406 1.00 13.94 H new ATOM 0 HE22 GLN A 55 -22.036 -5.900 10.437 1.00 13.94 H new ATOM 775 N LEU A 56 -18.901 -8.571 6.146 1.00 10.67 N ATOM 776 CA LEU A 56 -17.535 -8.790 6.610 1.00 10.41 C ATOM 777 C LEU A 56 -16.705 -7.526 6.417 1.00 9.74 C ATOM 778 O LEU A 56 -15.900 -7.153 7.274 1.00 10.08 O ATOM 779 CB LEU A 56 -16.909 -9.959 5.844 1.00 10.70 C ATOM 780 CG LEU A 56 -15.414 -10.184 6.089 1.00 11.52 C ATOM 781 CD1 LEU A 56 -15.179 -10.810 7.455 1.00 12.11 C ATOM 782 CD2 LEU A 56 -14.823 -11.057 4.994 1.00 11.94 C ATOM 0 H LEU A 56 -19.205 -9.222 5.422 1.00 10.67 H new ATOM 0 HA LEU A 56 -17.554 -9.033 7.672 1.00 10.41 H new ATOM 0 HB2 LEU A 56 -17.444 -10.871 6.108 1.00 10.70 H new ATOM 0 HB3 LEU A 56 -17.064 -9.796 4.777 1.00 10.70 H new ATOM 0 HG LEU A 56 -14.914 -9.215 6.068 1.00 11.52 H new ATOM 0 HD11 LEU A 56 -14.110 -10.961 7.607 1.00 12.11 H new ATOM 0 HD12 LEU A 56 -15.566 -10.148 8.230 1.00 12.11 H new ATOM 0 HD13 LEU A 56 -15.692 -11.770 7.508 1.00 12.11 H new ATOM 0 HD21 LEU A 56 -13.760 -11.207 5.183 1.00 11.94 H new ATOM 0 HD22 LEU A 56 -15.330 -12.022 4.985 1.00 11.94 H new ATOM 0 HD23 LEU A 56 -14.955 -10.569 4.028 1.00 11.94 H new ATOM 794 N LEU A 57 -16.918 -6.863 5.290 1.00 9.01 N ATOM 795 CA LEU A 57 -16.207 -5.636 4.984 1.00 8.57 C ATOM 796 C LEU A 57 -16.671 -4.517 5.906 1.00 8.01 C ATOM 797 O LEU A 57 -15.855 -3.831 6.517 1.00 7.76 O ATOM 798 CB LEU A 57 -16.430 -5.230 3.525 1.00 8.96 C ATOM 799 CG LEU A 57 -15.168 -5.162 2.667 1.00 9.22 C ATOM 800 CD1 LEU A 57 -15.478 -4.518 1.326 1.00 9.38 C ATOM 801 CD2 LEU A 57 -14.068 -4.395 3.387 1.00 9.71 C ATOM 0 H LEU A 57 -17.580 -7.157 4.572 1.00 9.01 H new ATOM 0 HA LEU A 57 -15.142 -5.811 5.139 1.00 8.57 H new ATOM 0 HB2 LEU A 57 -17.122 -5.939 3.069 1.00 8.96 H new ATOM 0 HB3 LEU A 57 -16.915 -4.254 3.507 1.00 8.96 H new ATOM 0 HG LEU A 57 -14.814 -6.178 2.492 1.00 9.22 H new ATOM 0 HD11 LEU A 57 -14.570 -4.476 0.724 1.00 9.38 H new ATOM 0 HD12 LEU A 57 -16.232 -5.108 0.805 1.00 9.38 H new ATOM 0 HD13 LEU A 57 -15.855 -3.508 1.486 1.00 9.38 H new ATOM 0 HD21 LEU A 57 -13.178 -4.359 2.758 1.00 9.71 H new ATOM 0 HD22 LEU A 57 -14.408 -3.380 3.594 1.00 9.71 H new ATOM 0 HD23 LEU A 57 -13.829 -4.896 4.325 1.00 9.71 H new ATOM 813 N ARG A 58 -17.986 -4.360 6.015 1.00 8.00 N ATOM 814 CA ARG A 58 -18.579 -3.324 6.855 1.00 7.77 C ATOM 815 C ARG A 58 -18.143 -3.470 8.310 1.00 7.79 C ATOM 816 O ARG A 58 -17.717 -2.500 8.936 1.00 7.99 O ATOM 817 CB ARG A 58 -20.104 -3.380 6.755 1.00 8.25 C ATOM 818 CG ARG A 58 -20.819 -2.376 7.645 1.00 8.49 C ATOM 819 CD ARG A 58 -22.321 -2.462 7.466 1.00 9.14 C ATOM 820 NE ARG A 58 -23.038 -1.666 8.460 1.00 9.67 N ATOM 821 CZ ARG A 58 -24.339 -1.791 8.708 1.00 10.46 C ATOM 822 NH1 ARG A 58 -25.060 -2.680 8.037 1.00 10.80 N ATOM 823 NH2 ARG A 58 -24.915 -1.027 9.627 1.00 11.06 N ATOM 0 H ARG A 58 -18.667 -4.942 5.528 1.00 8.00 H new ATOM 0 HA ARG A 58 -18.228 -2.356 6.496 1.00 7.77 H new ATOM 0 HB2 ARG A 58 -20.397 -3.205 5.720 1.00 8.25 H new ATOM 0 HB3 ARG A 58 -20.438 -4.384 7.016 1.00 8.25 H new ATOM 0 HG2 ARG A 58 -20.563 -2.562 8.688 1.00 8.49 H new ATOM 0 HG3 ARG A 58 -20.478 -1.368 7.408 1.00 8.49 H new ATOM 0 HD2 ARG A 58 -22.587 -2.119 6.466 1.00 9.14 H new ATOM 0 HD3 ARG A 58 -22.636 -3.503 7.540 1.00 9.14 H new ATOM 0 HE ARG A 58 -22.511 -0.975 8.994 1.00 9.67 H new ATOM 0 HH11 ARG A 58 -24.617 -3.268 7.331 1.00 10.80 H new ATOM 0 HH12 ARG A 58 -26.058 -2.776 8.227 1.00 10.80 H new ATOM 0 HH21 ARG A 58 -24.360 -0.344 10.143 1.00 11.06 H new ATOM 0 HH22 ARG A 58 -25.913 -1.123 9.817 1.00 11.06 H new ATOM 837 N ASP A 59 -18.244 -4.685 8.840 1.00 7.90 N ATOM 838 CA ASP A 59 -17.857 -4.960 10.223 1.00 8.29 C ATOM 839 C ASP A 59 -16.409 -4.557 10.470 1.00 8.20 C ATOM 840 O ASP A 59 -16.091 -3.912 11.470 1.00 8.39 O ATOM 841 CB ASP A 59 -18.045 -6.444 10.546 1.00 8.86 C ATOM 842 CG ASP A 59 -17.514 -6.817 11.917 1.00 9.31 C ATOM 843 OD1 ASP A 59 -17.999 -6.256 12.921 1.00 9.71 O ATOM 844 OD2 ASP A 59 -16.614 -7.680 11.996 1.00 9.46 O ATOM 0 H ASP A 59 -18.592 -5.498 8.332 1.00 7.90 H new ATOM 0 HA ASP A 59 -18.500 -4.370 10.876 1.00 8.29 H new ATOM 0 HB2 ASP A 59 -19.105 -6.692 10.492 1.00 8.86 H new ATOM 0 HB3 ASP A 59 -17.538 -7.043 9.789 1.00 8.86 H new ATOM 849 N SER A 60 -15.538 -4.920 9.540 1.00 8.16 N ATOM 850 CA SER A 60 -14.124 -4.597 9.650 1.00 8.37 C ATOM 851 C SER A 60 -13.888 -3.098 9.460 1.00 8.73 C ATOM 852 O SER A 60 -12.968 -2.529 10.048 1.00 9.52 O ATOM 853 CB SER A 60 -13.329 -5.405 8.629 1.00 8.66 C ATOM 854 OG SER A 60 -13.630 -6.789 8.749 1.00 8.89 O ATOM 0 H SER A 60 -15.787 -5.440 8.699 1.00 8.16 H new ATOM 0 HA SER A 60 -13.782 -4.860 10.651 1.00 8.37 H new ATOM 0 HB2 SER A 60 -13.564 -5.061 7.622 1.00 8.66 H new ATOM 0 HB3 SER A 60 -12.262 -5.244 8.780 1.00 8.66 H new ATOM 0 HG SER A 60 -14.434 -6.995 8.227 1.00 8.89 H new ATOM 860 N PHE A 61 -14.725 -2.465 8.648 1.00 8.33 N ATOM 861 CA PHE A 61 -14.614 -1.034 8.407 1.00 8.80 C ATOM 862 C PHE A 61 -14.896 -0.266 9.689 1.00 8.83 C ATOM 863 O PHE A 61 -14.114 0.591 10.093 1.00 9.18 O ATOM 864 CB PHE A 61 -15.579 -0.587 7.306 1.00 9.15 C ATOM 865 CG PHE A 61 -14.997 -0.680 5.925 1.00 9.81 C ATOM 866 CD1 PHE A 61 -13.626 -0.630 5.729 1.00 10.30 C ATOM 867 CD2 PHE A 61 -15.822 -0.811 4.823 1.00 10.14 C ATOM 868 CE1 PHE A 61 -13.090 -0.711 4.458 1.00 11.11 C ATOM 869 CE2 PHE A 61 -15.293 -0.891 3.551 1.00 10.92 C ATOM 870 CZ PHE A 61 -13.925 -0.840 3.367 1.00 11.40 C ATOM 0 H PHE A 61 -15.487 -2.920 8.146 1.00 8.33 H new ATOM 0 HA PHE A 61 -13.597 -0.822 8.077 1.00 8.80 H new ATOM 0 HB2 PHE A 61 -16.480 -1.198 7.354 1.00 9.15 H new ATOM 0 HB3 PHE A 61 -15.882 0.443 7.495 1.00 9.15 H new ATOM 0 HD1 PHE A 61 -12.969 -0.527 6.580 1.00 10.30 H new ATOM 0 HD2 PHE A 61 -16.893 -0.851 4.959 1.00 10.14 H new ATOM 0 HE1 PHE A 61 -12.020 -0.673 4.319 1.00 11.11 H new ATOM 0 HE2 PHE A 61 -15.949 -0.994 2.699 1.00 10.92 H new ATOM 0 HZ PHE A 61 -13.510 -0.901 2.372 1.00 11.40 H new ATOM 880 N GLN A 62 -16.003 -0.595 10.341 1.00 8.73 N ATOM 881 CA GLN A 62 -16.367 0.062 11.589 1.00 9.08 C ATOM 882 C GLN A 62 -15.331 -0.263 12.658 1.00 9.26 C ATOM 883 O GLN A 62 -15.064 0.538 13.557 1.00 9.50 O ATOM 884 CB GLN A 62 -17.756 -0.382 12.055 1.00 9.51 C ATOM 885 CG GLN A 62 -18.831 -0.296 10.978 1.00 9.32 C ATOM 886 CD GLN A 62 -18.953 1.087 10.363 1.00 9.53 C ATOM 887 OE1 GLN A 62 -18.715 2.118 11.158 1.00 9.42 O flip ATOM 888 NE2 GLN A 62 -19.275 1.226 9.183 1.00 10.04 N flip ATOM 0 H GLN A 62 -16.661 -1.309 10.029 1.00 8.73 H new ATOM 0 HA GLN A 62 -16.392 1.139 11.421 1.00 9.08 H new ATOM 0 HB2 GLN A 62 -17.696 -1.410 12.412 1.00 9.51 H new ATOM 0 HB3 GLN A 62 -18.057 0.233 12.903 1.00 9.51 H new ATOM 0 HG2 GLN A 62 -18.607 -1.017 10.192 1.00 9.32 H new ATOM 0 HG3 GLN A 62 -19.791 -0.581 11.408 1.00 9.32 H new ATOM 0 HE21 GLN A 62 -19.450 0.406 8.602 1.00 10.04 H new ATOM 0 HE22 GLN A 62 -19.367 2.161 8.786 1.00 10.04 H new ATOM 897 N GLN A 63 -14.739 -1.442 12.525 1.00 9.36 N ATOM 898 CA GLN A 63 -13.724 -1.915 13.449 1.00 9.71 C ATOM 899 C GLN A 63 -12.470 -1.056 13.355 1.00 10.03 C ATOM 900 O GLN A 63 -11.949 -0.602 14.370 1.00 10.60 O ATOM 901 CB GLN A 63 -13.381 -3.370 13.138 1.00 9.50 C ATOM 902 CG GLN A 63 -13.005 -4.188 14.357 1.00 9.75 C ATOM 903 CD GLN A 63 -13.075 -5.675 14.086 1.00 9.97 C ATOM 904 OE1 GLN A 63 -12.081 -6.305 13.725 1.00 10.06 O ATOM 905 NE2 GLN A 63 -14.256 -6.241 14.243 1.00 10.30 N ATOM 0 H GLN A 63 -14.951 -2.096 11.772 1.00 9.36 H new ATOM 0 HA GLN A 63 -14.116 -1.844 14.463 1.00 9.71 H new ATOM 0 HB2 GLN A 63 -14.235 -3.838 12.649 1.00 9.50 H new ATOM 0 HB3 GLN A 63 -12.555 -3.394 12.428 1.00 9.50 H new ATOM 0 HG2 GLN A 63 -11.996 -3.924 14.673 1.00 9.75 H new ATOM 0 HG3 GLN A 63 -13.673 -3.938 15.181 1.00 9.75 H new ATOM 0 HE21 GLN A 63 -15.054 -5.681 14.544 1.00 10.30 H new ATOM 0 HE22 GLN A 63 -14.371 -7.238 14.063 1.00 10.30 H new ATOM 914 N VAL A 64 -11.999 -0.818 12.133 1.00 9.80 N ATOM 915 CA VAL A 64 -10.802 -0.012 11.930 1.00 10.18 C ATOM 916 C VAL A 64 -11.033 1.430 12.383 1.00 10.37 C ATOM 917 O VAL A 64 -10.088 2.141 12.738 1.00 10.25 O ATOM 918 CB VAL A 64 -10.309 -0.052 10.461 1.00 10.36 C ATOM 919 CG1 VAL A 64 -11.144 0.840 9.552 1.00 10.34 C ATOM 920 CG2 VAL A 64 -8.840 0.331 10.388 1.00 10.62 C ATOM 0 H VAL A 64 -12.425 -1.170 11.276 1.00 9.80 H new ATOM 0 HA VAL A 64 -10.016 -0.450 12.545 1.00 10.18 H new ATOM 0 HB VAL A 64 -10.428 -1.074 10.102 1.00 10.36 H new ATOM 0 HG11 VAL A 64 -10.762 0.780 8.533 1.00 10.34 H new ATOM 0 HG12 VAL A 64 -12.182 0.508 9.571 1.00 10.34 H new ATOM 0 HG13 VAL A 64 -11.086 1.871 9.901 1.00 10.34 H new ATOM 0 HG21 VAL A 64 -8.507 0.299 9.351 1.00 10.62 H new ATOM 0 HG22 VAL A 64 -8.707 1.339 10.781 1.00 10.62 H new ATOM 0 HG23 VAL A 64 -8.251 -0.370 10.980 1.00 10.62 H new ATOM 930 N VAL A 65 -12.292 1.858 12.377 1.00 10.88 N ATOM 931 CA VAL A 65 -12.637 3.198 12.827 1.00 11.34 C ATOM 932 C VAL A 65 -12.458 3.274 14.339 1.00 11.77 C ATOM 933 O VAL A 65 -11.949 4.260 14.872 1.00 11.90 O ATOM 934 CB VAL A 65 -14.089 3.577 12.455 1.00 11.81 C ATOM 935 CG1 VAL A 65 -14.463 4.938 13.028 1.00 12.41 C ATOM 936 CG2 VAL A 65 -14.275 3.565 10.945 1.00 11.68 C ATOM 0 H VAL A 65 -13.086 1.297 12.066 1.00 10.88 H new ATOM 0 HA VAL A 65 -11.976 3.906 12.327 1.00 11.34 H new ATOM 0 HB VAL A 65 -14.754 2.832 12.892 1.00 11.81 H new ATOM 0 HG11 VAL A 65 -15.489 5.180 12.751 1.00 12.41 H new ATOM 0 HG12 VAL A 65 -14.377 4.912 14.114 1.00 12.41 H new ATOM 0 HG13 VAL A 65 -13.791 5.698 12.629 1.00 12.41 H new ATOM 0 HG21 VAL A 65 -15.303 3.834 10.703 1.00 11.68 H new ATOM 0 HG22 VAL A 65 -13.595 4.284 10.489 1.00 11.68 H new ATOM 0 HG23 VAL A 65 -14.061 2.568 10.560 1.00 11.68 H new ATOM 946 N LYS A 66 -12.863 2.205 15.019 1.00 12.17 N ATOM 947 CA LYS A 66 -12.734 2.120 16.468 1.00 12.79 C ATOM 948 C LYS A 66 -11.273 1.910 16.849 1.00 12.52 C ATOM 949 O LYS A 66 -10.834 2.309 17.927 1.00 12.98 O ATOM 950 CB LYS A 66 -13.592 0.979 17.018 1.00 13.48 C ATOM 951 CG LYS A 66 -15.086 1.205 16.851 1.00 14.09 C ATOM 952 CD LYS A 66 -15.882 -0.056 17.145 1.00 14.62 C ATOM 953 CE LYS A 66 -15.709 -0.510 18.586 1.00 15.63 C ATOM 954 NZ LYS A 66 -16.546 -1.698 18.896 1.00 16.25 N ATOM 0 H LYS A 66 -13.285 1.383 14.586 1.00 12.17 H new ATOM 0 HA LYS A 66 -13.084 3.055 16.904 1.00 12.79 H new ATOM 0 HB2 LYS A 66 -13.315 0.052 16.515 1.00 13.48 H new ATOM 0 HB3 LYS A 66 -13.369 0.846 18.077 1.00 13.48 H new ATOM 0 HG2 LYS A 66 -15.410 2.004 17.518 1.00 14.09 H new ATOM 0 HG3 LYS A 66 -15.292 1.537 15.833 1.00 14.09 H new ATOM 0 HD2 LYS A 66 -16.938 0.126 16.946 1.00 14.62 H new ATOM 0 HD3 LYS A 66 -15.563 -0.852 16.472 1.00 14.62 H new ATOM 0 HE2 LYS A 66 -14.661 -0.746 18.769 1.00 15.63 H new ATOM 0 HE3 LYS A 66 -15.974 0.306 19.258 1.00 15.63 H new ATOM 0 HZ1 LYS A 66 -16.400 -1.976 19.887 1.00 16.25 H new ATOM 0 HZ2 LYS A 66 -17.548 -1.465 18.746 1.00 16.25 H new ATOM 0 HZ3 LYS A 66 -16.276 -2.485 18.272 1.00 16.25 H new ATOM 968 N LEU A 67 -10.527 1.265 15.960 1.00 11.90 N ATOM 969 CA LEU A 67 -9.109 1.022 16.183 1.00 11.71 C ATOM 970 C LEU A 67 -8.336 2.333 16.091 1.00 11.44 C ATOM 971 O LEU A 67 -7.523 2.643 16.961 1.00 11.79 O ATOM 972 CB LEU A 67 -8.568 0.024 15.157 1.00 11.29 C ATOM 973 CG LEU A 67 -9.066 -1.415 15.315 1.00 11.71 C ATOM 974 CD1 LEU A 67 -8.591 -2.276 14.155 1.00 11.30 C ATOM 975 CD2 LEU A 67 -8.597 -1.999 16.639 1.00 12.66 C ATOM 0 H LEU A 67 -10.883 0.900 15.076 1.00 11.90 H new ATOM 0 HA LEU A 67 -8.981 0.600 17.180 1.00 11.71 H new ATOM 0 HB2 LEU A 67 -8.833 0.375 14.160 1.00 11.29 H new ATOM 0 HB3 LEU A 67 -7.480 0.022 15.216 1.00 11.29 H new ATOM 0 HG LEU A 67 -10.156 -1.403 15.310 1.00 11.71 H new ATOM 0 HD11 LEU A 67 -8.955 -3.295 14.285 1.00 11.30 H new ATOM 0 HD12 LEU A 67 -8.976 -1.870 13.219 1.00 11.30 H new ATOM 0 HD13 LEU A 67 -7.501 -2.281 14.128 1.00 11.30 H new ATOM 0 HD21 LEU A 67 -8.960 -3.022 16.734 1.00 12.66 H new ATOM 0 HD22 LEU A 67 -7.508 -1.996 16.672 1.00 12.66 H new ATOM 0 HD23 LEU A 67 -8.987 -1.398 17.460 1.00 12.66 H new ATOM 987 N LYS A 68 -8.612 3.091 15.028 1.00 11.01 N ATOM 988 CA LYS A 68 -7.978 4.391 14.783 1.00 10.94 C ATOM 989 C LYS A 68 -6.459 4.290 14.663 1.00 10.41 C ATOM 990 O LYS A 68 -5.742 4.222 15.662 1.00 10.69 O ATOM 991 CB LYS A 68 -8.350 5.396 15.876 1.00 11.97 C ATOM 992 CG LYS A 68 -9.385 6.418 15.434 1.00 12.39 C ATOM 993 CD LYS A 68 -9.546 7.521 16.463 1.00 13.41 C ATOM 994 CE LYS A 68 -10.603 8.527 16.043 1.00 13.95 C ATOM 995 NZ LYS A 68 -10.831 9.554 17.091 1.00 14.83 N ATOM 0 H LYS A 68 -9.284 2.821 14.309 1.00 11.01 H new ATOM 0 HA LYS A 68 -8.359 4.744 13.825 1.00 10.94 H new ATOM 0 HB2 LYS A 68 -8.732 4.855 16.741 1.00 11.97 H new ATOM 0 HB3 LYS A 68 -7.450 5.919 16.199 1.00 11.97 H new ATOM 0 HG2 LYS A 68 -9.087 6.850 14.478 1.00 12.39 H new ATOM 0 HG3 LYS A 68 -10.343 5.923 15.276 1.00 12.39 H new ATOM 0 HD2 LYS A 68 -9.819 7.086 17.424 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -8.593 8.031 16.603 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -10.295 9.014 15.118 1.00 13.95 H new ATOM 0 HE3 LYS A 68 -11.538 8.007 15.834 1.00 13.95 H new ATOM 0 HZ1 LYS A 68 -11.088 10.456 16.643 1.00 14.83 H new ATOM 0 HZ2 LYS A 68 -11.603 9.246 17.717 1.00 14.83 H new ATOM 0 HZ3 LYS A 68 -9.962 9.680 17.649 1.00 14.83 H new ATOM 1009 N GLY A 69 -5.974 4.277 13.429 1.00 9.80 N ATOM 1010 CA GLY A 69 -4.546 4.207 13.197 1.00 9.42 C ATOM 1011 C GLY A 69 -4.044 2.788 13.041 1.00 9.15 C ATOM 1012 O GLY A 69 -3.021 2.549 12.400 1.00 9.55 O ATOM 0 H GLY A 69 -6.545 4.314 12.584 1.00 9.80 H new ATOM 0 HA2 GLY A 69 -4.301 4.775 12.299 1.00 9.42 H new ATOM 0 HA3 GLY A 69 -4.024 4.682 14.028 1.00 9.42 H new ATOM 1016 N GLN A 70 -4.755 1.846 13.636 1.00 8.62 N ATOM 1017 CA GLN A 70 -4.376 0.446 13.557 1.00 8.50 C ATOM 1018 C GLN A 70 -4.802 -0.140 12.220 1.00 7.86 C ATOM 1019 O GLN A 70 -5.993 -0.249 11.932 1.00 7.96 O ATOM 1020 CB GLN A 70 -4.998 -0.347 14.712 1.00 8.66 C ATOM 1021 CG GLN A 70 -4.469 -1.770 14.834 1.00 9.04 C ATOM 1022 CD GLN A 70 -2.952 -1.832 14.881 1.00 8.99 C ATOM 1023 OE1 GLN A 70 -2.325 -0.812 15.448 1.00 8.60 O flip ATOM 1024 NE2 GLN A 70 -2.347 -2.796 14.416 1.00 9.59 N flip ATOM 0 H GLN A 70 -5.599 2.026 14.180 1.00 8.62 H new ATOM 0 HA GLN A 70 -3.291 0.376 13.639 1.00 8.50 H new ATOM 0 HB2 GLN A 70 -4.810 0.182 15.646 1.00 8.66 H new ATOM 0 HB3 GLN A 70 -6.079 -0.381 14.577 1.00 8.66 H new ATOM 0 HG2 GLN A 70 -4.875 -2.228 15.736 1.00 9.04 H new ATOM 0 HG3 GLN A 70 -4.826 -2.359 13.989 1.00 9.04 H new ATOM 0 HE21 GLN A 70 -2.864 -3.564 13.987 1.00 9.59 H new ATOM 0 HE22 GLN A 70 -1.328 -2.828 14.460 1.00 9.59 H new ATOM 1033 N VAL A 71 -3.818 -0.491 11.404 1.00 7.44 N ATOM 1034 CA VAL A 71 -4.075 -1.068 10.095 1.00 7.11 C ATOM 1035 C VAL A 71 -4.720 -2.449 10.227 1.00 6.68 C ATOM 1036 O VAL A 71 -4.136 -3.381 10.787 1.00 6.65 O ATOM 1037 CB VAL A 71 -2.778 -1.151 9.251 1.00 7.45 C ATOM 1038 CG1 VAL A 71 -1.652 -1.823 10.026 1.00 8.10 C ATOM 1039 CG2 VAL A 71 -3.033 -1.869 7.936 1.00 7.17 C ATOM 0 H VAL A 71 -2.829 -0.385 11.629 1.00 7.44 H new ATOM 0 HA VAL A 71 -4.771 -0.410 9.575 1.00 7.11 H new ATOM 0 HB VAL A 71 -2.463 -0.132 9.028 1.00 7.45 H new ATOM 0 HG11 VAL A 71 -0.757 -1.865 9.405 1.00 8.10 H new ATOM 0 HG12 VAL A 71 -1.440 -1.251 10.929 1.00 8.10 H new ATOM 0 HG13 VAL A 71 -1.952 -2.835 10.299 1.00 8.10 H new ATOM 0 HG21 VAL A 71 -2.108 -1.915 7.361 1.00 7.17 H new ATOM 0 HG22 VAL A 71 -3.386 -2.881 8.136 1.00 7.17 H new ATOM 0 HG23 VAL A 71 -3.788 -1.327 7.366 1.00 7.17 H new ATOM 1049 N LEU A 72 -5.943 -2.560 9.736 1.00 6.60 N ATOM 1050 CA LEU A 72 -6.678 -3.810 9.790 1.00 6.50 C ATOM 1051 C LEU A 72 -6.855 -4.382 8.390 1.00 6.09 C ATOM 1052 O LEU A 72 -7.613 -3.847 7.578 1.00 5.82 O ATOM 1053 CB LEU A 72 -8.044 -3.600 10.450 1.00 6.93 C ATOM 1054 CG LEU A 72 -8.915 -4.854 10.567 1.00 7.33 C ATOM 1055 CD1 LEU A 72 -8.243 -5.897 11.448 1.00 7.61 C ATOM 1056 CD2 LEU A 72 -10.287 -4.499 11.118 1.00 7.80 C ATOM 0 H LEU A 72 -6.449 -1.793 9.293 1.00 6.60 H new ATOM 0 HA LEU A 72 -6.107 -4.519 10.389 1.00 6.50 H new ATOM 0 HB2 LEU A 72 -7.888 -3.192 11.449 1.00 6.93 H new ATOM 0 HB3 LEU A 72 -8.592 -2.849 9.881 1.00 6.93 H new ATOM 0 HG LEU A 72 -9.040 -5.277 9.570 1.00 7.33 H new ATOM 0 HD11 LEU A 72 -8.879 -6.779 11.517 1.00 7.61 H new ATOM 0 HD12 LEU A 72 -7.283 -6.175 11.014 1.00 7.61 H new ATOM 0 HD13 LEU A 72 -8.085 -5.484 12.444 1.00 7.61 H new ATOM 0 HD21 LEU A 72 -10.893 -5.402 11.195 1.00 7.80 H new ATOM 0 HD22 LEU A 72 -10.178 -4.050 12.105 1.00 7.80 H new ATOM 0 HD23 LEU A 72 -10.775 -3.790 10.449 1.00 7.80 H new ATOM 1068 N SER A 73 -6.136 -5.453 8.108 1.00 6.37 N ATOM 1069 CA SER A 73 -6.210 -6.102 6.811 1.00 6.44 C ATOM 1070 C SER A 73 -7.334 -7.136 6.781 1.00 6.58 C ATOM 1071 O SER A 73 -7.249 -8.179 7.430 1.00 7.12 O ATOM 1072 CB SER A 73 -4.874 -6.766 6.489 1.00 7.06 C ATOM 1073 OG SER A 73 -3.794 -5.998 6.993 1.00 7.59 O ATOM 0 H SER A 73 -5.491 -5.894 8.763 1.00 6.37 H new ATOM 0 HA SER A 73 -6.427 -5.345 6.057 1.00 6.44 H new ATOM 0 HB2 SER A 73 -4.847 -7.766 6.921 1.00 7.06 H new ATOM 0 HB3 SER A 73 -4.771 -6.882 5.410 1.00 7.06 H new ATOM 0 HG SER A 73 -3.449 -5.414 6.285 1.00 7.59 H new ATOM 1079 N VAL A 74 -8.391 -6.833 6.044 1.00 6.36 N ATOM 1080 CA VAL A 74 -9.523 -7.736 5.919 1.00 6.77 C ATOM 1081 C VAL A 74 -9.461 -8.460 4.573 1.00 6.50 C ATOM 1082 O VAL A 74 -9.216 -7.841 3.536 1.00 6.07 O ATOM 1083 CB VAL A 74 -10.869 -6.983 6.070 1.00 7.13 C ATOM 1084 CG1 VAL A 74 -10.954 -5.813 5.103 1.00 6.85 C ATOM 1085 CG2 VAL A 74 -12.047 -7.926 5.880 1.00 7.84 C ATOM 0 H VAL A 74 -8.488 -5.963 5.521 1.00 6.36 H new ATOM 0 HA VAL A 74 -9.466 -8.469 6.724 1.00 6.77 H new ATOM 0 HB VAL A 74 -10.914 -6.586 7.084 1.00 7.13 H new ATOM 0 HG11 VAL A 74 -11.909 -5.303 5.232 1.00 6.85 H new ATOM 0 HG12 VAL A 74 -10.141 -5.116 5.303 1.00 6.85 H new ATOM 0 HG13 VAL A 74 -10.873 -6.180 4.080 1.00 6.85 H new ATOM 0 HG21 VAL A 74 -12.979 -7.371 5.991 1.00 7.84 H new ATOM 0 HG22 VAL A 74 -12.004 -8.366 4.884 1.00 7.84 H new ATOM 0 HG23 VAL A 74 -12.004 -8.717 6.629 1.00 7.84 H new ATOM 1095 N MET A 75 -9.650 -9.770 4.595 1.00 7.05 N ATOM 1096 CA MET A 75 -9.601 -10.567 3.377 1.00 7.23 C ATOM 1097 C MET A 75 -11.006 -10.926 2.899 1.00 7.58 C ATOM 1098 O MET A 75 -11.784 -11.546 3.628 1.00 8.07 O ATOM 1099 CB MET A 75 -8.780 -11.835 3.613 1.00 7.58 C ATOM 1100 CG MET A 75 -8.391 -12.554 2.333 1.00 8.16 C ATOM 1101 SD MET A 75 -7.441 -14.057 2.641 1.00 8.88 S ATOM 1102 CE MET A 75 -7.103 -14.591 0.964 1.00 9.35 C ATOM 0 H MET A 75 -9.839 -10.305 5.443 1.00 7.05 H new ATOM 0 HA MET A 75 -9.122 -9.973 2.599 1.00 7.23 H new ATOM 0 HB2 MET A 75 -7.876 -11.575 4.163 1.00 7.58 H new ATOM 0 HB3 MET A 75 -9.352 -12.516 4.243 1.00 7.58 H new ATOM 0 HG2 MET A 75 -9.292 -12.807 1.775 1.00 8.16 H new ATOM 0 HG3 MET A 75 -7.806 -11.881 1.706 1.00 8.16 H new ATOM 0 HE1 MET A 75 -6.173 -15.159 0.944 1.00 9.35 H new ATOM 0 HE2 MET A 75 -7.920 -15.220 0.611 1.00 9.35 H new ATOM 0 HE3 MET A 75 -7.010 -13.719 0.316 1.00 9.35 H new ATOM 1112 N PHE A 76 -11.325 -10.534 1.677 1.00 7.53 N ATOM 1113 CA PHE A 76 -12.632 -10.806 1.097 1.00 7.96 C ATOM 1114 C PHE A 76 -12.510 -10.972 -0.412 1.00 8.18 C ATOM 1115 O PHE A 76 -11.403 -10.975 -0.953 1.00 8.37 O ATOM 1116 CB PHE A 76 -13.604 -9.664 1.425 1.00 7.98 C ATOM 1117 CG PHE A 76 -13.129 -8.314 0.954 1.00 8.18 C ATOM 1118 CD1 PHE A 76 -12.298 -7.541 1.749 1.00 8.46 C ATOM 1119 CD2 PHE A 76 -13.508 -7.822 -0.284 1.00 8.59 C ATOM 1120 CE1 PHE A 76 -11.857 -6.306 1.319 1.00 9.07 C ATOM 1121 CE2 PHE A 76 -13.068 -6.588 -0.721 1.00 9.23 C ATOM 1122 CZ PHE A 76 -12.242 -5.829 0.081 1.00 9.66 C ATOM 0 H PHE A 76 -10.692 -10.022 1.062 1.00 7.53 H new ATOM 0 HA PHE A 76 -13.020 -11.731 1.523 1.00 7.96 H new ATOM 0 HB2 PHE A 76 -14.571 -9.879 0.970 1.00 7.98 H new ATOM 0 HB3 PHE A 76 -13.760 -9.629 2.503 1.00 7.98 H new ATOM 0 HD1 PHE A 76 -11.992 -7.909 2.717 1.00 8.46 H new ATOM 0 HD2 PHE A 76 -14.156 -8.411 -0.916 1.00 8.59 H new ATOM 0 HE1 PHE A 76 -11.211 -5.713 1.950 1.00 9.07 H new ATOM 0 HE2 PHE A 76 -13.370 -6.218 -1.690 1.00 9.23 H new ATOM 0 HZ PHE A 76 -11.897 -4.863 -0.258 1.00 9.66 H new ATOM 1132 N ARG A 77 -13.640 -11.117 -1.087 1.00 8.33 N ATOM 1133 CA ARG A 77 -13.645 -11.260 -2.533 1.00 8.76 C ATOM 1134 C ARG A 77 -14.240 -10.020 -3.184 1.00 8.37 C ATOM 1135 O ARG A 77 -15.390 -9.656 -2.929 1.00 8.58 O ATOM 1136 CB ARG A 77 -14.410 -12.511 -2.959 1.00 9.53 C ATOM 1137 CG ARG A 77 -13.503 -13.695 -3.252 1.00 10.38 C ATOM 1138 CD ARG A 77 -14.297 -14.917 -3.678 1.00 11.13 C ATOM 1139 NE ARG A 77 -15.022 -15.522 -2.562 1.00 11.57 N ATOM 1140 CZ ARG A 77 -15.698 -16.666 -2.651 1.00 12.50 C ATOM 1141 NH1 ARG A 77 -15.750 -17.326 -3.802 1.00 13.10 N ATOM 1142 NH2 ARG A 77 -16.331 -17.148 -1.591 1.00 12.92 N ATOM 0 H ARG A 77 -14.564 -11.139 -0.656 1.00 8.33 H new ATOM 0 HA ARG A 77 -12.613 -11.369 -2.868 1.00 8.76 H new ATOM 0 HB2 ARG A 77 -15.112 -12.785 -2.172 1.00 9.53 H new ATOM 0 HB3 ARG A 77 -14.999 -12.284 -3.847 1.00 9.53 H new ATOM 0 HG2 ARG A 77 -12.797 -13.427 -4.038 1.00 10.38 H new ATOM 0 HG3 ARG A 77 -12.917 -13.933 -2.365 1.00 10.38 H new ATOM 0 HD2 ARG A 77 -15.004 -14.635 -4.458 1.00 11.13 H new ATOM 0 HD3 ARG A 77 -13.621 -15.654 -4.112 1.00 11.13 H new ATOM 0 HE ARG A 77 -15.009 -15.040 -1.663 1.00 11.57 H new ATOM 0 HH11 ARG A 77 -15.271 -16.957 -4.623 1.00 13.10 H new ATOM 0 HH12 ARG A 77 -16.269 -18.202 -3.865 1.00 13.10 H new ATOM 0 HH21 ARG A 77 -16.301 -16.643 -0.706 1.00 12.92 H new ATOM 0 HH22 ARG A 77 -16.848 -18.024 -1.661 1.00 12.92 H new ATOM 1156 N PHE A 78 -13.440 -9.382 -4.021 1.00 8.00 N ATOM 1157 CA PHE A 78 -13.843 -8.171 -4.718 1.00 7.81 C ATOM 1158 C PHE A 78 -14.237 -8.498 -6.153 1.00 7.97 C ATOM 1159 O PHE A 78 -13.770 -9.486 -6.722 1.00 8.21 O ATOM 1160 CB PHE A 78 -12.683 -7.170 -4.706 1.00 8.16 C ATOM 1161 CG PHE A 78 -13.093 -5.739 -4.915 1.00 8.43 C ATOM 1162 CD1 PHE A 78 -13.615 -4.997 -3.870 1.00 8.53 C ATOM 1163 CD2 PHE A 78 -12.938 -5.133 -6.150 1.00 8.83 C ATOM 1164 CE1 PHE A 78 -13.981 -3.679 -4.055 1.00 8.94 C ATOM 1165 CE2 PHE A 78 -13.300 -3.813 -6.341 1.00 9.26 C ATOM 1166 CZ PHE A 78 -13.820 -3.085 -5.291 1.00 9.28 C ATOM 0 H PHE A 78 -12.492 -9.689 -4.237 1.00 8.00 H new ATOM 0 HA PHE A 78 -14.704 -7.733 -4.213 1.00 7.81 H new ATOM 0 HB2 PHE A 78 -12.161 -7.250 -3.753 1.00 8.16 H new ATOM 0 HB3 PHE A 78 -11.971 -7.448 -5.483 1.00 8.16 H new ATOM 0 HD1 PHE A 78 -13.737 -5.454 -2.899 1.00 8.53 H new ATOM 0 HD2 PHE A 78 -12.529 -5.699 -6.974 1.00 8.83 H new ATOM 0 HE1 PHE A 78 -14.393 -3.112 -3.233 1.00 8.94 H new ATOM 0 HE2 PHE A 78 -13.176 -3.353 -7.310 1.00 9.26 H new ATOM 0 HZ PHE A 78 -14.101 -2.052 -5.435 1.00 9.28 H new ATOM 1176 N ARG A 79 -15.101 -7.674 -6.722 1.00 7.99 N ATOM 1177 CA ARG A 79 -15.558 -7.860 -8.089 1.00 8.38 C ATOM 1178 C ARG A 79 -14.648 -7.122 -9.065 1.00 8.66 C ATOM 1179 O ARG A 79 -14.444 -5.914 -8.946 1.00 8.73 O ATOM 1180 CB ARG A 79 -16.998 -7.360 -8.235 1.00 8.53 C ATOM 1181 CG ARG A 79 -17.502 -7.347 -9.668 1.00 9.41 C ATOM 1182 CD ARG A 79 -18.875 -6.708 -9.763 1.00 9.82 C ATOM 1183 NE ARG A 79 -19.132 -6.155 -11.093 1.00 10.05 N ATOM 1184 CZ ARG A 79 -20.177 -5.383 -11.389 1.00 10.46 C ATOM 1185 NH1 ARG A 79 -21.072 -5.082 -10.456 1.00 10.67 N ATOM 1186 NH2 ARG A 79 -20.327 -4.914 -12.620 1.00 10.87 N ATOM 0 H ARG A 79 -15.503 -6.862 -6.253 1.00 7.99 H new ATOM 0 HA ARG A 79 -15.525 -8.924 -8.322 1.00 8.38 H new ATOM 0 HB2 ARG A 79 -17.654 -7.991 -7.635 1.00 8.53 H new ATOM 0 HB3 ARG A 79 -17.065 -6.351 -7.827 1.00 8.53 H new ATOM 0 HG2 ARG A 79 -16.800 -6.801 -10.298 1.00 9.41 H new ATOM 0 HG3 ARG A 79 -17.546 -8.367 -10.050 1.00 9.41 H new ATOM 0 HD2 ARG A 79 -19.637 -7.450 -9.526 1.00 9.82 H new ATOM 0 HD3 ARG A 79 -18.958 -5.916 -9.019 1.00 9.82 H new ATOM 0 HE ARG A 79 -18.471 -6.374 -11.839 1.00 10.05 H new ATOM 0 HH11 ARG A 79 -20.961 -5.442 -9.508 1.00 10.67 H new ATOM 0 HH12 ARG A 79 -21.870 -4.491 -10.687 1.00 10.67 H new ATOM 0 HH21 ARG A 79 -19.643 -5.144 -13.340 1.00 10.87 H new ATOM 0 HH22 ARG A 79 -21.127 -4.323 -12.847 1.00 10.87 H new ATOM 1200 N SER A 80 -14.107 -7.852 -10.025 1.00 9.00 N ATOM 1201 CA SER A 80 -13.226 -7.267 -11.021 1.00 9.50 C ATOM 1202 C SER A 80 -14.035 -6.693 -12.176 1.00 9.93 C ATOM 1203 O SER A 80 -15.267 -6.768 -12.184 1.00 10.23 O ATOM 1204 CB SER A 80 -12.260 -8.328 -11.550 1.00 10.33 C ATOM 1205 OG SER A 80 -12.936 -9.263 -12.375 1.00 10.77 O ATOM 0 H SER A 80 -14.263 -8.854 -10.136 1.00 9.00 H new ATOM 0 HA SER A 80 -12.660 -6.462 -10.552 1.00 9.50 H new ATOM 0 HB2 SER A 80 -11.462 -7.848 -12.116 1.00 10.33 H new ATOM 0 HB3 SER A 80 -11.791 -8.847 -10.714 1.00 10.33 H new ATOM 0 HG SER A 80 -12.297 -9.928 -12.707 1.00 10.77 H new ATOM 1211 N LYS A 81 -13.339 -6.138 -13.161 1.00 10.16 N ATOM 1212 CA LYS A 81 -13.991 -5.572 -14.333 1.00 10.81 C ATOM 1213 C LYS A 81 -14.557 -6.699 -15.195 1.00 11.44 C ATOM 1214 O LYS A 81 -15.380 -6.478 -16.085 1.00 11.77 O ATOM 1215 CB LYS A 81 -12.998 -4.721 -15.130 1.00 11.28 C ATOM 1216 CG LYS A 81 -13.638 -3.843 -16.196 1.00 11.83 C ATOM 1217 CD LYS A 81 -14.660 -2.884 -15.603 1.00 11.83 C ATOM 1218 CE LYS A 81 -15.250 -1.979 -16.671 1.00 12.62 C ATOM 1219 NZ LYS A 81 -16.403 -1.190 -16.163 1.00 12.66 N ATOM 0 H LYS A 81 -12.321 -6.068 -13.170 1.00 10.16 H new ATOM 0 HA LYS A 81 -14.811 -4.927 -14.017 1.00 10.81 H new ATOM 0 HB2 LYS A 81 -12.444 -4.086 -14.438 1.00 11.28 H new ATOM 0 HB3 LYS A 81 -12.273 -5.381 -15.607 1.00 11.28 H new ATOM 0 HG2 LYS A 81 -12.864 -3.275 -16.711 1.00 11.83 H new ATOM 0 HG3 LYS A 81 -14.122 -4.473 -16.943 1.00 11.83 H new ATOM 0 HD2 LYS A 81 -15.457 -3.450 -15.122 1.00 11.83 H new ATOM 0 HD3 LYS A 81 -14.188 -2.278 -14.830 1.00 11.83 H new ATOM 0 HE2 LYS A 81 -14.479 -1.300 -17.036 1.00 12.62 H new ATOM 0 HE3 LYS A 81 -15.571 -2.583 -17.520 1.00 12.62 H new ATOM 0 HZ1 LYS A 81 -16.580 -0.386 -16.798 1.00 12.66 H new ATOM 0 HZ2 LYS A 81 -17.248 -1.795 -16.126 1.00 12.66 H new ATOM 0 HZ3 LYS A 81 -16.188 -0.837 -15.209 1.00 12.66 H new ATOM 1233 N ASN A 82 -14.110 -7.918 -14.907 1.00 11.74 N ATOM 1234 CA ASN A 82 -14.567 -9.102 -15.622 1.00 12.49 C ATOM 1235 C ASN A 82 -15.805 -9.666 -14.943 1.00 12.28 C ATOM 1236 O ASN A 82 -16.375 -10.656 -15.403 1.00 12.86 O ATOM 1237 CB ASN A 82 -13.484 -10.182 -15.644 1.00 13.32 C ATOM 1238 CG ASN A 82 -12.240 -9.771 -16.404 1.00 13.91 C ATOM 1239 OD1 ASN A 82 -12.294 -8.956 -17.330 1.00 14.05 O ATOM 1240 ND2 ASN A 82 -11.108 -10.335 -16.014 1.00 14.42 N ATOM 0 H ASN A 82 -13.425 -8.111 -14.176 1.00 11.74 H new ATOM 0 HA ASN A 82 -14.797 -8.809 -16.646 1.00 12.49 H new ATOM 0 HB2 ASN A 82 -13.209 -10.431 -14.619 1.00 13.32 H new ATOM 0 HB3 ASN A 82 -13.893 -11.087 -16.093 1.00 13.32 H new ATOM 0 HD21 ASN A 82 -10.233 -10.101 -16.484 1.00 14.42 H new ATOM 0 HD22 ASN A 82 -11.110 -11.004 -15.244 1.00 14.42 H new ATOM 1247 N GLN A 83 -16.203 -9.021 -13.842 1.00 11.60 N ATOM 1248 CA GLN A 83 -17.364 -9.431 -13.049 1.00 11.56 C ATOM 1249 C GLN A 83 -17.062 -10.708 -12.268 1.00 11.14 C ATOM 1250 O GLN A 83 -17.972 -11.440 -11.872 1.00 11.21 O ATOM 1251 CB GLN A 83 -18.611 -9.615 -13.925 1.00 12.34 C ATOM 1252 CG GLN A 83 -19.434 -8.346 -14.103 1.00 12.60 C ATOM 1253 CD GLN A 83 -18.615 -7.167 -14.593 1.00 12.46 C ATOM 1254 OE1 GLN A 83 -18.137 -6.356 -13.798 1.00 12.29 O ATOM 1255 NE2 GLN A 83 -18.445 -7.063 -15.900 1.00 12.69 N ATOM 0 H GLN A 83 -15.727 -8.197 -13.475 1.00 11.60 H new ATOM 0 HA GLN A 83 -17.575 -8.631 -12.339 1.00 11.56 H new ATOM 0 HB2 GLN A 83 -18.303 -9.977 -14.906 1.00 12.34 H new ATOM 0 HB3 GLN A 83 -19.242 -10.387 -13.484 1.00 12.34 H new ATOM 0 HG2 GLN A 83 -20.240 -8.540 -14.811 1.00 12.60 H new ATOM 0 HG3 GLN A 83 -19.900 -8.086 -13.152 1.00 12.60 H new ATOM 0 HE21 GLN A 83 -18.858 -7.756 -16.525 1.00 12.69 H new ATOM 0 HE22 GLN A 83 -17.901 -6.290 -16.284 1.00 12.69 H new ATOM 1264 N GLU A 84 -15.777 -10.959 -12.044 1.00 10.85 N ATOM 1265 CA GLU A 84 -15.342 -12.132 -11.299 1.00 10.56 C ATOM 1266 C GLU A 84 -15.072 -11.743 -9.847 1.00 10.07 C ATOM 1267 O GLU A 84 -15.056 -10.556 -9.515 1.00 10.08 O ATOM 1268 CB GLU A 84 -14.090 -12.745 -11.943 1.00 10.45 C ATOM 1269 CG GLU A 84 -12.782 -12.143 -11.458 1.00 10.43 C ATOM 1270 CD GLU A 84 -11.658 -12.302 -12.457 1.00 10.44 C ATOM 1271 OE1 GLU A 84 -11.092 -13.410 -12.551 1.00 10.71 O ATOM 1272 OE2 GLU A 84 -11.336 -11.314 -13.151 1.00 10.24 O ATOM 0 H GLU A 84 -15.016 -10.362 -12.370 1.00 10.85 H new ATOM 0 HA GLU A 84 -16.131 -12.884 -11.321 1.00 10.56 H new ATOM 0 HB2 GLU A 84 -14.080 -13.817 -11.743 1.00 10.45 H new ATOM 0 HB3 GLU A 84 -14.154 -12.623 -13.024 1.00 10.45 H new ATOM 0 HG2 GLU A 84 -12.930 -11.083 -11.250 1.00 10.43 H new ATOM 0 HG3 GLU A 84 -12.496 -12.615 -10.518 1.00 10.43 H new ATOM 1279 N TRP A 85 -14.857 -12.732 -8.992 1.00 9.78 N ATOM 1280 CA TRP A 85 -14.599 -12.477 -7.584 1.00 9.50 C ATOM 1281 C TRP A 85 -13.200 -12.951 -7.202 1.00 9.40 C ATOM 1282 O TRP A 85 -12.927 -14.153 -7.167 1.00 9.53 O ATOM 1283 CB TRP A 85 -15.647 -13.177 -6.715 1.00 9.93 C ATOM 1284 CG TRP A 85 -17.059 -12.909 -7.150 1.00 10.24 C ATOM 1285 CD1 TRP A 85 -17.863 -13.734 -7.885 1.00 10.93 C ATOM 1286 CD2 TRP A 85 -17.831 -11.730 -6.886 1.00 10.07 C ATOM 1287 NE1 TRP A 85 -19.085 -13.142 -8.088 1.00 11.20 N ATOM 1288 CE2 TRP A 85 -19.090 -11.914 -7.485 1.00 10.68 C ATOM 1289 CE3 TRP A 85 -17.582 -10.539 -6.198 1.00 9.65 C ATOM 1290 CZ2 TRP A 85 -20.095 -10.953 -7.420 1.00 10.85 C ATOM 1291 CZ3 TRP A 85 -18.581 -9.585 -6.135 1.00 9.84 C ATOM 1292 CH2 TRP A 85 -19.823 -9.798 -6.741 1.00 10.42 C ATOM 0 H TRP A 85 -14.856 -13.719 -9.250 1.00 9.78 H new ATOM 0 HA TRP A 85 -14.662 -11.402 -7.413 1.00 9.50 H new ATOM 0 HB2 TRP A 85 -15.466 -14.252 -6.736 1.00 9.93 H new ATOM 0 HB3 TRP A 85 -15.526 -12.853 -5.681 1.00 9.93 H new ATOM 0 HD1 TRP A 85 -17.579 -14.709 -8.252 1.00 10.93 H new ATOM 0 HE1 TRP A 85 -19.863 -13.551 -8.605 1.00 11.20 H new ATOM 0 HE3 TRP A 85 -16.627 -10.367 -5.724 1.00 9.65 H new ATOM 0 HZ2 TRP A 85 -21.055 -11.114 -7.889 1.00 10.85 H new ATOM 0 HZ3 TRP A 85 -18.399 -8.660 -5.609 1.00 9.84 H new ATOM 0 HH2 TRP A 85 -20.583 -9.034 -6.671 1.00 10.42 H new ATOM 1303 N LEU A 86 -12.323 -12.004 -6.917 1.00 9.37 N ATOM 1304 CA LEU A 86 -10.948 -12.317 -6.540 1.00 9.51 C ATOM 1305 C LEU A 86 -10.721 -12.035 -5.060 1.00 8.86 C ATOM 1306 O LEU A 86 -11.347 -11.141 -4.493 1.00 8.45 O ATOM 1307 CB LEU A 86 -9.965 -11.500 -7.383 1.00 10.04 C ATOM 1308 CG LEU A 86 -10.129 -9.979 -7.283 1.00 10.26 C ATOM 1309 CD1 LEU A 86 -8.774 -9.298 -7.179 1.00 10.30 C ATOM 1310 CD2 LEU A 86 -10.896 -9.446 -8.482 1.00 11.12 C ATOM 0 H LEU A 86 -12.536 -11.007 -6.939 1.00 9.37 H new ATOM 0 HA LEU A 86 -10.776 -13.377 -6.725 1.00 9.51 H new ATOM 0 HB2 LEU A 86 -8.950 -11.761 -7.083 1.00 10.04 H new ATOM 0 HB3 LEU A 86 -10.075 -11.794 -8.427 1.00 10.04 H new ATOM 0 HG LEU A 86 -10.697 -9.757 -6.380 1.00 10.26 H new ATOM 0 HD11 LEU A 86 -8.913 -8.219 -7.109 1.00 10.30 H new ATOM 0 HD12 LEU A 86 -8.255 -9.655 -6.290 1.00 10.30 H new ATOM 0 HD13 LEU A 86 -8.181 -9.531 -8.064 1.00 10.30 H new ATOM 0 HD21 LEU A 86 -11.003 -8.365 -8.394 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -10.353 -9.684 -9.397 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -11.883 -9.907 -8.516 1.00 11.12 H new ATOM 1322 N TRP A 87 -9.817 -12.784 -4.445 1.00 8.98 N ATOM 1323 CA TRP A 87 -9.518 -12.611 -3.029 1.00 8.61 C ATOM 1324 C TRP A 87 -8.537 -11.469 -2.831 1.00 8.55 C ATOM 1325 O TRP A 87 -7.396 -11.525 -3.295 1.00 9.23 O ATOM 1326 CB TRP A 87 -8.941 -13.893 -2.431 1.00 9.13 C ATOM 1327 CG TRP A 87 -9.974 -14.923 -2.100 1.00 9.35 C ATOM 1328 CD1 TRP A 87 -10.392 -15.946 -2.897 1.00 9.76 C ATOM 1329 CD2 TRP A 87 -10.712 -15.036 -0.879 1.00 9.44 C ATOM 1330 NE1 TRP A 87 -11.344 -16.690 -2.245 1.00 10.06 N ATOM 1331 CE2 TRP A 87 -11.559 -16.151 -1.006 1.00 9.89 C ATOM 1332 CE3 TRP A 87 -10.741 -14.300 0.307 1.00 9.42 C ATOM 1333 CZ2 TRP A 87 -12.422 -16.552 0.011 1.00 10.28 C ATOM 1334 CZ3 TRP A 87 -11.596 -14.698 1.316 1.00 9.85 C ATOM 1335 CH2 TRP A 87 -12.427 -15.815 1.162 1.00 10.26 C ATOM 0 H TRP A 87 -9.277 -13.518 -4.904 1.00 8.98 H new ATOM 0 HA TRP A 87 -10.451 -12.376 -2.516 1.00 8.61 H new ATOM 0 HB2 TRP A 87 -8.227 -14.321 -3.134 1.00 9.13 H new ATOM 0 HB3 TRP A 87 -8.387 -13.643 -1.526 1.00 9.13 H new ATOM 0 HD1 TRP A 87 -10.028 -16.143 -3.895 1.00 9.76 H new ATOM 0 HE1 TRP A 87 -11.815 -17.512 -2.623 1.00 10.06 H new ATOM 0 HE3 TRP A 87 -10.106 -13.435 0.433 1.00 9.42 H new ATOM 0 HZ2 TRP A 87 -13.063 -17.413 -0.106 1.00 10.28 H new ATOM 0 HZ3 TRP A 87 -11.624 -14.139 2.239 1.00 9.85 H new ATOM 0 HH2 TRP A 87 -13.085 -16.100 1.969 1.00 10.26 H new ATOM 1346 N MET A 88 -8.978 -10.442 -2.136 1.00 7.94 N ATOM 1347 CA MET A 88 -8.144 -9.284 -1.882 1.00 7.99 C ATOM 1348 C MET A 88 -8.076 -8.990 -0.391 1.00 7.92 C ATOM 1349 O MET A 88 -9.075 -9.101 0.322 1.00 7.76 O ATOM 1350 CB MET A 88 -8.687 -8.070 -2.644 1.00 8.19 C ATOM 1351 CG MET A 88 -7.779 -6.852 -2.584 1.00 8.29 C ATOM 1352 SD MET A 88 -7.768 -5.918 -4.128 1.00 8.99 S ATOM 1353 CE MET A 88 -9.492 -5.454 -4.261 1.00 9.32 C ATOM 0 H MET A 88 -9.914 -10.385 -1.735 1.00 7.94 H new ATOM 0 HA MET A 88 -7.134 -9.497 -2.233 1.00 7.99 H new ATOM 0 HB2 MET A 88 -8.840 -8.346 -3.687 1.00 8.19 H new ATOM 0 HB3 MET A 88 -9.663 -7.804 -2.238 1.00 8.19 H new ATOM 0 HG2 MET A 88 -8.104 -6.201 -1.772 1.00 8.29 H new ATOM 0 HG3 MET A 88 -6.764 -7.172 -2.350 1.00 8.29 H new ATOM 0 HE1 MET A 88 -9.575 -4.513 -4.805 1.00 9.32 H new ATOM 0 HE2 MET A 88 -10.038 -6.231 -4.796 1.00 9.32 H new ATOM 0 HE3 MET A 88 -9.915 -5.335 -3.263 1.00 9.32 H new ATOM 1363 N ARG A 89 -6.887 -8.650 0.073 1.00 8.22 N ATOM 1364 CA ARG A 89 -6.670 -8.318 1.466 1.00 8.32 C ATOM 1365 C ARG A 89 -6.539 -6.808 1.598 1.00 8.38 C ATOM 1366 O ARG A 89 -5.536 -6.221 1.188 1.00 8.80 O ATOM 1367 CB ARG A 89 -5.414 -9.012 1.983 1.00 8.70 C ATOM 1368 CG ARG A 89 -5.150 -8.790 3.462 1.00 8.73 C ATOM 1369 CD ARG A 89 -3.724 -9.172 3.824 1.00 9.56 C ATOM 1370 NE ARG A 89 -2.745 -8.397 3.062 1.00 9.63 N ATOM 1371 CZ ARG A 89 -1.944 -8.916 2.129 1.00 10.18 C ATOM 1372 NH1 ARG A 89 -1.999 -10.209 1.832 1.00 10.66 N ATOM 1373 NH2 ARG A 89 -1.093 -8.136 1.484 1.00 10.44 N ATOM 0 H ARG A 89 -6.048 -8.597 -0.505 1.00 8.22 H new ATOM 0 HA ARG A 89 -7.515 -8.661 2.062 1.00 8.32 H new ATOM 0 HB2 ARG A 89 -5.500 -10.082 1.796 1.00 8.70 H new ATOM 0 HB3 ARG A 89 -4.555 -8.657 1.414 1.00 8.70 H new ATOM 0 HG2 ARG A 89 -5.325 -7.744 3.713 1.00 8.73 H new ATOM 0 HG3 ARG A 89 -5.850 -9.381 4.053 1.00 8.73 H new ATOM 0 HD2 ARG A 89 -3.564 -9.012 4.890 1.00 9.56 H new ATOM 0 HD3 ARG A 89 -3.573 -10.235 3.635 1.00 9.56 H new ATOM 0 HE ARG A 89 -2.670 -7.398 3.256 1.00 9.63 H new ATOM 0 HH11 ARG A 89 -2.658 -10.816 2.319 1.00 10.66 H new ATOM 0 HH12 ARG A 89 -1.382 -10.595 1.117 1.00 10.66 H new ATOM 0 HH21 ARG A 89 -1.050 -7.140 1.700 1.00 10.44 H new ATOM 0 HH22 ARG A 89 -0.480 -8.530 0.771 1.00 10.44 H new ATOM 1387 N THR A 90 -7.563 -6.191 2.152 1.00 8.13 N ATOM 1388 CA THR A 90 -7.596 -4.752 2.313 1.00 8.31 C ATOM 1389 C THR A 90 -7.059 -4.305 3.672 1.00 7.80 C ATOM 1390 O THR A 90 -7.718 -4.469 4.701 1.00 7.13 O ATOM 1391 CB THR A 90 -9.036 -4.233 2.125 1.00 8.83 C ATOM 1392 OG1 THR A 90 -9.428 -4.392 0.758 1.00 9.37 O ATOM 1393 CG2 THR A 90 -9.162 -2.772 2.522 1.00 9.12 C ATOM 0 H THR A 90 -8.392 -6.671 2.502 1.00 8.13 H new ATOM 0 HA THR A 90 -6.945 -4.328 1.549 1.00 8.31 H new ATOM 0 HB THR A 90 -9.690 -4.816 2.774 1.00 8.83 H new ATOM 0 HG1 THR A 90 -10.265 -4.899 0.715 1.00 9.37 H new ATOM 0 HG21 THR A 90 -10.191 -2.443 2.376 1.00 9.12 H new ATOM 0 HG22 THR A 90 -8.889 -2.655 3.571 1.00 9.12 H new ATOM 0 HG23 THR A 90 -8.496 -2.169 1.905 1.00 9.12 H new ATOM 1401 N SER A 91 -5.850 -3.760 3.667 1.00 8.27 N ATOM 1402 CA SER A 91 -5.233 -3.243 4.876 1.00 8.04 C ATOM 1403 C SER A 91 -5.765 -1.836 5.128 1.00 8.00 C ATOM 1404 O SER A 91 -5.186 -0.847 4.668 1.00 8.20 O ATOM 1405 CB SER A 91 -3.704 -3.217 4.742 1.00 7.83 C ATOM 1406 OG SER A 91 -3.160 -4.527 4.687 1.00 8.08 O ATOM 0 H SER A 91 -5.275 -3.665 2.830 1.00 8.27 H new ATOM 0 HA SER A 91 -5.481 -3.892 5.716 1.00 8.04 H new ATOM 0 HB2 SER A 91 -3.427 -2.670 3.841 1.00 7.83 H new ATOM 0 HB3 SER A 91 -3.274 -2.679 5.587 1.00 7.83 H new ATOM 0 HG SER A 91 -2.183 -4.478 4.738 1.00 8.08 H new ATOM 1412 N SER A 92 -6.889 -1.755 5.823 1.00 7.99 N ATOM 1413 CA SER A 92 -7.523 -0.480 6.111 1.00 8.16 C ATOM 1414 C SER A 92 -6.780 0.287 7.198 1.00 8.34 C ATOM 1415 O SER A 92 -6.537 -0.229 8.288 1.00 8.27 O ATOM 1416 CB SER A 92 -8.976 -0.708 6.523 1.00 8.49 C ATOM 1417 OG SER A 92 -9.677 -1.429 5.521 1.00 8.65 O ATOM 0 H SER A 92 -7.383 -2.564 6.200 1.00 7.99 H new ATOM 0 HA SER A 92 -7.491 0.125 5.205 1.00 8.16 H new ATOM 0 HB2 SER A 92 -9.010 -1.258 7.464 1.00 8.49 H new ATOM 0 HB3 SER A 92 -9.464 0.251 6.696 1.00 8.49 H new ATOM 0 HG SER A 92 -9.949 -0.816 4.806 1.00 8.65 H new ATOM 1423 N PHE A 93 -6.406 1.516 6.877 1.00 8.79 N ATOM 1424 CA PHE A 93 -5.707 2.385 7.807 1.00 9.24 C ATOM 1425 C PHE A 93 -6.489 3.683 7.980 1.00 9.05 C ATOM 1426 O PHE A 93 -6.574 4.494 7.056 1.00 8.84 O ATOM 1427 CB PHE A 93 -4.286 2.669 7.295 1.00 9.87 C ATOM 1428 CG PHE A 93 -3.585 3.805 7.989 1.00 10.37 C ATOM 1429 CD1 PHE A 93 -3.334 3.762 9.351 1.00 10.90 C ATOM 1430 CD2 PHE A 93 -3.175 4.919 7.272 1.00 10.50 C ATOM 1431 CE1 PHE A 93 -2.686 4.806 9.984 1.00 11.50 C ATOM 1432 CE2 PHE A 93 -2.527 5.964 7.899 1.00 11.09 C ATOM 1433 CZ PHE A 93 -2.283 5.910 9.256 1.00 11.56 C ATOM 0 H PHE A 93 -6.579 1.938 5.964 1.00 8.79 H new ATOM 0 HA PHE A 93 -5.629 1.892 8.776 1.00 9.24 H new ATOM 0 HB2 PHE A 93 -3.686 1.766 7.408 1.00 9.87 H new ATOM 0 HB3 PHE A 93 -4.335 2.887 6.228 1.00 9.87 H new ATOM 0 HD1 PHE A 93 -3.648 2.903 9.925 1.00 10.90 H new ATOM 0 HD2 PHE A 93 -3.365 4.969 6.210 1.00 10.50 H new ATOM 0 HE1 PHE A 93 -2.495 4.759 11.046 1.00 11.50 H new ATOM 0 HE2 PHE A 93 -2.211 6.824 7.327 1.00 11.09 H new ATOM 0 HZ PHE A 93 -1.778 6.728 9.748 1.00 11.56 H new ATOM 1443 N THR A 94 -7.083 3.862 9.151 1.00 9.35 N ATOM 1444 CA THR A 94 -7.854 5.059 9.433 1.00 9.46 C ATOM 1445 C THR A 94 -6.930 6.260 9.609 1.00 9.94 C ATOM 1446 O THR A 94 -6.026 6.240 10.446 1.00 10.16 O ATOM 1447 CB THR A 94 -8.714 4.864 10.693 1.00 9.25 C ATOM 1448 OG1 THR A 94 -8.150 3.825 11.511 1.00 9.37 O ATOM 1449 CG2 THR A 94 -10.143 4.497 10.319 1.00 9.37 C ATOM 0 H THR A 94 -7.045 3.192 9.919 1.00 9.35 H new ATOM 0 HA THR A 94 -8.515 5.247 8.586 1.00 9.46 H new ATOM 0 HB THR A 94 -8.728 5.802 11.249 1.00 9.25 H new ATOM 0 HG1 THR A 94 -8.871 3.298 11.913 1.00 9.37 H new ATOM 0 HG21 THR A 94 -10.734 4.364 11.225 1.00 9.37 H new ATOM 0 HG22 THR A 94 -10.578 5.295 9.717 1.00 9.37 H new ATOM 0 HG23 THR A 94 -10.143 3.569 9.747 1.00 9.37 H new ATOM 1457 N PHE A 95 -7.152 7.297 8.814 1.00 10.31 N ATOM 1458 CA PHE A 95 -6.322 8.490 8.876 1.00 10.96 C ATOM 1459 C PHE A 95 -6.916 9.522 9.825 1.00 11.35 C ATOM 1460 O PHE A 95 -7.987 10.074 9.570 1.00 11.51 O ATOM 1461 CB PHE A 95 -6.154 9.091 7.481 1.00 11.11 C ATOM 1462 CG PHE A 95 -5.028 10.079 7.387 1.00 11.84 C ATOM 1463 CD1 PHE A 95 -3.719 9.675 7.597 1.00 12.08 C ATOM 1464 CD2 PHE A 95 -5.274 11.409 7.088 1.00 11.76 C ATOM 1465 CE1 PHE A 95 -2.677 10.579 7.510 1.00 12.25 C ATOM 1466 CE2 PHE A 95 -4.235 12.316 7.000 1.00 11.93 C ATOM 1467 CZ PHE A 95 -2.935 11.901 7.211 1.00 12.11 C ATOM 0 H PHE A 95 -7.899 7.336 8.120 1.00 10.31 H new ATOM 0 HA PHE A 95 -5.343 8.201 9.258 1.00 10.96 H new ATOM 0 HB2 PHE A 95 -5.982 8.287 6.766 1.00 11.11 H new ATOM 0 HB3 PHE A 95 -7.083 9.582 7.191 1.00 11.11 H new ATOM 0 HD1 PHE A 95 -3.511 8.642 7.831 1.00 12.08 H new ATOM 0 HD2 PHE A 95 -6.288 11.741 6.922 1.00 11.76 H new ATOM 0 HE1 PHE A 95 -1.662 10.251 7.676 1.00 12.25 H new ATOM 0 HE2 PHE A 95 -4.440 13.350 6.766 1.00 11.93 H new ATOM 0 HZ PHE A 95 -2.123 12.609 7.142 1.00 12.11 H new ATOM 1477 N GLN A 96 -6.216 9.767 10.925 1.00 11.67 N ATOM 1478 CA GLN A 96 -6.655 10.733 11.924 1.00 12.26 C ATOM 1479 C GLN A 96 -6.051 12.102 11.643 1.00 12.40 C ATOM 1480 O GLN A 96 -4.847 12.221 11.403 1.00 12.58 O ATOM 1481 CB GLN A 96 -6.235 10.285 13.324 1.00 12.87 C ATOM 1482 CG GLN A 96 -6.764 8.920 13.728 1.00 13.00 C ATOM 1483 CD GLN A 96 -5.826 8.198 14.676 1.00 13.42 C ATOM 1484 OE1 GLN A 96 -4.968 7.425 14.247 1.00 13.10 O ATOM 1485 NE2 GLN A 96 -5.961 8.467 15.964 1.00 14.24 N ATOM 0 H GLN A 96 -5.334 9.306 11.149 1.00 11.67 H new ATOM 0 HA GLN A 96 -7.742 10.796 11.873 1.00 12.26 H new ATOM 0 HB2 GLN A 96 -5.146 10.270 13.377 1.00 12.87 H new ATOM 0 HB3 GLN A 96 -6.579 11.024 14.048 1.00 12.87 H new ATOM 0 HG2 GLN A 96 -7.738 9.036 14.203 1.00 13.00 H new ATOM 0 HG3 GLN A 96 -6.914 8.312 12.836 1.00 13.00 H new ATOM 0 HE21 GLN A 96 -6.685 9.114 16.277 1.00 14.24 H new ATOM 0 HE22 GLN A 96 -5.341 8.028 16.644 1.00 14.24 H new ATOM 1494 N ASN A 97 -6.879 13.128 11.671 1.00 12.50 N ATOM 1495 CA ASN A 97 -6.412 14.485 11.440 1.00 12.84 C ATOM 1496 C ASN A 97 -5.895 15.083 12.748 1.00 13.26 C ATOM 1497 O ASN A 97 -6.494 14.879 13.805 1.00 13.46 O ATOM 1498 CB ASN A 97 -7.539 15.348 10.871 1.00 12.77 C ATOM 1499 CG ASN A 97 -7.031 16.657 10.305 1.00 13.20 C ATOM 1500 OD1 ASN A 97 -6.801 17.612 11.039 1.00 13.83 O ATOM 1501 ND2 ASN A 97 -6.860 16.714 8.996 1.00 13.02 N ATOM 0 H ASN A 97 -7.880 13.050 11.851 1.00 12.50 H new ATOM 0 HA ASN A 97 -5.599 14.460 10.714 1.00 12.84 H new ATOM 0 HB2 ASN A 97 -8.058 14.794 10.089 1.00 12.77 H new ATOM 0 HB3 ASN A 97 -8.268 15.552 11.655 1.00 12.77 H new ATOM 0 HD21 ASN A 97 -6.525 17.574 8.562 1.00 13.02 H new ATOM 0 HD22 ASN A 97 -7.063 15.898 8.419 1.00 13.02 H new ATOM 1508 N PRO A 98 -4.768 15.813 12.700 1.00 13.57 N ATOM 1509 CA PRO A 98 -4.167 16.428 13.893 1.00 14.16 C ATOM 1510 C PRO A 98 -5.041 17.500 14.550 1.00 14.64 C ATOM 1511 O PRO A 98 -4.746 17.938 15.662 1.00 15.34 O ATOM 1512 CB PRO A 98 -2.871 17.058 13.367 1.00 14.43 C ATOM 1513 CG PRO A 98 -3.077 17.208 11.900 1.00 14.13 C ATOM 1514 CD PRO A 98 -3.971 16.075 11.489 1.00 13.56 C ATOM 0 HA PRO A 98 -4.022 15.682 14.674 1.00 14.16 H new ATOM 0 HB2 PRO A 98 -2.682 18.022 13.839 1.00 14.43 H new ATOM 0 HB3 PRO A 98 -2.010 16.425 13.581 1.00 14.43 H new ATOM 0 HG2 PRO A 98 -3.534 18.170 11.667 1.00 14.13 H new ATOM 0 HG3 PRO A 98 -2.127 17.169 11.367 1.00 14.13 H new ATOM 0 HD2 PRO A 98 -4.603 16.348 10.643 1.00 13.56 H new ATOM 0 HD3 PRO A 98 -3.397 15.199 11.188 1.00 13.56 H new ATOM 1522 N TYR A 99 -6.106 17.927 13.873 1.00 14.40 N ATOM 1523 CA TYR A 99 -6.995 18.948 14.422 1.00 14.96 C ATOM 1524 C TYR A 99 -7.668 18.457 15.700 1.00 14.99 C ATOM 1525 O TYR A 99 -7.298 18.862 16.801 1.00 15.65 O ATOM 1526 CB TYR A 99 -8.063 19.360 13.401 1.00 15.01 C ATOM 1527 CG TYR A 99 -7.548 20.241 12.283 1.00 14.39 C ATOM 1528 CD1 TYR A 99 -6.329 20.899 12.388 1.00 14.95 C ATOM 1529 CD2 TYR A 99 -8.287 20.411 11.118 1.00 14.52 C ATOM 1530 CE1 TYR A 99 -5.860 21.701 11.365 1.00 15.60 C ATOM 1531 CE2 TYR A 99 -7.825 21.212 10.091 1.00 15.18 C ATOM 1532 CZ TYR A 99 -6.611 21.853 10.219 1.00 16.89 C ATOM 1533 OH TYR A 99 -6.145 22.650 9.196 1.00 16.50 O ATOM 0 H TYR A 99 -6.372 17.584 12.950 1.00 14.40 H new ATOM 0 HA TYR A 99 -6.383 19.819 14.658 1.00 14.96 H new ATOM 0 HB2 TYR A 99 -8.500 18.461 12.967 1.00 15.01 H new ATOM 0 HB3 TYR A 99 -8.864 19.885 13.922 1.00 15.01 H new ATOM 0 HD1 TYR A 99 -5.738 20.782 13.284 1.00 14.95 H new ATOM 0 HD2 TYR A 99 -9.238 19.909 11.014 1.00 14.52 H new ATOM 0 HE1 TYR A 99 -4.910 22.206 11.463 1.00 15.60 H new ATOM 0 HE2 TYR A 99 -8.412 21.335 9.193 1.00 15.18 H new ATOM 0 HH TYR A 99 -6.792 22.650 8.460 1.00 16.50 H new ATOM 1543 N SER A 100 -8.644 17.572 15.554 1.00 14.39 N ATOM 1544 CA SER A 100 -9.367 17.041 16.702 1.00 14.53 C ATOM 1545 C SER A 100 -9.364 15.512 16.691 1.00 14.18 C ATOM 1546 O SER A 100 -10.253 14.877 17.263 1.00 14.16 O ATOM 1547 CB SER A 100 -10.803 17.570 16.698 1.00 14.72 C ATOM 1548 OG SER A 100 -10.835 18.960 16.404 1.00 14.89 O ATOM 0 H SER A 100 -8.953 17.207 14.653 1.00 14.39 H new ATOM 0 HA SER A 100 -8.865 17.371 17.611 1.00 14.53 H new ATOM 0 HB2 SER A 100 -11.392 17.025 15.960 1.00 14.72 H new ATOM 0 HB3 SER A 100 -11.263 17.390 17.670 1.00 14.72 H new ATOM 0 HG SER A 100 -11.764 19.273 16.406 1.00 14.89 H new ATOM 1554 N ASP A 101 -8.361 14.932 16.028 1.00 14.07 N ATOM 1555 CA ASP A 101 -8.217 13.475 15.935 1.00 13.92 C ATOM 1556 C ASP A 101 -9.410 12.862 15.202 1.00 13.12 C ATOM 1557 O ASP A 101 -9.868 11.767 15.525 1.00 13.21 O ATOM 1558 CB ASP A 101 -8.065 12.854 17.336 1.00 14.53 C ATOM 1559 CG ASP A 101 -7.645 11.394 17.299 1.00 14.57 C ATOM 1560 OD1 ASP A 101 -6.513 11.106 16.862 1.00 14.77 O ATOM 1561 OD2 ASP A 101 -8.444 10.529 17.717 1.00 14.75 O ATOM 0 H ASP A 101 -7.630 15.453 15.543 1.00 14.07 H new ATOM 0 HA ASP A 101 -7.315 13.257 15.364 1.00 13.92 H new ATOM 0 HB2 ASP A 101 -7.327 13.424 17.901 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -9.012 12.940 17.870 1.00 14.53 H new ATOM 1566 N GLU A 102 -9.922 13.575 14.212 1.00 12.49 N ATOM 1567 CA GLU A 102 -11.057 13.085 13.446 1.00 11.85 C ATOM 1568 C GLU A 102 -10.580 12.361 12.197 1.00 11.00 C ATOM 1569 O GLU A 102 -9.625 12.788 11.549 1.00 10.88 O ATOM 1570 CB GLU A 102 -11.996 14.228 13.053 1.00 11.92 C ATOM 1571 CG GLU A 102 -11.839 15.479 13.899 1.00 12.55 C ATOM 1572 CD GLU A 102 -10.980 16.524 13.223 1.00 12.62 C ATOM 1573 OE1 GLU A 102 -9.742 16.461 13.361 1.00 12.82 O ATOM 1574 OE2 GLU A 102 -11.544 17.415 12.548 1.00 12.95 O ATOM 0 H GLU A 102 -9.573 14.488 13.921 1.00 12.49 H new ATOM 0 HA GLU A 102 -11.608 12.389 14.078 1.00 11.85 H new ATOM 0 HB2 GLU A 102 -11.821 14.485 12.008 1.00 11.92 H new ATOM 0 HB3 GLU A 102 -13.026 13.879 13.127 1.00 11.92 H new ATOM 0 HG2 GLU A 102 -12.823 15.900 14.108 1.00 12.55 H new ATOM 0 HG3 GLU A 102 -11.396 15.213 14.859 1.00 12.55 H new ATOM 1581 N ILE A 103 -11.232 11.254 11.878 1.00 10.60 N ATOM 1582 CA ILE A 103 -10.883 10.476 10.700 1.00 9.97 C ATOM 1583 C ILE A 103 -11.553 11.069 9.468 1.00 9.53 C ATOM 1584 O ILE A 103 -12.769 10.952 9.301 1.00 9.56 O ATOM 1585 CB ILE A 103 -11.313 8.999 10.848 1.00 10.32 C ATOM 1586 CG1 ILE A 103 -10.737 8.401 12.133 1.00 10.72 C ATOM 1587 CG2 ILE A 103 -10.868 8.190 9.638 1.00 10.45 C ATOM 1588 CD1 ILE A 103 -11.383 7.092 12.529 1.00 11.11 C ATOM 0 H ILE A 103 -12.008 10.873 12.420 1.00 10.60 H new ATOM 0 HA ILE A 103 -9.799 10.511 10.591 1.00 9.97 H new ATOM 0 HB ILE A 103 -12.401 8.961 10.906 1.00 10.32 H new ATOM 0 HG12 ILE A 103 -9.666 8.245 12.004 1.00 10.72 H new ATOM 0 HG13 ILE A 103 -10.859 9.118 12.945 1.00 10.72 H new ATOM 0 HG21 ILE A 103 -11.179 7.152 9.760 1.00 10.45 H new ATOM 0 HG22 ILE A 103 -11.323 8.602 8.737 1.00 10.45 H new ATOM 0 HG23 ILE A 103 -9.783 8.235 9.549 1.00 10.45 H new ATOM 0 HD11 ILE A 103 -10.927 6.725 13.448 1.00 11.11 H new ATOM 0 HD12 ILE A 103 -12.450 7.247 12.690 1.00 11.11 H new ATOM 0 HD13 ILE A 103 -11.239 6.360 11.734 1.00 11.11 H new ATOM 1600 N GLU A 104 -10.769 11.720 8.617 1.00 9.35 N ATOM 1601 CA GLU A 104 -11.314 12.320 7.409 1.00 9.23 C ATOM 1602 C GLU A 104 -11.664 11.247 6.387 1.00 8.49 C ATOM 1603 O GLU A 104 -12.692 11.334 5.714 1.00 7.95 O ATOM 1604 CB GLU A 104 -10.349 13.351 6.812 1.00 9.71 C ATOM 1605 CG GLU A 104 -8.895 12.909 6.761 1.00 10.37 C ATOM 1606 CD GLU A 104 -7.965 14.057 6.420 1.00 11.10 C ATOM 1607 OE1 GLU A 104 -7.683 14.878 7.312 1.00 11.65 O ATOM 1608 OE2 GLU A 104 -7.526 14.158 5.256 1.00 11.22 O ATOM 0 H GLU A 104 -9.764 11.844 8.740 1.00 9.35 H new ATOM 0 HA GLU A 104 -12.229 12.846 7.681 1.00 9.23 H new ATOM 0 HB2 GLU A 104 -10.677 13.591 5.801 1.00 9.71 H new ATOM 0 HB3 GLU A 104 -10.415 14.270 7.395 1.00 9.71 H new ATOM 0 HG2 GLU A 104 -8.611 12.486 7.724 1.00 10.37 H new ATOM 0 HG3 GLU A 104 -8.782 12.118 6.019 1.00 10.37 H new ATOM 1615 N TYR A 105 -10.821 10.227 6.291 1.00 8.69 N ATOM 1616 CA TYR A 105 -11.050 9.130 5.366 1.00 8.30 C ATOM 1617 C TYR A 105 -10.252 7.903 5.793 1.00 8.30 C ATOM 1618 O TYR A 105 -9.379 7.987 6.661 1.00 8.50 O ATOM 1619 CB TYR A 105 -10.699 9.532 3.922 1.00 8.40 C ATOM 1620 CG TYR A 105 -9.278 10.021 3.724 1.00 8.90 C ATOM 1621 CD1 TYR A 105 -8.207 9.137 3.738 1.00 9.14 C ATOM 1622 CD2 TYR A 105 -9.011 11.368 3.510 1.00 9.14 C ATOM 1623 CE1 TYR A 105 -6.915 9.580 3.549 1.00 9.56 C ATOM 1624 CE2 TYR A 105 -7.716 11.817 3.321 1.00 9.54 C ATOM 1625 CZ TYR A 105 -6.673 10.918 3.342 1.00 9.84 C ATOM 1626 OH TYR A 105 -5.381 11.352 3.148 1.00 10.30 O ATOM 0 H TYR A 105 -9.970 10.139 6.846 1.00 8.69 H new ATOM 0 HA TYR A 105 -12.111 8.883 5.391 1.00 8.30 H new ATOM 0 HB2 TYR A 105 -10.867 8.674 3.270 1.00 8.40 H new ATOM 0 HB3 TYR A 105 -11.386 10.315 3.601 1.00 8.40 H new ATOM 0 HD1 TYR A 105 -8.389 8.085 3.900 1.00 9.14 H new ATOM 0 HD2 TYR A 105 -9.827 12.075 3.491 1.00 9.14 H new ATOM 0 HE1 TYR A 105 -6.095 8.878 3.563 1.00 9.56 H new ATOM 0 HE2 TYR A 105 -7.524 12.867 3.158 1.00 9.54 H new ATOM 0 HH TYR A 105 -5.379 12.323 3.015 1.00 10.30 H new ATOM 1636 N ILE A 106 -10.560 6.772 5.184 1.00 8.31 N ATOM 1637 CA ILE A 106 -9.886 5.522 5.491 1.00 8.58 C ATOM 1638 C ILE A 106 -9.007 5.099 4.321 1.00 7.97 C ATOM 1639 O ILE A 106 -9.494 4.909 3.203 1.00 7.37 O ATOM 1640 CB ILE A 106 -10.896 4.396 5.803 1.00 9.05 C ATOM 1641 CG1 ILE A 106 -11.969 4.892 6.779 1.00 9.92 C ATOM 1642 CG2 ILE A 106 -10.176 3.183 6.374 1.00 9.27 C ATOM 1643 CD1 ILE A 106 -13.140 3.945 6.928 1.00 10.29 C ATOM 0 H ILE A 106 -11.280 6.693 4.466 1.00 8.31 H new ATOM 0 HA ILE A 106 -9.271 5.689 6.375 1.00 8.58 H new ATOM 0 HB ILE A 106 -11.386 4.103 4.874 1.00 9.05 H new ATOM 0 HG12 ILE A 106 -11.514 5.049 7.757 1.00 9.92 H new ATOM 0 HG13 ILE A 106 -12.337 5.860 6.439 1.00 9.92 H new ATOM 0 HG21 ILE A 106 -10.901 2.398 6.589 1.00 9.27 H new ATOM 0 HG22 ILE A 106 -9.449 2.817 5.649 1.00 9.27 H new ATOM 0 HG23 ILE A 106 -9.662 3.464 7.293 1.00 9.27 H new ATOM 0 HD11 ILE A 106 -13.858 4.362 7.634 1.00 10.29 H new ATOM 0 HD12 ILE A 106 -13.621 3.806 5.960 1.00 10.29 H new ATOM 0 HD13 ILE A 106 -12.785 2.983 7.298 1.00 10.29 H new ATOM 1655 N ILE A 107 -7.717 4.965 4.581 1.00 8.33 N ATOM 1656 CA ILE A 107 -6.764 4.567 3.556 1.00 8.06 C ATOM 1657 C ILE A 107 -6.667 3.050 3.509 1.00 8.29 C ATOM 1658 O ILE A 107 -5.939 2.438 4.289 1.00 8.62 O ATOM 1659 CB ILE A 107 -5.365 5.163 3.821 1.00 8.25 C ATOM 1660 CG1 ILE A 107 -5.487 6.636 4.217 1.00 8.19 C ATOM 1661 CG2 ILE A 107 -4.485 5.017 2.589 1.00 8.99 C ATOM 1662 CD1 ILE A 107 -4.173 7.283 4.595 1.00 8.61 C ATOM 0 H ILE A 107 -7.303 5.127 5.499 1.00 8.33 H new ATOM 0 HA ILE A 107 -7.121 4.949 2.600 1.00 8.06 H new ATOM 0 HB ILE A 107 -4.902 4.617 4.643 1.00 8.25 H new ATOM 0 HG12 ILE A 107 -5.927 7.189 3.387 1.00 8.19 H new ATOM 0 HG13 ILE A 107 -6.176 6.720 5.057 1.00 8.19 H new ATOM 0 HG21 ILE A 107 -3.502 5.442 2.792 1.00 8.99 H new ATOM 0 HG22 ILE A 107 -4.380 3.961 2.340 1.00 8.99 H new ATOM 0 HG23 ILE A 107 -4.942 5.543 1.751 1.00 8.99 H new ATOM 0 HD11 ILE A 107 -4.345 8.326 4.863 1.00 8.61 H new ATOM 0 HD12 ILE A 107 -3.740 6.757 5.445 1.00 8.61 H new ATOM 0 HD13 ILE A 107 -3.487 7.234 3.750 1.00 8.61 H new ATOM 1674 N CYS A 108 -7.416 2.449 2.606 1.00 8.31 N ATOM 1675 CA CYS A 108 -7.429 1.005 2.478 1.00 8.72 C ATOM 1676 C CYS A 108 -6.390 0.513 1.479 1.00 8.90 C ATOM 1677 O CYS A 108 -6.447 0.837 0.295 1.00 8.95 O ATOM 1678 CB CYS A 108 -8.821 0.536 2.062 1.00 8.88 C ATOM 1679 SG CYS A 108 -10.070 0.726 3.355 1.00 9.83 S ATOM 0 H CYS A 108 -8.024 2.938 1.949 1.00 8.31 H new ATOM 0 HA CYS A 108 -7.174 0.582 3.450 1.00 8.72 H new ATOM 0 HB2 CYS A 108 -9.135 1.096 1.181 1.00 8.88 H new ATOM 0 HB3 CYS A 108 -8.769 -0.513 1.771 1.00 8.88 H new ATOM 0 HG CYS A 108 -11.085 1.387 2.884 1.00 9.83 H new ATOM 1685 N THR A 109 -5.429 -0.246 1.972 1.00 9.18 N ATOM 1686 CA THR A 109 -4.394 -0.814 1.129 1.00 9.57 C ATOM 1687 C THR A 109 -4.890 -2.143 0.570 1.00 9.52 C ATOM 1688 O THR A 109 -4.832 -3.171 1.243 1.00 9.93 O ATOM 1689 CB THR A 109 -3.095 -1.029 1.923 1.00 10.24 C ATOM 1690 OG1 THR A 109 -2.883 0.077 2.818 1.00 10.47 O ATOM 1691 CG2 THR A 109 -1.907 -1.168 0.984 1.00 10.84 C ATOM 0 H THR A 109 -5.344 -0.485 2.960 1.00 9.18 H new ATOM 0 HA THR A 109 -4.178 -0.123 0.314 1.00 9.57 H new ATOM 0 HB THR A 109 -3.189 -1.949 2.499 1.00 10.24 H new ATOM 0 HG1 THR A 109 -3.496 0.004 3.579 1.00 10.47 H new ATOM 0 HG21 THR A 109 -0.998 -1.319 1.567 1.00 10.84 H new ATOM 0 HG22 THR A 109 -2.062 -2.022 0.325 1.00 10.84 H new ATOM 0 HG23 THR A 109 -1.808 -0.262 0.386 1.00 10.84 H new ATOM 1699 N ASN A 110 -5.395 -2.109 -0.649 1.00 9.26 N ATOM 1700 CA ASN A 110 -5.947 -3.297 -1.283 1.00 9.45 C ATOM 1701 C ASN A 110 -4.875 -4.115 -1.986 1.00 9.54 C ATOM 1702 O ASN A 110 -4.390 -3.733 -3.051 1.00 9.73 O ATOM 1703 CB ASN A 110 -7.032 -2.897 -2.286 1.00 10.33 C ATOM 1704 CG ASN A 110 -8.342 -2.508 -1.625 1.00 10.50 C ATOM 1705 OD1 ASN A 110 -8.377 -2.107 -0.464 1.00 10.11 O ATOM 1706 ND2 ASN A 110 -9.434 -2.619 -2.365 1.00 11.26 N ATOM 0 H ASN A 110 -5.435 -1.268 -1.225 1.00 9.26 H new ATOM 0 HA ASN A 110 -6.379 -3.918 -0.498 1.00 9.45 H new ATOM 0 HB2 ASN A 110 -6.673 -2.061 -2.886 1.00 10.33 H new ATOM 0 HB3 ASN A 110 -7.210 -3.727 -2.970 1.00 10.33 H new ATOM 0 HD21 ASN A 110 -10.342 -2.368 -1.975 1.00 11.26 H new ATOM 0 HD22 ASN A 110 -9.367 -2.956 -3.326 1.00 11.26 H new ATOM 1713 N THR A 111 -4.496 -5.228 -1.378 1.00 9.61 N ATOM 1714 CA THR A 111 -3.506 -6.117 -1.960 1.00 9.91 C ATOM 1715 C THR A 111 -4.168 -7.434 -2.363 1.00 10.65 C ATOM 1716 O THR A 111 -4.746 -8.130 -1.525 1.00 11.22 O ATOM 1717 CB THR A 111 -2.355 -6.406 -0.977 1.00 9.68 C ATOM 1718 OG1 THR A 111 -2.045 -5.229 -0.213 1.00 9.38 O ATOM 1719 CG2 THR A 111 -1.116 -6.879 -1.724 1.00 9.85 C ATOM 0 H THR A 111 -4.862 -5.537 -0.477 1.00 9.61 H new ATOM 0 HA THR A 111 -3.089 -5.622 -2.837 1.00 9.91 H new ATOM 0 HB THR A 111 -2.676 -7.196 -0.299 1.00 9.68 H new ATOM 0 HG1 THR A 111 -1.139 -4.926 -0.432 1.00 9.38 H new ATOM 0 HG21 THR A 111 -0.315 -7.077 -1.012 1.00 9.85 H new ATOM 0 HG22 THR A 111 -1.348 -7.792 -2.273 1.00 9.85 H new ATOM 0 HG23 THR A 111 -0.796 -6.107 -2.424 1.00 9.85 H new ATOM 1727 N ASN A 112 -4.106 -7.767 -3.645 1.00 10.79 N ATOM 1728 CA ASN A 112 -4.714 -8.999 -4.139 1.00 11.60 C ATOM 1729 C ASN A 112 -3.920 -10.218 -3.693 1.00 12.13 C ATOM 1730 O ASN A 112 -2.700 -10.279 -3.855 1.00 12.20 O ATOM 1731 CB ASN A 112 -4.838 -8.974 -5.666 1.00 11.56 C ATOM 1732 CG ASN A 112 -4.917 -10.367 -6.280 1.00 12.27 C ATOM 1733 OD1 ASN A 112 -6.082 -10.987 -6.208 1.00 12.78 O flip ATOM 1734 ND2 ASN A 112 -3.934 -10.882 -6.814 1.00 12.44 N flip ATOM 0 H ASN A 112 -3.644 -7.206 -4.360 1.00 10.79 H new ATOM 0 HA ASN A 112 -5.715 -9.068 -3.713 1.00 11.60 H new ATOM 0 HB2 ASN A 112 -5.728 -8.410 -5.944 1.00 11.56 H new ATOM 0 HB3 ASN A 112 -3.982 -8.446 -6.086 1.00 11.56 H new ATOM 0 HD21 ASN A 112 -3.050 -10.375 -6.852 1.00 12.44 H new ATOM 0 HD22 ASN A 112 -4.004 -11.816 -7.218 1.00 12.44 H new ATOM 1741 N VAL A 113 -4.626 -11.182 -3.124 1.00 12.66 N ATOM 1742 CA VAL A 113 -4.007 -12.407 -2.650 1.00 13.37 C ATOM 1743 C VAL A 113 -4.286 -13.544 -3.624 1.00 13.66 C ATOM 1744 O VAL A 113 -3.387 -14.298 -3.991 1.00 13.93 O ATOM 1745 CB VAL A 113 -4.525 -12.803 -1.252 1.00 14.08 C ATOM 1746 CG1 VAL A 113 -3.604 -13.822 -0.601 1.00 14.64 C ATOM 1747 CG2 VAL A 113 -4.682 -11.577 -0.366 1.00 14.08 C ATOM 0 H VAL A 113 -5.635 -11.138 -2.979 1.00 12.66 H new ATOM 0 HA VAL A 113 -2.934 -12.226 -2.582 1.00 13.37 H new ATOM 0 HB VAL A 113 -5.506 -13.262 -1.374 1.00 14.08 H new ATOM 0 HG11 VAL A 113 -3.991 -14.085 0.384 1.00 14.64 H new ATOM 0 HG12 VAL A 113 -3.554 -14.716 -1.222 1.00 14.64 H new ATOM 0 HG13 VAL A 113 -2.606 -13.396 -0.497 1.00 14.64 H new ATOM 0 HG21 VAL A 113 -5.048 -11.881 0.614 1.00 14.08 H new ATOM 0 HG22 VAL A 113 -3.717 -11.082 -0.255 1.00 14.08 H new ATOM 0 HG23 VAL A 113 -5.393 -10.888 -0.821 1.00 14.08 H new ATOM 1757 N LYS A 114 -5.539 -13.660 -4.040 1.00 13.72 N ATOM 1758 CA LYS A 114 -5.942 -14.700 -4.974 1.00 14.09 C ATOM 1759 C LYS A 114 -6.748 -14.087 -6.109 1.00 14.38 C ATOM 1760 O LYS A 114 -6.133 -13.632 -7.098 1.00 14.73 O ATOM 1761 CB LYS A 114 -6.767 -15.783 -4.270 1.00 14.21 C ATOM 1762 CG LYS A 114 -6.059 -16.433 -3.092 1.00 14.60 C ATOM 1763 CD LYS A 114 -6.922 -17.501 -2.436 1.00 14.94 C ATOM 1764 CE LYS A 114 -7.208 -18.654 -3.387 1.00 15.49 C ATOM 1765 NZ LYS A 114 -7.804 -19.822 -2.685 1.00 16.02 N ATOM 0 H LYS A 114 -6.296 -13.044 -3.744 1.00 13.72 H new ATOM 0 HA LYS A 114 -5.044 -15.167 -5.377 1.00 14.09 H new ATOM 0 HB2 LYS A 114 -7.702 -15.344 -3.921 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -7.028 -16.555 -4.994 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -5.123 -16.878 -3.430 1.00 14.60 H new ATOM 0 HG3 LYS A 114 -5.802 -15.671 -2.357 1.00 14.60 H new ATOM 0 HD2 LYS A 114 -6.419 -17.879 -1.546 1.00 14.94 H new ATOM 0 HD3 LYS A 114 -7.862 -17.058 -2.107 1.00 14.94 H new ATOM 0 HE2 LYS A 114 -7.887 -18.317 -4.171 1.00 15.49 H new ATOM 0 HE3 LYS A 114 -6.283 -18.959 -3.876 1.00 15.49 H new ATOM 0 HZ1 LYS A 114 -7.983 -20.584 -3.370 1.00 16.02 H new ATOM 0 HZ2 LYS A 114 -7.146 -20.160 -1.954 1.00 16.02 H new ATOM 0 HZ3 LYS A 114 -8.700 -19.539 -2.240 1.00 16.02 H new TER 1779 LYS A 114 ATOM 1780 N CYS B 7 1.056 -14.945 8.791 1.00 7.31 N ATOM 1781 CA CYS B 7 0.019 -15.402 7.840 1.00 7.09 C ATOM 1782 C CYS B 7 -0.020 -14.489 6.617 1.00 6.74 C ATOM 1783 O CYS B 7 -0.932 -14.569 5.796 1.00 6.90 O ATOM 1784 CB CYS B 7 -1.349 -15.421 8.526 1.00 7.27 C ATOM 1785 SG CYS B 7 -1.388 -16.374 10.062 1.00 7.49 S ATOM 0 HA CYS B 7 0.266 -16.412 7.513 1.00 7.09 H new ATOM 0 HB2 CYS B 7 -1.652 -14.396 8.739 1.00 7.27 H new ATOM 0 HB3 CYS B 7 -2.085 -15.834 7.836 1.00 7.27 H new ATOM 0 HG CYS B 7 -2.584 -16.330 10.570 1.00 7.49 H new ATOM 1791 N GLN B 8 0.979 -13.621 6.500 1.00 6.40 N ATOM 1792 CA GLN B 8 1.065 -12.691 5.385 1.00 6.15 C ATOM 1793 C GLN B 8 2.191 -13.112 4.443 1.00 5.98 C ATOM 1794 O GLN B 8 3.164 -13.736 4.876 1.00 5.98 O ATOM 1795 CB GLN B 8 1.303 -11.258 5.892 1.00 6.04 C ATOM 1796 CG GLN B 8 2.638 -11.057 6.601 1.00 6.41 C ATOM 1797 CD GLN B 8 2.611 -11.495 8.052 1.00 6.68 C ATOM 1798 OE1 GLN B 8 2.849 -12.660 8.364 1.00 6.77 O ATOM 1799 NE2 GLN B 8 2.326 -10.568 8.949 1.00 7.12 N ATOM 0 H GLN B 8 1.744 -13.544 7.170 1.00 6.40 H new ATOM 0 HA GLN B 8 0.120 -12.710 4.841 1.00 6.15 H new ATOM 0 HB2 GLN B 8 1.247 -10.572 5.047 1.00 6.04 H new ATOM 0 HB3 GLN B 8 0.498 -10.988 6.575 1.00 6.04 H new ATOM 0 HG2 GLN B 8 3.411 -11.616 6.073 1.00 6.41 H new ATOM 0 HG3 GLN B 8 2.915 -10.004 6.550 1.00 6.41 H new ATOM 0 HE21 GLN B 8 2.134 -9.612 8.651 1.00 7.12 H new ATOM 0 HE22 GLN B 8 2.298 -10.809 9.940 1.00 7.12 H new ATOM 1808 N PRO B 9 2.062 -12.804 3.145 1.00 5.94 N ATOM 1809 CA PRO B 9 3.075 -13.145 2.143 1.00 5.86 C ATOM 1810 C PRO B 9 4.329 -12.282 2.272 1.00 5.25 C ATOM 1811 O PRO B 9 4.383 -11.360 3.090 1.00 4.75 O ATOM 1812 CB PRO B 9 2.376 -12.872 0.801 1.00 6.04 C ATOM 1813 CG PRO B 9 0.938 -12.649 1.135 1.00 6.18 C ATOM 1814 CD PRO B 9 0.919 -12.119 2.537 1.00 6.07 C ATOM 0 HA PRO B 9 3.418 -14.174 2.253 1.00 5.86 H new ATOM 0 HB2 PRO B 9 2.803 -12.000 0.307 1.00 6.04 H new ATOM 0 HB3 PRO B 9 2.494 -13.714 0.119 1.00 6.04 H new ATOM 0 HG2 PRO B 9 0.482 -11.941 0.443 1.00 6.18 H new ATOM 0 HG3 PRO B 9 0.371 -13.577 1.061 1.00 6.18 H new ATOM 0 HD2 PRO B 9 1.033 -11.035 2.564 1.00 6.07 H new ATOM 0 HD3 PRO B 9 -0.015 -12.354 3.048 1.00 6.07 H new ATOM 1822 N THR B 10 5.330 -12.575 1.453 1.00 5.38 N ATOM 1823 CA THR B 10 6.585 -11.836 1.474 1.00 4.87 C ATOM 1824 C THR B 10 6.492 -10.540 0.664 1.00 4.51 C ATOM 1825 O THR B 10 7.343 -10.261 -0.186 1.00 4.85 O ATOM 1826 CB THR B 10 7.729 -12.703 0.924 1.00 5.16 C ATOM 1827 OG1 THR B 10 7.187 -13.784 0.153 1.00 5.81 O ATOM 1828 CG2 THR B 10 8.579 -13.256 2.056 1.00 5.01 C ATOM 0 H THR B 10 5.296 -13.324 0.762 1.00 5.38 H new ATOM 0 HA THR B 10 6.790 -11.577 2.513 1.00 4.87 H new ATOM 0 HB THR B 10 8.361 -12.081 0.290 1.00 5.16 H new ATOM 0 HG1 THR B 10 7.918 -14.334 -0.198 1.00 5.81 H new ATOM 0 HG21 THR B 10 9.382 -13.866 1.643 1.00 5.01 H new ATOM 0 HG22 THR B 10 9.006 -12.431 2.626 1.00 5.01 H new ATOM 0 HG23 THR B 10 7.959 -13.868 2.711 1.00 5.01 H new ATOM 1836 N GLU B 11 5.461 -9.755 0.934 1.00 4.02 N ATOM 1837 CA GLU B 11 5.252 -8.492 0.246 1.00 3.81 C ATOM 1838 C GLU B 11 4.574 -7.503 1.187 1.00 3.79 C ATOM 1839 O GLU B 11 3.698 -7.883 1.960 1.00 4.04 O ATOM 1840 CB GLU B 11 4.428 -8.717 -1.039 1.00 4.37 C ATOM 1841 CG GLU B 11 3.056 -8.052 -1.062 1.00 4.33 C ATOM 1842 CD GLU B 11 1.941 -8.983 -0.620 1.00 5.46 C ATOM 1843 OE1 GLU B 11 1.691 -9.992 -1.313 1.00 5.61 O ATOM 1844 OE2 GLU B 11 1.296 -8.698 0.408 1.00 5.85 O ATOM 0 H GLU B 11 4.750 -9.974 1.632 1.00 4.02 H new ATOM 0 HA GLU B 11 6.213 -8.071 -0.051 1.00 3.81 H new ATOM 0 HB2 GLU B 11 5.005 -8.351 -1.889 1.00 4.37 H new ATOM 0 HB3 GLU B 11 4.295 -9.789 -1.182 1.00 4.37 H new ATOM 0 HG2 GLU B 11 3.071 -7.177 -0.412 1.00 4.33 H new ATOM 0 HG3 GLU B 11 2.847 -7.696 -2.071 1.00 4.33 H new ATOM 1851 N PHE B 12 4.995 -6.247 1.146 1.00 3.64 N ATOM 1852 CA PHE B 12 4.410 -5.229 2.007 1.00 3.90 C ATOM 1853 C PHE B 12 4.575 -3.844 1.411 1.00 3.61 C ATOM 1854 O PHE B 12 5.504 -3.590 0.643 1.00 3.37 O ATOM 1855 CB PHE B 12 5.026 -5.271 3.410 1.00 3.97 C ATOM 1856 CG PHE B 12 6.501 -4.979 3.462 1.00 5.41 C ATOM 1857 CD1 PHE B 12 7.426 -5.951 3.122 1.00 5.81 C ATOM 1858 CD2 PHE B 12 6.961 -3.737 3.869 1.00 5.41 C ATOM 1859 CE1 PHE B 12 8.781 -5.692 3.184 1.00 6.08 C ATOM 1860 CE2 PHE B 12 8.317 -3.473 3.938 1.00 5.75 C ATOM 1861 CZ PHE B 12 9.227 -4.451 3.594 1.00 4.19 C ATOM 0 H PHE B 12 5.735 -5.910 0.530 1.00 3.64 H new ATOM 0 HA PHE B 12 3.345 -5.447 2.088 1.00 3.90 H new ATOM 0 HB2 PHE B 12 4.505 -4.551 4.042 1.00 3.97 H new ATOM 0 HB3 PHE B 12 4.850 -6.257 3.839 1.00 3.97 H new ATOM 0 HD1 PHE B 12 7.084 -6.925 2.804 1.00 5.81 H new ATOM 0 HD2 PHE B 12 6.253 -2.966 4.135 1.00 5.41 H new ATOM 0 HE1 PHE B 12 9.491 -6.459 2.912 1.00 6.08 H new ATOM 0 HE2 PHE B 12 8.663 -2.502 4.261 1.00 5.75 H new ATOM 0 HZ PHE B 12 10.286 -4.247 3.645 1.00 4.19 H new ATOM 1871 N ILE B 13 3.666 -2.954 1.771 1.00 4.06 N ATOM 1872 CA ILE B 13 3.699 -1.586 1.287 1.00 4.31 C ATOM 1873 C ILE B 13 4.563 -0.716 2.201 1.00 4.64 C ATOM 1874 O ILE B 13 4.241 -0.497 3.371 1.00 5.17 O ATOM 1875 CB ILE B 13 2.270 -0.996 1.174 1.00 4.65 C ATOM 1876 CG1 ILE B 13 2.322 0.489 0.809 1.00 5.25 C ATOM 1877 CG2 ILE B 13 1.491 -1.202 2.468 1.00 4.81 C ATOM 1878 CD1 ILE B 13 0.961 1.094 0.549 1.00 5.57 C ATOM 0 H ILE B 13 2.891 -3.157 2.402 1.00 4.06 H new ATOM 0 HA ILE B 13 4.140 -1.594 0.290 1.00 4.31 H new ATOM 0 HB ILE B 13 1.751 -1.527 0.376 1.00 4.65 H new ATOM 0 HG12 ILE B 13 2.806 1.037 1.617 1.00 5.25 H new ATOM 0 HG13 ILE B 13 2.943 0.615 -0.078 1.00 5.25 H new ATOM 0 HG21 ILE B 13 0.492 -0.779 2.362 1.00 4.81 H new ATOM 0 HG22 ILE B 13 1.413 -2.268 2.680 1.00 4.81 H new ATOM 0 HG23 ILE B 13 2.010 -0.706 3.288 1.00 4.81 H new ATOM 0 HD11 ILE B 13 1.074 2.148 0.296 1.00 5.57 H new ATOM 0 HD12 ILE B 13 0.483 0.571 -0.279 1.00 5.57 H new ATOM 0 HD13 ILE B 13 0.344 0.999 1.443 1.00 5.57 H new ATOM 1890 N SER B 14 5.679 -0.250 1.670 1.00 4.50 N ATOM 1891 CA SER B 14 6.585 0.594 2.426 1.00 4.98 C ATOM 1892 C SER B 14 6.350 2.065 2.097 1.00 5.30 C ATOM 1893 O SER B 14 6.926 2.605 1.148 1.00 4.82 O ATOM 1894 CB SER B 14 8.035 0.212 2.128 1.00 4.87 C ATOM 1895 OG SER B 14 8.132 -1.144 1.726 1.00 4.53 O ATOM 0 H SER B 14 5.980 -0.443 0.715 1.00 4.50 H new ATOM 0 HA SER B 14 6.391 0.443 3.488 1.00 4.98 H new ATOM 0 HB2 SER B 14 8.430 0.857 1.343 1.00 4.87 H new ATOM 0 HB3 SER B 14 8.648 0.377 3.014 1.00 4.87 H new ATOM 0 HG SER B 14 7.813 -1.235 0.804 1.00 4.53 H new ATOM 1901 N ARG B 15 5.487 2.702 2.874 1.00 6.21 N ATOM 1902 CA ARG B 15 5.182 4.110 2.681 1.00 6.71 C ATOM 1903 C ARG B 15 6.254 4.942 3.359 1.00 7.20 C ATOM 1904 O ARG B 15 6.364 4.950 4.587 1.00 7.59 O ATOM 1905 CB ARG B 15 3.800 4.444 3.247 1.00 7.25 C ATOM 1906 CG ARG B 15 2.676 3.679 2.571 1.00 7.11 C ATOM 1907 CD ARG B 15 1.552 3.358 3.542 1.00 7.81 C ATOM 1908 NE ARG B 15 0.667 4.502 3.764 1.00 7.98 N ATOM 1909 CZ ARG B 15 -0.663 4.434 3.727 1.00 8.52 C ATOM 1910 NH1 ARG B 15 -1.267 3.270 3.496 1.00 8.97 N ATOM 1911 NH2 ARG B 15 -1.390 5.530 3.926 1.00 8.77 N ATOM 0 H ARG B 15 4.985 2.264 3.646 1.00 6.21 H new ATOM 0 HA ARG B 15 5.167 4.337 1.615 1.00 6.71 H new ATOM 0 HB2 ARG B 15 3.789 4.225 4.315 1.00 7.25 H new ATOM 0 HB3 ARG B 15 3.619 5.513 3.139 1.00 7.25 H new ATOM 0 HG2 ARG B 15 2.283 4.267 1.741 1.00 7.11 H new ATOM 0 HG3 ARG B 15 3.068 2.754 2.149 1.00 7.11 H new ATOM 0 HD2 ARG B 15 0.970 2.521 3.157 1.00 7.81 H new ATOM 0 HD3 ARG B 15 1.977 3.040 4.494 1.00 7.81 H new ATOM 0 HE ARG B 15 1.095 5.407 3.959 1.00 7.98 H new ATOM 0 HH11 ARG B 15 -0.711 2.428 3.347 1.00 8.97 H new ATOM 0 HH12 ARG B 15 -2.285 3.221 3.468 1.00 8.97 H new ATOM 0 HH21 ARG B 15 -0.929 6.422 4.107 1.00 8.77 H new ATOM 0 HH22 ARG B 15 -2.408 5.479 3.898 1.00 8.77 H new ATOM 1925 N HIS B 16 7.060 5.622 2.563 1.00 7.22 N ATOM 1926 CA HIS B 16 8.143 6.428 3.105 1.00 7.74 C ATOM 1927 C HIS B 16 8.390 7.668 2.259 1.00 8.16 C ATOM 1928 O HIS B 16 7.817 7.812 1.179 1.00 8.31 O ATOM 1929 CB HIS B 16 9.427 5.589 3.227 1.00 7.44 C ATOM 1930 CG HIS B 16 9.942 4.995 1.947 1.00 7.53 C ATOM 1931 ND1 HIS B 16 11.076 4.214 1.897 1.00 7.88 N ATOM 1932 CD2 HIS B 16 9.479 5.057 0.675 1.00 7.45 C ATOM 1933 CE1 HIS B 16 11.284 3.823 0.656 1.00 7.94 C ATOM 1934 NE2 HIS B 16 10.331 4.320 -0.105 1.00 7.70 N ATOM 0 H HIS B 16 6.987 5.634 1.546 1.00 7.22 H new ATOM 0 HA HIS B 16 7.847 6.761 4.100 1.00 7.74 H new ATOM 0 HB2 HIS B 16 10.209 6.216 3.655 1.00 7.44 H new ATOM 0 HB3 HIS B 16 9.244 4.780 3.934 1.00 7.44 H new ATOM 0 HD1 HIS B 16 11.663 3.976 2.696 1.00 7.88 H new ATOM 0 HD2 HIS B 16 8.601 5.589 0.338 1.00 7.45 H new ATOM 0 HE1 HIS B 16 12.099 3.200 0.319 1.00 7.94 H new ATOM 1943 N ASN B 17 9.251 8.549 2.749 1.00 8.44 N ATOM 1944 CA ASN B 17 9.571 9.779 2.039 1.00 8.93 C ATOM 1945 C ASN B 17 10.624 9.529 0.957 1.00 8.16 C ATOM 1946 O ASN B 17 11.148 8.418 0.829 1.00 7.25 O ATOM 1947 CB ASN B 17 10.023 10.868 3.026 1.00 9.72 C ATOM 1948 CG ASN B 17 11.503 10.830 3.368 1.00 10.00 C ATOM 1949 OD1 ASN B 17 12.126 9.771 3.410 1.00 9.52 O ATOM 1950 ND2 ASN B 17 12.076 11.999 3.616 1.00 10.83 N ATOM 0 H ASN B 17 9.741 8.434 3.636 1.00 8.44 H new ATOM 0 HA ASN B 17 8.670 10.134 1.539 1.00 8.93 H new ATOM 0 HB2 ASN B 17 9.785 11.845 2.605 1.00 9.72 H new ATOM 0 HB3 ASN B 17 9.447 10.769 3.946 1.00 9.72 H new ATOM 0 HD21 ASN B 17 13.068 12.041 3.852 1.00 10.83 H new ATOM 0 HD22 ASN B 17 11.525 12.857 3.571 1.00 10.83 H new ATOM 1957 N ILE B 18 10.923 10.568 0.185 1.00 8.56 N ATOM 1958 CA ILE B 18 11.893 10.482 -0.908 1.00 7.97 C ATOM 1959 C ILE B 18 13.287 10.053 -0.440 1.00 8.14 C ATOM 1960 O ILE B 18 14.033 9.428 -1.192 1.00 8.11 O ATOM 1961 CB ILE B 18 12.006 11.827 -1.655 1.00 8.20 C ATOM 1962 CG1 ILE B 18 12.273 12.971 -0.665 1.00 8.36 C ATOM 1963 CG2 ILE B 18 10.740 12.089 -2.462 1.00 8.89 C ATOM 1964 CD1 ILE B 18 12.401 14.329 -1.319 1.00 8.53 C ATOM 0 H ILE B 18 10.504 11.491 0.296 1.00 8.56 H new ATOM 0 HA ILE B 18 11.514 9.712 -1.580 1.00 7.97 H new ATOM 0 HB ILE B 18 12.848 11.775 -2.346 1.00 8.20 H new ATOM 0 HG12 ILE B 18 11.463 13.004 0.064 1.00 8.36 H new ATOM 0 HG13 ILE B 18 13.189 12.756 -0.114 1.00 8.36 H new ATOM 0 HG21 ILE B 18 10.832 13.041 -2.985 1.00 8.89 H new ATOM 0 HG22 ILE B 18 10.599 11.289 -3.188 1.00 8.89 H new ATOM 0 HG23 ILE B 18 9.882 12.125 -1.791 1.00 8.89 H new ATOM 0 HD11 ILE B 18 12.589 15.084 -0.556 1.00 8.53 H new ATOM 0 HD12 ILE B 18 13.230 14.315 -2.027 1.00 8.53 H new ATOM 0 HD13 ILE B 18 11.477 14.568 -1.846 1.00 8.53 H new ATOM 1976 N GLU B 19 13.629 10.367 0.803 1.00 8.43 N ATOM 1977 CA GLU B 19 14.942 10.024 1.343 1.00 8.81 C ATOM 1978 C GLU B 19 15.008 8.560 1.765 1.00 8.59 C ATOM 1979 O GLU B 19 16.079 8.041 2.081 1.00 8.52 O ATOM 1980 CB GLU B 19 15.278 10.925 2.528 1.00 9.86 C ATOM 1981 CG GLU B 19 15.234 12.403 2.185 1.00 10.25 C ATOM 1982 CD GLU B 19 15.520 13.288 3.377 1.00 11.31 C ATOM 1983 OE1 GLU B 19 14.622 13.446 4.232 1.00 11.92 O ATOM 1984 OE2 GLU B 19 16.639 13.836 3.458 1.00 11.62 O ATOM 0 H GLU B 19 13.018 10.857 1.456 1.00 8.43 H new ATOM 0 HA GLU B 19 15.677 10.180 0.553 1.00 8.81 H new ATOM 0 HB2 GLU B 19 14.577 10.725 3.338 1.00 9.86 H new ATOM 0 HB3 GLU B 19 16.272 10.673 2.897 1.00 9.86 H new ATOM 0 HG2 GLU B 19 15.961 12.611 1.400 1.00 10.25 H new ATOM 0 HG3 GLU B 19 14.251 12.649 1.782 1.00 10.25 H new ATOM 1991 N GLY B 20 13.860 7.899 1.788 1.00 8.56 N ATOM 1992 CA GLY B 20 13.826 6.502 2.160 1.00 8.44 C ATOM 1993 C GLY B 20 13.352 6.280 3.579 1.00 8.57 C ATOM 1994 O GLY B 20 13.119 5.139 3.979 1.00 8.52 O ATOM 0 H GLY B 20 12.954 8.305 1.556 1.00 8.56 H new ATOM 0 HA2 GLY B 20 13.169 5.965 1.475 1.00 8.44 H new ATOM 0 HA3 GLY B 20 14.823 6.077 2.045 1.00 8.44 H new ATOM 1998 N ILE B 21 13.203 7.366 4.330 1.00 8.85 N ATOM 1999 CA ILE B 21 12.752 7.295 5.717 1.00 9.05 C ATOM 2000 C ILE B 21 11.334 6.746 5.782 1.00 8.72 C ATOM 2001 O ILE B 21 10.389 7.397 5.331 1.00 8.95 O ATOM 2002 CB ILE B 21 12.786 8.681 6.400 1.00 9.94 C ATOM 2003 CG1 ILE B 21 14.197 9.279 6.344 1.00 9.95 C ATOM 2004 CG2 ILE B 21 12.305 8.578 7.845 1.00 10.87 C ATOM 2005 CD1 ILE B 21 15.196 8.574 7.236 1.00 10.51 C ATOM 0 H ILE B 21 13.389 8.313 3.999 1.00 8.85 H new ATOM 0 HA ILE B 21 13.435 6.630 6.246 1.00 9.05 H new ATOM 0 HB ILE B 21 12.112 9.345 5.859 1.00 9.94 H new ATOM 0 HG12 ILE B 21 14.555 9.245 5.315 1.00 9.95 H new ATOM 0 HG13 ILE B 21 14.148 10.330 6.629 1.00 9.95 H new ATOM 0 HG21 ILE B 21 12.336 9.563 8.310 1.00 10.87 H new ATOM 0 HG22 ILE B 21 11.283 8.201 7.862 1.00 10.87 H new ATOM 0 HG23 ILE B 21 12.953 7.896 8.396 1.00 10.87 H new ATOM 0 HD11 ILE B 21 16.170 9.054 7.142 1.00 10.51 H new ATOM 0 HD12 ILE B 21 14.862 8.631 8.272 1.00 10.51 H new ATOM 0 HD13 ILE B 21 15.276 7.529 6.937 1.00 10.51 H new ATOM 2017 N PHE B 22 11.197 5.545 6.329 1.00 8.23 N ATOM 2018 CA PHE B 22 9.899 4.892 6.438 1.00 7.87 C ATOM 2019 C PHE B 22 8.951 5.670 7.342 1.00 7.79 C ATOM 2020 O PHE B 22 9.273 5.970 8.494 1.00 8.12 O ATOM 2021 CB PHE B 22 10.063 3.464 6.953 1.00 7.86 C ATOM 2022 CG PHE B 22 10.821 2.571 6.013 1.00 7.34 C ATOM 2023 CD1 PHE B 22 10.156 1.858 5.030 1.00 7.10 C ATOM 2024 CD2 PHE B 22 12.196 2.442 6.115 1.00 7.19 C ATOM 2025 CE1 PHE B 22 10.849 1.035 4.165 1.00 6.75 C ATOM 2026 CE2 PHE B 22 12.894 1.620 5.253 1.00 6.90 C ATOM 2027 CZ PHE B 22 12.220 0.914 4.277 1.00 6.69 C ATOM 0 H PHE B 22 11.973 5.001 6.706 1.00 8.23 H new ATOM 0 HA PHE B 22 9.461 4.865 5.440 1.00 7.87 H new ATOM 0 HB2 PHE B 22 10.579 3.489 7.913 1.00 7.86 H new ATOM 0 HB3 PHE B 22 9.077 3.036 7.133 1.00 7.86 H new ATOM 0 HD1 PHE B 22 9.084 1.947 4.939 1.00 7.10 H new ATOM 0 HD2 PHE B 22 12.728 2.991 6.878 1.00 7.19 H new ATOM 0 HE1 PHE B 22 10.319 0.486 3.401 1.00 6.75 H new ATOM 0 HE2 PHE B 22 13.966 1.529 5.342 1.00 6.90 H new ATOM 0 HZ PHE B 22 12.763 0.269 3.603 1.00 6.69 H new ATOM 2037 N THR B 23 7.787 5.997 6.802 1.00 7.44 N ATOM 2038 CA THR B 23 6.774 6.734 7.534 1.00 7.38 C ATOM 2039 C THR B 23 5.712 5.784 8.087 1.00 7.22 C ATOM 2040 O THR B 23 5.308 5.889 9.247 1.00 7.91 O ATOM 2041 CB THR B 23 6.105 7.779 6.622 1.00 7.22 C ATOM 2042 OG1 THR B 23 7.092 8.400 5.783 1.00 7.16 O ATOM 2043 CG2 THR B 23 5.393 8.840 7.445 1.00 7.36 C ATOM 0 H THR B 23 7.520 5.759 5.847 1.00 7.44 H new ATOM 0 HA THR B 23 7.261 7.244 8.365 1.00 7.38 H new ATOM 0 HB THR B 23 5.368 7.269 6.002 1.00 7.22 H new ATOM 0 HG1 THR B 23 6.660 9.062 5.204 1.00 7.16 H new ATOM 0 HG21 THR B 23 4.928 9.567 6.778 1.00 7.36 H new ATOM 0 HG22 THR B 23 4.626 8.369 8.060 1.00 7.36 H new ATOM 0 HG23 THR B 23 6.113 9.346 8.088 1.00 7.36 H new ATOM 2051 N PHE B 24 5.278 4.850 7.250 1.00 6.39 N ATOM 2052 CA PHE B 24 4.272 3.871 7.639 1.00 6.27 C ATOM 2053 C PHE B 24 4.526 2.550 6.922 1.00 5.44 C ATOM 2054 O PHE B 24 4.582 2.502 5.691 1.00 4.71 O ATOM 2055 CB PHE B 24 2.861 4.382 7.317 1.00 6.55 C ATOM 2056 CG PHE B 24 1.764 3.464 7.793 1.00 6.80 C ATOM 2057 CD1 PHE B 24 1.382 3.453 9.124 1.00 7.52 C ATOM 2058 CD2 PHE B 24 1.117 2.614 6.909 1.00 6.51 C ATOM 2059 CE1 PHE B 24 0.377 2.613 9.565 1.00 7.89 C ATOM 2060 CE2 PHE B 24 0.111 1.772 7.344 1.00 6.98 C ATOM 2061 CZ PHE B 24 -0.259 1.771 8.674 1.00 7.64 C ATOM 0 H PHE B 24 5.610 4.750 6.291 1.00 6.39 H new ATOM 0 HA PHE B 24 4.343 3.714 8.715 1.00 6.27 H new ATOM 0 HB2 PHE B 24 2.726 5.363 7.773 1.00 6.55 H new ATOM 0 HB3 PHE B 24 2.769 4.516 6.239 1.00 6.55 H new ATOM 0 HD1 PHE B 24 1.875 4.109 9.826 1.00 7.52 H new ATOM 0 HD2 PHE B 24 1.403 2.610 5.867 1.00 6.51 H new ATOM 0 HE1 PHE B 24 0.089 2.615 10.606 1.00 7.89 H new ATOM 0 HE2 PHE B 24 -0.385 1.116 6.644 1.00 6.98 H new ATOM 0 HZ PHE B 24 -1.044 1.113 9.017 1.00 7.64 H new ATOM 2071 N VAL B 25 4.689 1.488 7.695 1.00 5.71 N ATOM 2072 CA VAL B 25 4.941 0.166 7.142 1.00 5.22 C ATOM 2073 C VAL B 25 3.851 -0.807 7.576 1.00 5.47 C ATOM 2074 O VAL B 25 3.503 -0.868 8.757 1.00 5.85 O ATOM 2075 CB VAL B 25 6.318 -0.379 7.589 1.00 5.58 C ATOM 2076 CG1 VAL B 25 6.639 -1.683 6.877 1.00 5.20 C ATOM 2077 CG2 VAL B 25 7.415 0.646 7.337 1.00 6.10 C ATOM 0 H VAL B 25 4.651 1.516 8.714 1.00 5.71 H new ATOM 0 HA VAL B 25 4.939 0.259 6.056 1.00 5.22 H new ATOM 0 HB VAL B 25 6.270 -0.574 8.660 1.00 5.58 H new ATOM 0 HG11 VAL B 25 7.612 -2.048 7.207 1.00 5.20 H new ATOM 0 HG12 VAL B 25 5.875 -2.424 7.112 1.00 5.20 H new ATOM 0 HG13 VAL B 25 6.661 -1.514 5.800 1.00 5.20 H new ATOM 0 HG21 VAL B 25 8.374 0.240 7.659 1.00 6.10 H new ATOM 0 HG22 VAL B 25 7.459 0.878 6.273 1.00 6.10 H new ATOM 0 HG23 VAL B 25 7.199 1.555 7.898 1.00 6.10 H new ATOM 2087 N ASP B 26 3.306 -1.553 6.619 1.00 5.31 N ATOM 2088 CA ASP B 26 2.258 -2.528 6.915 1.00 5.56 C ATOM 2089 C ASP B 26 2.847 -3.695 7.704 1.00 6.58 C ATOM 2090 O ASP B 26 4.054 -3.952 7.649 1.00 7.15 O ATOM 2091 CB ASP B 26 1.596 -3.038 5.626 1.00 4.87 C ATOM 2092 CG ASP B 26 0.251 -3.713 5.876 1.00 4.97 C ATOM 2093 OD1 ASP B 26 -0.180 -3.782 7.042 1.00 5.05 O ATOM 2094 OD2 ASP B 26 -0.376 -4.180 4.897 1.00 5.22 O ATOM 0 H ASP B 26 3.571 -1.502 5.635 1.00 5.31 H new ATOM 0 HA ASP B 26 1.491 -2.038 7.514 1.00 5.56 H new ATOM 0 HB2 ASP B 26 1.455 -2.202 4.941 1.00 4.87 H new ATOM 0 HB3 ASP B 26 2.265 -3.744 5.135 1.00 4.87 H new ATOM 2099 N HIS B 27 1.991 -4.420 8.404 1.00 6.95 N ATOM 2100 CA HIS B 27 2.419 -5.543 9.232 1.00 8.01 C ATOM 2101 C HIS B 27 2.702 -6.787 8.394 1.00 8.33 C ATOM 2102 O HIS B 27 2.203 -7.871 8.686 1.00 8.59 O ATOM 2103 CB HIS B 27 1.354 -5.855 10.289 1.00 8.34 C ATOM 2104 CG HIS B 27 1.264 -4.821 11.367 1.00 8.39 C ATOM 2105 ND1 HIS B 27 2.229 -4.103 11.984 1.00 8.80 N flip ATOM 2106 CD2 HIS B 27 0.074 -4.429 11.939 1.00 8.34 C flip ATOM 2107 CE1 HIS B 27 1.613 -3.299 12.906 1.00 8.97 C flip ATOM 2108 NE2 HIS B 27 0.312 -3.513 12.857 1.00 8.70 N flip ATOM 0 H HIS B 27 0.985 -4.251 8.417 1.00 6.95 H new ATOM 0 HA HIS B 27 3.347 -5.255 9.725 1.00 8.01 H new ATOM 0 HB2 HIS B 27 0.384 -5.945 9.801 1.00 8.34 H new ATOM 0 HB3 HIS B 27 1.574 -6.822 10.741 1.00 8.34 H new ATOM 0 HD1 HIS B 27 3.231 -4.151 11.797 1.00 8.80 H new ATOM 0 HD2 HIS B 27 -0.901 -4.812 11.677 1.00 8.34 H new ATOM 0 HE1 HIS B 27 2.111 -2.603 13.565 1.00 8.97 H new ATOM 2117 N ARG B 28 3.509 -6.628 7.356 1.00 8.41 N ATOM 2118 CA ARG B 28 3.861 -7.742 6.485 1.00 8.82 C ATOM 2119 C ARG B 28 5.378 -7.886 6.384 1.00 9.34 C ATOM 2120 O ARG B 28 5.888 -8.943 6.010 1.00 9.76 O ATOM 2121 CB ARG B 28 3.256 -7.547 5.091 1.00 8.65 C ATOM 2122 CG ARG B 28 1.738 -7.623 5.055 1.00 9.09 C ATOM 2123 CD ARG B 28 1.203 -7.444 3.638 1.00 9.23 C ATOM 2124 NE ARG B 28 0.697 -6.090 3.402 1.00 9.07 N ATOM 2125 CZ ARG B 28 0.697 -5.476 2.217 1.00 9.17 C ATOM 2126 NH1 ARG B 28 1.168 -6.078 1.133 1.00 9.42 N ATOM 2127 NH2 ARG B 28 0.202 -4.254 2.116 1.00 9.14 N ATOM 0 H ARG B 28 3.933 -5.738 7.095 1.00 8.41 H new ATOM 0 HA ARG B 28 3.452 -8.655 6.918 1.00 8.82 H new ATOM 0 HB2 ARG B 28 3.569 -6.578 4.703 1.00 8.65 H new ATOM 0 HB3 ARG B 28 3.663 -8.305 4.421 1.00 8.65 H new ATOM 0 HG2 ARG B 28 1.411 -8.585 5.450 1.00 9.09 H new ATOM 0 HG3 ARG B 28 1.319 -6.854 5.703 1.00 9.09 H new ATOM 0 HD2 ARG B 28 1.995 -7.663 2.922 1.00 9.23 H new ATOM 0 HD3 ARG B 28 0.404 -8.164 3.460 1.00 9.23 H new ATOM 0 HE ARG B 28 0.318 -5.580 4.200 1.00 9.07 H new ATOM 0 HH11 ARG B 28 1.538 -7.026 1.197 1.00 9.42 H new ATOM 0 HH12 ARG B 28 1.160 -5.593 0.236 1.00 9.42 H new ATOM 0 HH21 ARG B 28 -0.176 -3.787 2.940 1.00 9.14 H new ATOM 0 HH22 ARG B 28 0.198 -3.778 1.214 1.00 9.14 H new ATOM 2141 N CYS B 29 6.095 -6.833 6.772 1.00 9.40 N ATOM 2142 CA CYS B 29 7.555 -6.821 6.711 1.00 9.95 C ATOM 2143 C CYS B 29 8.165 -7.904 7.598 1.00 10.96 C ATOM 2144 O CYS B 29 9.266 -8.395 7.331 1.00 11.56 O ATOM 2145 CB CYS B 29 8.080 -5.450 7.132 1.00 9.64 C ATOM 2146 SG CYS B 29 7.520 -4.926 8.767 1.00 9.41 S ATOM 0 H CYS B 29 5.685 -5.972 7.134 1.00 9.40 H new ATOM 0 HA CYS B 29 7.848 -7.028 5.682 1.00 9.95 H new ATOM 0 HB2 CYS B 29 9.170 -5.469 7.120 1.00 9.64 H new ATOM 0 HB3 CYS B 29 7.766 -4.710 6.396 1.00 9.64 H new ATOM 0 HG CYS B 29 8.460 -5.145 9.638 1.00 9.41 H new ATOM 2152 N VAL B 30 7.439 -8.278 8.644 1.00 11.19 N ATOM 2153 CA VAL B 30 7.895 -9.296 9.582 1.00 12.16 C ATOM 2154 C VAL B 30 8.136 -10.627 8.877 1.00 12.13 C ATOM 2155 O VAL B 30 9.107 -11.322 9.160 1.00 12.06 O ATOM 2156 CB VAL B 30 6.871 -9.505 10.716 1.00 12.71 C ATOM 2157 CG1 VAL B 30 7.417 -10.461 11.765 1.00 13.64 C ATOM 2158 CG2 VAL B 30 6.485 -8.175 11.347 1.00 12.09 C ATOM 0 H VAL B 30 6.523 -7.887 8.865 1.00 11.19 H new ATOM 0 HA VAL B 30 8.834 -8.941 10.007 1.00 12.16 H new ATOM 0 HB VAL B 30 5.974 -9.949 10.285 1.00 12.71 H new ATOM 0 HG11 VAL B 30 6.678 -10.594 12.556 1.00 13.64 H new ATOM 0 HG12 VAL B 30 7.631 -11.425 11.303 1.00 13.64 H new ATOM 0 HG13 VAL B 30 8.333 -10.051 12.190 1.00 13.64 H new ATOM 0 HG21 VAL B 30 5.762 -8.347 12.144 1.00 12.09 H new ATOM 0 HG22 VAL B 30 7.373 -7.697 11.760 1.00 12.09 H new ATOM 0 HG23 VAL B 30 6.043 -7.528 10.590 1.00 12.09 H new ATOM 2168 N ALA B 31 7.261 -10.963 7.941 1.00 12.22 N ATOM 2169 CA ALA B 31 7.379 -12.214 7.210 1.00 12.23 C ATOM 2170 C ALA B 31 8.284 -12.061 5.995 1.00 12.35 C ATOM 2171 O ALA B 31 8.735 -13.049 5.419 1.00 12.90 O ATOM 2172 CB ALA B 31 6.005 -12.700 6.779 1.00 12.06 C ATOM 0 H ALA B 31 6.463 -10.388 7.671 1.00 12.22 H new ATOM 0 HA ALA B 31 7.828 -12.951 7.875 1.00 12.23 H new ATOM 0 HB1 ALA B 31 6.106 -13.638 6.232 1.00 12.06 H new ATOM 0 HB2 ALA B 31 5.382 -12.858 7.660 1.00 12.06 H new ATOM 0 HB3 ALA B 31 5.540 -11.953 6.136 1.00 12.06 H new ATOM 2178 N THR B 32 8.550 -10.821 5.611 1.00 11.87 N ATOM 2179 CA THR B 32 9.384 -10.554 4.450 1.00 11.93 C ATOM 2180 C THR B 32 10.870 -10.472 4.810 1.00 12.13 C ATOM 2181 O THR B 32 11.696 -11.162 4.214 1.00 12.07 O ATOM 2182 CB THR B 32 8.960 -9.247 3.761 1.00 11.28 C ATOM 2183 OG1 THR B 32 7.531 -9.168 3.708 1.00 10.74 O ATOM 2184 CG2 THR B 32 9.528 -9.165 2.351 1.00 11.32 C ATOM 0 H THR B 32 8.202 -9.987 6.085 1.00 11.87 H new ATOM 0 HA THR B 32 9.243 -11.393 3.768 1.00 11.93 H new ATOM 0 HB THR B 32 9.353 -8.412 4.341 1.00 11.28 H new ATOM 0 HG1 THR B 32 7.180 -8.986 4.605 1.00 10.74 H new ATOM 0 HG21 THR B 32 9.213 -8.231 1.886 1.00 11.32 H new ATOM 0 HG22 THR B 32 10.617 -9.200 2.395 1.00 11.32 H new ATOM 0 HG23 THR B 32 9.161 -10.005 1.762 1.00 11.32 H new ATOM 2192 N VAL B 33 11.210 -9.632 5.782 1.00 12.47 N ATOM 2193 CA VAL B 33 12.606 -9.464 6.181 1.00 12.77 C ATOM 2194 C VAL B 33 12.819 -9.706 7.672 1.00 13.33 C ATOM 2195 O VAL B 33 13.955 -9.825 8.130 1.00 13.87 O ATOM 2196 CB VAL B 33 13.134 -8.056 5.826 1.00 12.98 C ATOM 2197 CG1 VAL B 33 13.442 -7.959 4.339 1.00 12.95 C ATOM 2198 CG2 VAL B 33 12.138 -6.980 6.244 1.00 13.04 C ATOM 0 H VAL B 33 10.546 -9.061 6.305 1.00 12.47 H new ATOM 0 HA VAL B 33 13.164 -10.215 5.622 1.00 12.77 H new ATOM 0 HB VAL B 33 14.059 -7.891 6.378 1.00 12.98 H new ATOM 0 HG11 VAL B 33 13.813 -6.960 4.109 1.00 12.95 H new ATOM 0 HG12 VAL B 33 14.200 -8.697 4.075 1.00 12.95 H new ATOM 0 HG13 VAL B 33 12.535 -8.150 3.766 1.00 12.95 H new ATOM 0 HG21 VAL B 33 12.533 -5.998 5.983 1.00 13.04 H new ATOM 0 HG22 VAL B 33 11.192 -7.140 5.727 1.00 13.04 H new ATOM 0 HG23 VAL B 33 11.977 -7.032 7.321 1.00 13.04 H new ATOM 2208 N GLY B 34 11.735 -9.761 8.432 1.00 13.22 N ATOM 2209 CA GLY B 34 11.851 -9.980 9.862 1.00 13.79 C ATOM 2210 C GLY B 34 11.944 -8.677 10.632 1.00 13.48 C ATOM 2211 O GLY B 34 11.667 -8.631 11.834 1.00 13.67 O ATOM 0 H GLY B 34 10.780 -9.659 8.088 1.00 13.22 H new ATOM 0 HA2 GLY B 34 10.989 -10.547 10.213 1.00 13.79 H new ATOM 0 HA3 GLY B 34 12.735 -10.585 10.065 1.00 13.79 H new ATOM 2215 N TYR B 35 12.338 -7.615 9.935 1.00 13.06 N ATOM 2216 CA TYR B 35 12.461 -6.297 10.540 1.00 12.84 C ATOM 2217 C TYR B 35 11.085 -5.776 10.933 1.00 12.88 C ATOM 2218 O TYR B 35 10.153 -5.791 10.124 1.00 12.93 O ATOM 2219 CB TYR B 35 13.122 -5.316 9.564 1.00 12.71 C ATOM 2220 CG TYR B 35 14.636 -5.255 9.644 1.00 13.12 C ATOM 2221 CD1 TYR B 35 15.286 -4.984 10.844 1.00 13.55 C ATOM 2222 CD2 TYR B 35 15.415 -5.453 8.511 1.00 13.47 C ATOM 2223 CE1 TYR B 35 16.668 -4.912 10.909 1.00 14.27 C ATOM 2224 CE2 TYR B 35 16.795 -5.385 8.569 1.00 14.23 C ATOM 2225 CZ TYR B 35 17.416 -5.116 9.769 1.00 14.46 C ATOM 2226 OH TYR B 35 18.792 -5.043 9.826 1.00 15.38 O ATOM 0 H TYR B 35 12.578 -7.645 8.944 1.00 13.06 H new ATOM 0 HA TYR B 35 13.085 -6.382 11.430 1.00 12.84 H new ATOM 0 HB2 TYR B 35 12.838 -5.590 8.548 1.00 12.71 H new ATOM 0 HB3 TYR B 35 12.723 -4.319 9.749 1.00 12.71 H new ATOM 0 HD1 TYR B 35 14.703 -4.827 11.740 1.00 13.55 H new ATOM 0 HD2 TYR B 35 14.934 -5.664 7.567 1.00 13.47 H new ATOM 0 HE1 TYR B 35 17.157 -4.697 11.848 1.00 14.27 H new ATOM 0 HE2 TYR B 35 17.384 -5.542 7.677 1.00 14.23 H new ATOM 0 HH TYR B 35 19.165 -5.947 9.891 1.00 15.38 H new ATOM 2236 N GLN B 36 10.955 -5.341 12.175 1.00 12.95 N ATOM 2237 CA GLN B 36 9.693 -4.809 12.668 1.00 13.09 C ATOM 2238 C GLN B 36 9.471 -3.408 12.102 1.00 13.29 C ATOM 2239 O GLN B 36 10.435 -2.691 11.839 1.00 13.05 O ATOM 2240 CB GLN B 36 9.694 -4.768 14.198 1.00 13.40 C ATOM 2241 CG GLN B 36 10.014 -6.107 14.844 1.00 13.22 C ATOM 2242 CD GLN B 36 9.007 -7.183 14.491 1.00 13.36 C ATOM 2243 OE1 GLN B 36 9.282 -7.934 13.437 1.00 13.78 O flip ATOM 2244 NE2 GLN B 36 7.995 -7.345 15.169 1.00 13.13 N flip ATOM 0 H GLN B 36 11.709 -5.345 12.862 1.00 12.95 H new ATOM 0 HA GLN B 36 8.881 -5.459 12.342 1.00 13.09 H new ATOM 0 HB2 GLN B 36 10.423 -4.030 14.533 1.00 13.40 H new ATOM 0 HB3 GLN B 36 8.717 -4.431 14.545 1.00 13.40 H new ATOM 0 HG2 GLN B 36 11.007 -6.428 14.531 1.00 13.22 H new ATOM 0 HG3 GLN B 36 10.045 -5.985 15.927 1.00 13.22 H new ATOM 0 HE21 GLN B 36 7.819 -6.744 15.975 1.00 13.13 H new ATOM 0 HE22 GLN B 36 7.331 -8.080 14.926 1.00 13.13 H new ATOM 2253 N PRO B 37 8.204 -3.002 11.902 1.00 13.77 N ATOM 2254 CA PRO B 37 7.870 -1.680 11.354 1.00 14.06 C ATOM 2255 C PRO B 37 8.566 -0.545 12.101 1.00 14.37 C ATOM 2256 O PRO B 37 9.091 0.384 11.489 1.00 14.17 O ATOM 2257 CB PRO B 37 6.354 -1.589 11.540 1.00 14.71 C ATOM 2258 CG PRO B 37 5.890 -3.001 11.555 1.00 14.52 C ATOM 2259 CD PRO B 37 6.997 -3.798 12.191 1.00 14.10 C ATOM 0 HA PRO B 37 8.194 -1.578 10.318 1.00 14.06 H new ATOM 0 HB2 PRO B 37 6.099 -1.079 12.469 1.00 14.71 H new ATOM 0 HB3 PRO B 37 5.889 -1.028 10.730 1.00 14.71 H new ATOM 0 HG2 PRO B 37 4.964 -3.101 12.121 1.00 14.52 H new ATOM 0 HG3 PRO B 37 5.686 -3.355 10.544 1.00 14.52 H new ATOM 0 HD2 PRO B 37 6.841 -3.916 13.263 1.00 14.10 H new ATOM 0 HD3 PRO B 37 7.066 -4.800 11.766 1.00 14.10 H new ATOM 2267 N GLN B 38 8.591 -0.651 13.425 1.00 14.87 N ATOM 2268 CA GLN B 38 9.212 0.358 14.277 1.00 15.23 C ATOM 2269 C GLN B 38 10.709 0.485 13.998 1.00 14.56 C ATOM 2270 O GLN B 38 11.293 1.551 14.188 1.00 14.37 O ATOM 2271 CB GLN B 38 8.985 0.021 15.752 1.00 16.33 C ATOM 2272 CG GLN B 38 7.524 0.086 16.175 1.00 17.13 C ATOM 2273 CD GLN B 38 6.797 -1.243 16.026 1.00 17.26 C ATOM 2274 OE1 GLN B 38 7.150 -2.073 15.188 1.00 17.15 O ATOM 2275 NE2 GLN B 38 5.771 -1.452 16.836 1.00 17.54 N ATOM 0 H GLN B 38 8.184 -1.434 13.936 1.00 14.87 H new ATOM 0 HA GLN B 38 8.743 1.315 14.049 1.00 15.23 H new ATOM 0 HB2 GLN B 38 9.368 -0.980 15.950 1.00 16.33 H new ATOM 0 HB3 GLN B 38 9.563 0.711 16.367 1.00 16.33 H new ATOM 0 HG2 GLN B 38 7.467 0.409 17.214 1.00 17.13 H new ATOM 0 HG3 GLN B 38 7.013 0.841 15.578 1.00 17.13 H new ATOM 0 HE21 GLN B 38 5.507 -0.741 17.518 1.00 17.54 H new ATOM 0 HE22 GLN B 38 5.244 -2.324 16.778 1.00 17.54 H new ATOM 2284 N GLU B 39 11.318 -0.602 13.539 1.00 14.24 N ATOM 2285 CA GLU B 39 12.743 -0.606 13.234 1.00 13.70 C ATOM 2286 C GLU B 39 13.017 0.184 11.960 1.00 13.37 C ATOM 2287 O GLU B 39 14.060 0.825 11.827 1.00 13.53 O ATOM 2288 CB GLU B 39 13.261 -2.038 13.078 1.00 13.16 C ATOM 2289 CG GLU B 39 12.967 -2.926 14.275 1.00 13.35 C ATOM 2290 CD GLU B 39 13.703 -4.250 14.215 1.00 12.51 C ATOM 2291 OE1 GLU B 39 14.922 -4.266 14.485 1.00 12.54 O ATOM 2292 OE2 GLU B 39 13.066 -5.279 13.917 1.00 12.57 O ATOM 0 H GLU B 39 10.847 -1.491 13.370 1.00 14.24 H new ATOM 0 HA GLU B 39 13.267 -0.134 14.065 1.00 13.70 H new ATOM 0 HB2 GLU B 39 12.814 -2.482 12.189 1.00 13.16 H new ATOM 0 HB3 GLU B 39 14.338 -2.010 12.913 1.00 13.16 H new ATOM 0 HG2 GLU B 39 13.245 -2.401 15.189 1.00 13.35 H new ATOM 0 HG3 GLU B 39 11.895 -3.113 14.329 1.00 13.35 H new ATOM 2299 N LEU B 40 12.072 0.139 11.031 1.00 12.99 N ATOM 2300 CA LEU B 40 12.209 0.851 9.766 1.00 12.68 C ATOM 2301 C LEU B 40 11.850 2.327 9.924 1.00 12.42 C ATOM 2302 O LEU B 40 12.392 3.186 9.228 1.00 12.12 O ATOM 2303 CB LEU B 40 11.320 0.219 8.686 1.00 13.01 C ATOM 2304 CG LEU B 40 11.842 -1.081 8.059 1.00 13.16 C ATOM 2305 CD1 LEU B 40 13.360 -1.080 7.972 1.00 13.20 C ATOM 2306 CD2 LEU B 40 11.351 -2.288 8.838 1.00 14.03 C ATOM 0 H LEU B 40 11.201 -0.383 11.129 1.00 12.99 H new ATOM 0 HA LEU B 40 13.252 0.775 9.459 1.00 12.68 H new ATOM 0 HB2 LEU B 40 10.340 0.021 9.120 1.00 13.01 H new ATOM 0 HB3 LEU B 40 11.174 0.950 7.890 1.00 13.01 H new ATOM 0 HG LEU B 40 11.449 -1.143 7.044 1.00 13.16 H new ATOM 0 HD11 LEU B 40 13.699 -2.014 7.524 1.00 13.20 H new ATOM 0 HD12 LEU B 40 13.689 -0.242 7.357 1.00 13.20 H new ATOM 0 HD13 LEU B 40 13.782 -0.984 8.972 1.00 13.20 H new ATOM 0 HD21 LEU B 40 11.733 -3.199 8.376 1.00 14.03 H new ATOM 0 HD22 LEU B 40 11.706 -2.226 9.867 1.00 14.03 H new ATOM 0 HD23 LEU B 40 10.261 -2.307 8.831 1.00 14.03 H new ATOM 2318 N LEU B 41 10.933 2.614 10.842 1.00 12.56 N ATOM 2319 CA LEU B 41 10.493 3.983 11.087 1.00 12.35 C ATOM 2320 C LEU B 41 11.662 4.862 11.520 1.00 11.89 C ATOM 2321 O LEU B 41 12.307 4.600 12.539 1.00 11.86 O ATOM 2322 CB LEU B 41 9.394 4.012 12.154 1.00 13.17 C ATOM 2323 CG LEU B 41 8.118 3.243 11.804 1.00 13.46 C ATOM 2324 CD1 LEU B 41 7.084 3.399 12.907 1.00 13.62 C ATOM 2325 CD2 LEU B 41 7.554 3.717 10.473 1.00 13.49 C ATOM 0 H LEU B 41 10.479 1.915 11.430 1.00 12.56 H new ATOM 0 HA LEU B 41 10.090 4.377 10.154 1.00 12.35 H new ATOM 0 HB2 LEU B 41 9.800 3.606 13.080 1.00 13.17 H new ATOM 0 HB3 LEU B 41 9.129 5.051 12.350 1.00 13.17 H new ATOM 0 HG LEU B 41 8.368 2.186 11.712 1.00 13.46 H new ATOM 0 HD11 LEU B 41 6.183 2.846 12.642 1.00 13.62 H new ATOM 0 HD12 LEU B 41 7.487 3.009 13.842 1.00 13.62 H new ATOM 0 HD13 LEU B 41 6.839 4.454 13.030 1.00 13.62 H new ATOM 0 HD21 LEU B 41 6.647 3.158 10.242 1.00 13.49 H new ATOM 0 HD22 LEU B 41 7.319 4.780 10.535 1.00 13.49 H new ATOM 0 HD23 LEU B 41 8.291 3.553 9.687 1.00 13.49 H new ATOM 2337 N GLY B 42 11.938 5.892 10.731 1.00 11.62 N ATOM 2338 CA GLY B 42 13.023 6.801 11.043 1.00 11.31 C ATOM 2339 C GLY B 42 14.344 6.351 10.450 1.00 11.25 C ATOM 2340 O GLY B 42 15.386 6.952 10.707 1.00 11.52 O ATOM 0 H GLY B 42 11.427 6.115 9.877 1.00 11.62 H new ATOM 0 HA2 GLY B 42 12.780 7.795 10.668 1.00 11.31 H new ATOM 0 HA3 GLY B 42 13.123 6.884 12.125 1.00 11.31 H new ATOM 2344 N LYS B 43 14.304 5.290 9.657 1.00 10.99 N ATOM 2345 CA LYS B 43 15.503 4.759 9.026 1.00 11.02 C ATOM 2346 C LYS B 43 15.406 4.863 7.511 1.00 10.14 C ATOM 2347 O LYS B 43 14.306 4.895 6.952 1.00 9.53 O ATOM 2348 CB LYS B 43 15.712 3.298 9.430 1.00 11.75 C ATOM 2349 CG LYS B 43 16.301 3.115 10.819 1.00 12.72 C ATOM 2350 CD LYS B 43 17.768 3.509 10.864 1.00 13.24 C ATOM 2351 CE LYS B 43 17.945 4.949 11.307 1.00 13.72 C ATOM 2352 NZ LYS B 43 19.097 5.600 10.634 1.00 13.82 N ATOM 0 H LYS B 43 13.450 4.778 9.435 1.00 10.99 H new ATOM 0 HA LYS B 43 16.354 5.350 9.364 1.00 11.02 H new ATOM 0 HB2 LYS B 43 14.755 2.779 9.382 1.00 11.75 H new ATOM 0 HB3 LYS B 43 16.370 2.822 8.703 1.00 11.75 H new ATOM 0 HG2 LYS B 43 15.740 3.717 11.534 1.00 12.72 H new ATOM 0 HG3 LYS B 43 16.194 2.074 11.125 1.00 12.72 H new ATOM 0 HD2 LYS B 43 18.302 2.849 11.548 1.00 13.24 H new ATOM 0 HD3 LYS B 43 18.212 3.374 9.878 1.00 13.24 H new ATOM 0 HE2 LYS B 43 17.035 5.509 11.091 1.00 13.72 H new ATOM 0 HE3 LYS B 43 18.090 4.981 12.387 1.00 13.72 H new ATOM 0 HZ1 LYS B 43 19.162 6.592 10.939 1.00 13.82 H new ATOM 0 HZ2 LYS B 43 19.974 5.102 10.887 1.00 13.82 H new ATOM 0 HZ3 LYS B 43 18.963 5.563 9.603 1.00 13.82 H new ATOM 2366 N ASN B 44 16.554 4.925 6.853 1.00 10.16 N ATOM 2367 CA ASN B 44 16.596 5.012 5.402 1.00 9.44 C ATOM 2368 C ASN B 44 16.626 3.614 4.810 1.00 9.58 C ATOM 2369 O ASN B 44 17.369 2.753 5.277 1.00 10.05 O ATOM 2370 CB ASN B 44 17.835 5.775 4.919 1.00 8.98 C ATOM 2371 CG ASN B 44 17.890 7.216 5.385 1.00 8.84 C ATOM 2372 OD1 ASN B 44 18.369 7.509 6.479 1.00 9.30 O ATOM 2373 ND2 ASN B 44 17.425 8.129 4.549 1.00 8.30 N ATOM 0 H ASN B 44 17.470 4.917 7.302 1.00 10.16 H new ATOM 0 HA ASN B 44 15.706 5.550 5.076 1.00 9.44 H new ATOM 0 HB2 ASN B 44 18.728 5.256 5.268 1.00 8.98 H new ATOM 0 HB3 ASN B 44 17.860 5.755 3.829 1.00 8.98 H new ATOM 0 HD21 ASN B 44 17.456 9.116 4.803 1.00 8.30 H new ATOM 0 HD22 ASN B 44 17.035 7.846 3.650 1.00 8.30 H new ATOM 2380 N ILE B 45 15.827 3.388 3.778 1.00 9.27 N ATOM 2381 CA ILE B 45 15.780 2.087 3.117 1.00 9.41 C ATOM 2382 C ILE B 45 17.143 1.740 2.511 1.00 9.62 C ATOM 2383 O ILE B 45 17.499 0.572 2.374 1.00 9.60 O ATOM 2384 CB ILE B 45 14.690 2.060 2.017 1.00 9.37 C ATOM 2385 CG1 ILE B 45 14.568 0.660 1.403 1.00 9.51 C ATOM 2386 CG2 ILE B 45 14.989 3.094 0.941 1.00 9.43 C ATOM 2387 CD1 ILE B 45 13.379 0.503 0.478 1.00 9.46 C ATOM 0 H ILE B 45 15.201 4.087 3.378 1.00 9.27 H new ATOM 0 HA ILE B 45 15.528 1.341 3.870 1.00 9.41 H new ATOM 0 HB ILE B 45 13.735 2.311 2.479 1.00 9.37 H new ATOM 0 HG12 ILE B 45 15.480 0.435 0.850 1.00 9.51 H new ATOM 0 HG13 ILE B 45 14.492 -0.074 2.205 1.00 9.51 H new ATOM 0 HG21 ILE B 45 14.212 3.060 0.177 1.00 9.43 H new ATOM 0 HG22 ILE B 45 15.014 4.088 1.388 1.00 9.43 H new ATOM 0 HG23 ILE B 45 15.955 2.876 0.486 1.00 9.43 H new ATOM 0 HD11 ILE B 45 13.358 -0.512 0.082 1.00 9.46 H new ATOM 0 HD12 ILE B 45 12.460 0.696 1.031 1.00 9.46 H new ATOM 0 HD13 ILE B 45 13.463 1.212 -0.346 1.00 9.46 H new ATOM 2399 N VAL B 46 17.912 2.774 2.186 1.00 9.93 N ATOM 2400 CA VAL B 46 19.232 2.602 1.594 1.00 10.30 C ATOM 2401 C VAL B 46 20.237 2.058 2.618 1.00 10.43 C ATOM 2402 O VAL B 46 21.240 1.443 2.251 1.00 10.29 O ATOM 2403 CB VAL B 46 19.743 3.937 0.993 1.00 10.71 C ATOM 2404 CG1 VAL B 46 19.949 4.986 2.075 1.00 11.50 C ATOM 2405 CG2 VAL B 46 21.021 3.729 0.190 1.00 11.12 C ATOM 0 H VAL B 46 17.640 3.747 2.324 1.00 9.93 H new ATOM 0 HA VAL B 46 19.140 1.871 0.791 1.00 10.30 H new ATOM 0 HB VAL B 46 18.975 4.304 0.312 1.00 10.71 H new ATOM 0 HG11 VAL B 46 20.307 5.910 1.622 1.00 11.50 H new ATOM 0 HG12 VAL B 46 19.004 5.174 2.584 1.00 11.50 H new ATOM 0 HG13 VAL B 46 20.684 4.626 2.795 1.00 11.50 H new ATOM 0 HG21 VAL B 46 21.354 4.683 -0.218 1.00 11.12 H new ATOM 0 HG22 VAL B 46 21.796 3.322 0.839 1.00 11.12 H new ATOM 0 HG23 VAL B 46 20.829 3.033 -0.626 1.00 11.12 H new ATOM 2415 N GLU B 47 19.943 2.253 3.902 1.00 10.71 N ATOM 2416 CA GLU B 47 20.822 1.788 4.969 1.00 10.91 C ATOM 2417 C GLU B 47 20.807 0.266 5.053 1.00 11.16 C ATOM 2418 O GLU B 47 21.828 -0.366 5.329 1.00 11.89 O ATOM 2419 CB GLU B 47 20.393 2.387 6.308 1.00 10.79 C ATOM 2420 CG GLU B 47 20.367 3.906 6.312 1.00 10.56 C ATOM 2421 CD GLU B 47 20.155 4.484 7.695 1.00 10.89 C ATOM 2422 OE1 GLU B 47 18.990 4.688 8.092 1.00 10.95 O ATOM 2423 OE2 GLU B 47 21.158 4.743 8.393 1.00 11.17 O ATOM 0 H GLU B 47 19.102 2.730 4.227 1.00 10.71 H new ATOM 0 HA GLU B 47 21.837 2.115 4.742 1.00 10.91 H new ATOM 0 HB2 GLU B 47 19.401 2.014 6.563 1.00 10.79 H new ATOM 0 HB3 GLU B 47 21.073 2.041 7.086 1.00 10.79 H new ATOM 0 HG2 GLU B 47 21.306 4.282 5.906 1.00 10.56 H new ATOM 0 HG3 GLU B 47 19.572 4.253 5.652 1.00 10.56 H new ATOM 2430 N PHE B 48 19.643 -0.316 4.801 1.00 10.58 N ATOM 2431 CA PHE B 48 19.487 -1.763 4.841 1.00 10.76 C ATOM 2432 C PHE B 48 19.596 -2.336 3.433 1.00 9.96 C ATOM 2433 O PHE B 48 19.335 -3.515 3.203 1.00 9.35 O ATOM 2434 CB PHE B 48 18.133 -2.150 5.447 1.00 11.00 C ATOM 2435 CG PHE B 48 17.776 -1.394 6.695 1.00 11.61 C ATOM 2436 CD1 PHE B 48 18.165 -1.859 7.939 1.00 12.05 C ATOM 2437 CD2 PHE B 48 17.047 -0.219 6.622 1.00 11.83 C ATOM 2438 CE1 PHE B 48 17.836 -1.166 9.088 1.00 12.71 C ATOM 2439 CE2 PHE B 48 16.715 0.479 7.766 1.00 12.47 C ATOM 2440 CZ PHE B 48 17.111 0.005 9.001 1.00 13.60 C ATOM 0 H PHE B 48 18.791 0.193 4.566 1.00 10.58 H new ATOM 0 HA PHE B 48 20.279 -2.174 5.466 1.00 10.76 H new ATOM 0 HB2 PHE B 48 17.354 -1.986 4.702 1.00 11.00 H new ATOM 0 HB3 PHE B 48 18.140 -3.217 5.672 1.00 11.00 H new ATOM 0 HD1 PHE B 48 18.733 -2.775 8.013 1.00 12.05 H new ATOM 0 HD2 PHE B 48 16.734 0.156 5.659 1.00 11.83 H new ATOM 0 HE1 PHE B 48 18.146 -1.540 10.053 1.00 12.71 H new ATOM 0 HE2 PHE B 48 16.146 1.394 7.695 1.00 12.47 H new ATOM 0 HZ PHE B 48 16.854 0.550 9.897 1.00 13.60 H new ATOM 2450 N CYS B 49 19.981 -1.489 2.494 1.00 10.07 N ATOM 2451 CA CYS B 49 20.115 -1.897 1.109 1.00 9.47 C ATOM 2452 C CYS B 49 21.543 -2.329 0.807 1.00 9.93 C ATOM 2453 O CYS B 49 22.498 -1.825 1.402 1.00 10.81 O ATOM 2454 CB CYS B 49 19.704 -0.748 0.182 1.00 9.48 C ATOM 2455 SG CYS B 49 19.916 -1.091 -1.583 1.00 9.00 S ATOM 0 H CYS B 49 20.207 -0.510 2.668 1.00 10.07 H new ATOM 0 HA CYS B 49 19.457 -2.749 0.936 1.00 9.47 H new ATOM 0 HB2 CYS B 49 18.658 -0.505 0.368 1.00 9.48 H new ATOM 0 HB3 CYS B 49 20.288 0.136 0.440 1.00 9.48 H new ATOM 0 HG CYS B 49 18.973 -1.889 -1.986 1.00 9.00 H new ATOM 2461 N HIS B 50 21.669 -3.285 -0.102 1.00 9.34 N ATOM 2462 CA HIS B 50 22.962 -3.799 -0.528 1.00 9.67 C ATOM 2463 C HIS B 50 23.805 -2.658 -1.097 1.00 9.57 C ATOM 2464 O HIS B 50 23.325 -1.911 -1.945 1.00 9.10 O ATOM 2465 CB HIS B 50 22.733 -4.878 -1.590 1.00 9.86 C ATOM 2466 CG HIS B 50 23.890 -5.796 -1.827 1.00 10.44 C ATOM 2467 ND1 HIS B 50 24.282 -6.190 -3.087 1.00 10.42 N ATOM 2468 CD2 HIS B 50 24.716 -6.429 -0.963 1.00 11.13 C ATOM 2469 CE1 HIS B 50 25.295 -7.030 -2.988 1.00 11.06 C ATOM 2470 NE2 HIS B 50 25.577 -7.189 -1.710 1.00 11.49 N ATOM 0 H HIS B 50 20.875 -3.727 -0.566 1.00 9.34 H new ATOM 0 HA HIS B 50 23.495 -4.232 0.319 1.00 9.67 H new ATOM 0 HB2 HIS B 50 21.870 -5.476 -1.297 1.00 9.86 H new ATOM 0 HB3 HIS B 50 22.478 -4.390 -2.531 1.00 9.86 H new ATOM 0 HD1 HIS B 50 23.856 -5.881 -3.961 1.00 10.42 H new ATOM 0 HD2 HIS B 50 24.700 -6.350 0.114 1.00 11.13 H new ATOM 0 HE1 HIS B 50 25.805 -7.506 -3.812 1.00 11.06 H new ATOM 2479 N PRO B 51 25.055 -2.495 -0.621 1.00 10.07 N ATOM 2480 CA PRO B 51 25.960 -1.430 -1.082 1.00 10.05 C ATOM 2481 C PRO B 51 26.016 -1.297 -2.604 1.00 9.24 C ATOM 2482 O PRO B 51 25.825 -0.210 -3.146 1.00 9.13 O ATOM 2483 CB PRO B 51 27.316 -1.868 -0.536 1.00 10.76 C ATOM 2484 CG PRO B 51 26.988 -2.625 0.702 1.00 11.35 C ATOM 2485 CD PRO B 51 25.682 -3.325 0.427 1.00 10.77 C ATOM 0 HA PRO B 51 25.631 -0.450 -0.738 1.00 10.05 H new ATOM 0 HB2 PRO B 51 27.851 -2.491 -1.253 1.00 10.76 H new ATOM 0 HB3 PRO B 51 27.954 -1.011 -0.321 1.00 10.76 H new ATOM 0 HG2 PRO B 51 27.773 -3.343 0.940 1.00 11.35 H new ATOM 0 HG3 PRO B 51 26.899 -1.955 1.557 1.00 11.35 H new ATOM 0 HD2 PRO B 51 25.840 -4.348 0.086 1.00 10.77 H new ATOM 0 HD3 PRO B 51 25.060 -3.379 1.321 1.00 10.77 H new ATOM 2493 N GLU B 52 26.248 -2.411 -3.291 1.00 8.71 N ATOM 2494 CA GLU B 52 26.334 -2.411 -4.752 1.00 7.99 C ATOM 2495 C GLU B 52 24.986 -2.119 -5.413 1.00 7.30 C ATOM 2496 O GLU B 52 24.909 -1.979 -6.633 1.00 7.14 O ATOM 2497 CB GLU B 52 26.867 -3.755 -5.249 1.00 7.73 C ATOM 2498 CG GLU B 52 28.189 -4.153 -4.621 1.00 8.39 C ATOM 2499 CD GLU B 52 28.020 -5.190 -3.536 1.00 8.75 C ATOM 2500 OE1 GLU B 52 27.502 -4.846 -2.453 1.00 8.56 O ATOM 2501 OE2 GLU B 52 28.397 -6.361 -3.768 1.00 9.28 O ATOM 0 H GLU B 52 26.380 -3.327 -2.862 1.00 8.71 H new ATOM 0 HA GLU B 52 27.021 -1.612 -5.032 1.00 7.99 H new ATOM 0 HB2 GLU B 52 26.128 -4.529 -5.041 1.00 7.73 H new ATOM 0 HB3 GLU B 52 26.987 -3.711 -6.331 1.00 7.73 H new ATOM 0 HG2 GLU B 52 28.852 -4.543 -5.393 1.00 8.39 H new ATOM 0 HG3 GLU B 52 28.671 -3.269 -4.203 1.00 8.39 H new ATOM 2508 N ASP B 53 23.930 -2.017 -4.617 1.00 6.93 N ATOM 2509 CA ASP B 53 22.595 -1.750 -5.150 1.00 6.34 C ATOM 2510 C ASP B 53 22.016 -0.464 -4.568 1.00 5.91 C ATOM 2511 O ASP B 53 20.863 -0.120 -4.828 1.00 5.54 O ATOM 2512 CB ASP B 53 21.651 -2.918 -4.847 1.00 6.55 C ATOM 2513 CG ASP B 53 22.077 -4.207 -5.519 1.00 6.92 C ATOM 2514 OD1 ASP B 53 21.900 -4.333 -6.750 1.00 6.70 O ATOM 2515 OD2 ASP B 53 22.593 -5.104 -4.821 1.00 7.52 O ATOM 0 H ASP B 53 23.968 -2.114 -3.602 1.00 6.93 H new ATOM 0 HA ASP B 53 22.689 -1.633 -6.230 1.00 6.34 H new ATOM 0 HB2 ASP B 53 21.607 -3.073 -3.769 1.00 6.55 H new ATOM 0 HB3 ASP B 53 20.644 -2.659 -5.173 1.00 6.55 H new ATOM 2520 N GLN B 54 22.824 0.250 -3.789 1.00 6.02 N ATOM 2521 CA GLN B 54 22.383 1.493 -3.159 1.00 5.71 C ATOM 2522 C GLN B 54 22.057 2.557 -4.201 1.00 5.50 C ATOM 2523 O GLN B 54 20.966 3.132 -4.187 1.00 5.31 O ATOM 2524 CB GLN B 54 23.439 2.008 -2.181 1.00 5.84 C ATOM 2525 CG GLN B 54 23.470 1.238 -0.869 1.00 6.08 C ATOM 2526 CD GLN B 54 24.407 1.850 0.153 1.00 6.24 C ATOM 2527 OE1 GLN B 54 25.439 2.427 -0.195 1.00 6.57 O ATOM 2528 NE2 GLN B 54 24.050 1.738 1.422 1.00 6.11 N ATOM 0 H GLN B 54 23.788 -0.010 -3.578 1.00 6.02 H new ATOM 0 HA GLN B 54 21.471 1.277 -2.603 1.00 5.71 H new ATOM 0 HB2 GLN B 54 24.420 1.949 -2.652 1.00 5.84 H new ATOM 0 HB3 GLN B 54 23.248 3.061 -1.972 1.00 5.84 H new ATOM 0 HG2 GLN B 54 22.463 1.198 -0.453 1.00 6.08 H new ATOM 0 HG3 GLN B 54 23.775 0.210 -1.064 1.00 6.08 H new ATOM 0 HE21 GLN B 54 23.187 1.252 1.668 1.00 6.11 H new ATOM 0 HE22 GLN B 54 24.637 2.137 2.154 1.00 6.11 H new ATOM 2537 N GLN B 55 22.995 2.811 -5.108 1.00 5.71 N ATOM 2538 CA GLN B 55 22.789 3.795 -6.166 1.00 5.60 C ATOM 2539 C GLN B 55 21.652 3.344 -7.079 1.00 4.67 C ATOM 2540 O GLN B 55 20.930 4.168 -7.644 1.00 4.24 O ATOM 2541 CB GLN B 55 24.079 4.002 -6.967 1.00 6.32 C ATOM 2542 CG GLN B 55 23.921 4.888 -8.197 1.00 6.58 C ATOM 2543 CD GLN B 55 23.401 6.280 -7.877 1.00 6.45 C ATOM 2544 OE1 GLN B 55 23.686 6.838 -6.816 1.00 6.54 O ATOM 2545 NE2 GLN B 55 22.637 6.846 -8.795 1.00 6.35 N ATOM 0 H GLN B 55 23.904 2.350 -5.132 1.00 5.71 H new ATOM 0 HA GLN B 55 22.517 4.749 -5.714 1.00 5.60 H new ATOM 0 HB2 GLN B 55 24.832 4.441 -6.313 1.00 6.32 H new ATOM 0 HB3 GLN B 55 24.457 3.029 -7.281 1.00 6.32 H new ATOM 0 HG2 GLN B 55 24.885 4.975 -8.699 1.00 6.58 H new ATOM 0 HG3 GLN B 55 23.239 4.406 -8.897 1.00 6.58 H new ATOM 0 HE21 GLN B 55 22.426 6.349 -9.660 1.00 6.35 H new ATOM 0 HE22 GLN B 55 22.259 7.780 -8.638 1.00 6.35 H new ATOM 2554 N LEU B 56 21.495 2.029 -7.214 1.00 4.60 N ATOM 2555 CA LEU B 56 20.426 1.465 -8.030 1.00 4.04 C ATOM 2556 C LEU B 56 19.081 1.939 -7.492 1.00 4.15 C ATOM 2557 O LEU B 56 18.248 2.459 -8.234 1.00 4.24 O ATOM 2558 CB LEU B 56 20.488 -0.066 -8.023 1.00 3.86 C ATOM 2559 CG LEU B 56 19.494 -0.766 -8.952 1.00 3.93 C ATOM 2560 CD1 LEU B 56 19.888 -0.564 -10.406 1.00 3.88 C ATOM 2561 CD2 LEU B 56 19.413 -2.247 -8.619 1.00 4.08 C ATOM 0 H LEU B 56 22.095 1.335 -6.768 1.00 4.60 H new ATOM 0 HA LEU B 56 20.548 1.803 -9.059 1.00 4.04 H new ATOM 0 HB2 LEU B 56 21.497 -0.373 -8.299 1.00 3.86 H new ATOM 0 HB3 LEU B 56 20.316 -0.415 -7.005 1.00 3.86 H new ATOM 0 HG LEU B 56 18.509 -0.324 -8.802 1.00 3.93 H new ATOM 0 HD11 LEU B 56 19.169 -1.069 -11.051 1.00 3.88 H new ATOM 0 HD12 LEU B 56 19.896 0.501 -10.636 1.00 3.88 H new ATOM 0 HD13 LEU B 56 20.882 -0.979 -10.575 1.00 3.88 H new ATOM 0 HD21 LEU B 56 18.702 -2.732 -9.288 1.00 4.08 H new ATOM 0 HD22 LEU B 56 20.396 -2.702 -8.742 1.00 4.08 H new ATOM 0 HD23 LEU B 56 19.083 -2.370 -7.588 1.00 4.08 H new ATOM 2573 N LEU B 57 18.891 1.776 -6.187 1.00 4.29 N ATOM 2574 CA LEU B 57 17.665 2.204 -5.527 1.00 4.67 C ATOM 2575 C LEU B 57 17.571 3.727 -5.544 1.00 4.68 C ATOM 2576 O LEU B 57 16.508 4.294 -5.788 1.00 4.66 O ATOM 2577 CB LEU B 57 17.643 1.703 -4.080 1.00 5.46 C ATOM 2578 CG LEU B 57 16.381 0.949 -3.652 1.00 5.72 C ATOM 2579 CD1 LEU B 57 16.310 0.864 -2.136 1.00 6.40 C ATOM 2580 CD2 LEU B 57 15.131 1.615 -4.205 1.00 5.94 C ATOM 0 H LEU B 57 19.575 1.348 -5.563 1.00 4.29 H new ATOM 0 HA LEU B 57 16.813 1.784 -6.062 1.00 4.67 H new ATOM 0 HB2 LEU B 57 18.502 1.049 -3.929 1.00 5.46 H new ATOM 0 HB3 LEU B 57 17.774 2.559 -3.418 1.00 5.46 H new ATOM 0 HG LEU B 57 16.432 -0.060 -4.061 1.00 5.72 H new ATOM 0 HD11 LEU B 57 15.408 0.326 -1.844 1.00 6.40 H new ATOM 0 HD12 LEU B 57 17.186 0.336 -1.760 1.00 6.40 H new ATOM 0 HD13 LEU B 57 16.285 1.870 -1.716 1.00 6.40 H new ATOM 0 HD21 LEU B 57 14.250 1.058 -3.885 1.00 5.94 H new ATOM 0 HD22 LEU B 57 15.069 2.638 -3.833 1.00 5.94 H new ATOM 0 HD23 LEU B 57 15.177 1.627 -5.294 1.00 5.94 H new ATOM 2592 N ARG B 58 18.704 4.372 -5.294 1.00 4.80 N ATOM 2593 CA ARG B 58 18.790 5.830 -5.267 1.00 4.96 C ATOM 2594 C ARG B 58 18.279 6.442 -6.571 1.00 4.70 C ATOM 2595 O ARG B 58 17.401 7.304 -6.558 1.00 4.35 O ATOM 2596 CB ARG B 58 20.237 6.255 -5.022 1.00 5.25 C ATOM 2597 CG ARG B 58 20.426 7.754 -4.897 1.00 5.73 C ATOM 2598 CD ARG B 58 21.878 8.099 -4.635 1.00 6.55 C ATOM 2599 NE ARG B 58 22.086 9.534 -4.482 1.00 7.05 N ATOM 2600 CZ ARG B 58 23.076 10.205 -5.067 1.00 7.71 C ATOM 2601 NH1 ARG B 58 23.906 9.586 -5.897 1.00 8.02 N ATOM 2602 NH2 ARG B 58 23.230 11.500 -4.824 1.00 8.18 N ATOM 0 H ARG B 58 19.589 3.901 -5.104 1.00 4.80 H new ATOM 0 HA ARG B 58 18.159 6.194 -4.456 1.00 4.96 H new ATOM 0 HB2 ARG B 58 20.596 5.777 -4.111 1.00 5.25 H new ATOM 0 HB3 ARG B 58 20.856 5.888 -5.840 1.00 5.25 H new ATOM 0 HG2 ARG B 58 20.092 8.244 -5.812 1.00 5.73 H new ATOM 0 HG3 ARG B 58 19.806 8.136 -4.086 1.00 5.73 H new ATOM 0 HD2 ARG B 58 22.214 7.587 -3.733 1.00 6.55 H new ATOM 0 HD3 ARG B 58 22.491 7.731 -5.458 1.00 6.55 H new ATOM 0 HE ARG B 58 21.436 10.054 -3.893 1.00 7.05 H new ATOM 0 HH11 ARG B 58 23.787 8.591 -6.089 1.00 8.02 H new ATOM 0 HH12 ARG B 58 24.663 10.105 -6.343 1.00 8.02 H new ATOM 0 HH21 ARG B 58 22.591 11.980 -4.190 1.00 8.18 H new ATOM 0 HH22 ARG B 58 23.988 12.016 -5.271 1.00 8.18 H new ATOM 2616 N ASP B 59 18.825 5.986 -7.693 1.00 5.14 N ATOM 2617 CA ASP B 59 18.415 6.493 -9.000 1.00 5.25 C ATOM 2618 C ASP B 59 16.947 6.181 -9.255 1.00 5.09 C ATOM 2619 O ASP B 59 16.219 6.999 -9.816 1.00 5.01 O ATOM 2620 CB ASP B 59 19.282 5.894 -10.110 1.00 6.03 C ATOM 2621 CG ASP B 59 18.814 6.288 -11.500 1.00 6.00 C ATOM 2622 OD1 ASP B 59 18.732 7.498 -11.793 1.00 6.07 O ATOM 2623 OD2 ASP B 59 18.539 5.386 -12.313 1.00 6.01 O ATOM 0 H ASP B 59 19.550 5.269 -7.725 1.00 5.14 H new ATOM 0 HA ASP B 59 18.549 7.575 -9.002 1.00 5.25 H new ATOM 0 HB2 ASP B 59 20.314 6.218 -9.974 1.00 6.03 H new ATOM 0 HB3 ASP B 59 19.275 4.807 -10.024 1.00 6.03 H new ATOM 2628 N SER B 60 16.516 5.002 -8.817 1.00 5.19 N ATOM 2629 CA SER B 60 15.131 4.578 -8.982 1.00 5.23 C ATOM 2630 C SER B 60 14.187 5.527 -8.244 1.00 5.38 C ATOM 2631 O SER B 60 13.081 5.805 -8.713 1.00 5.59 O ATOM 2632 CB SER B 60 14.953 3.142 -8.479 1.00 5.37 C ATOM 2633 OG SER B 60 15.787 2.247 -9.197 1.00 5.26 O ATOM 0 H SER B 60 17.109 4.321 -8.343 1.00 5.19 H new ATOM 0 HA SER B 60 14.883 4.607 -10.043 1.00 5.23 H new ATOM 0 HB2 SER B 60 15.190 3.093 -7.416 1.00 5.37 H new ATOM 0 HB3 SER B 60 13.911 2.841 -8.588 1.00 5.37 H new ATOM 0 HG SER B 60 16.701 2.299 -8.847 1.00 5.26 H new ATOM 2639 N PHE B 61 14.632 6.031 -7.095 1.00 5.36 N ATOM 2640 CA PHE B 61 13.834 6.966 -6.314 1.00 5.54 C ATOM 2641 C PHE B 61 13.615 8.244 -7.104 1.00 5.60 C ATOM 2642 O PHE B 61 12.512 8.777 -7.151 1.00 5.81 O ATOM 2643 CB PHE B 61 14.511 7.288 -4.983 1.00 5.66 C ATOM 2644 CG PHE B 61 14.190 6.304 -3.902 1.00 6.31 C ATOM 2645 CD1 PHE B 61 12.874 5.981 -3.616 1.00 6.46 C ATOM 2646 CD2 PHE B 61 15.199 5.696 -3.177 1.00 6.89 C ATOM 2647 CE1 PHE B 61 12.571 5.073 -2.625 1.00 7.15 C ATOM 2648 CE2 PHE B 61 14.902 4.787 -2.184 1.00 7.61 C ATOM 2649 CZ PHE B 61 13.585 4.473 -1.909 1.00 7.73 C ATOM 0 H PHE B 61 15.539 5.807 -6.687 1.00 5.36 H new ATOM 0 HA PHE B 61 12.872 6.500 -6.103 1.00 5.54 H new ATOM 0 HB2 PHE B 61 15.591 7.316 -5.130 1.00 5.66 H new ATOM 0 HB3 PHE B 61 14.207 8.284 -4.660 1.00 5.66 H new ATOM 0 HD1 PHE B 61 12.076 6.446 -4.176 1.00 6.46 H new ATOM 0 HD2 PHE B 61 16.230 5.936 -3.391 1.00 6.89 H new ATOM 0 HE1 PHE B 61 11.541 4.832 -2.409 1.00 7.15 H new ATOM 0 HE2 PHE B 61 15.698 4.321 -1.622 1.00 7.61 H new ATOM 0 HZ PHE B 61 13.350 3.758 -1.134 1.00 7.73 H new ATOM 2659 N GLN B 62 14.673 8.721 -7.744 1.00 5.57 N ATOM 2660 CA GLN B 62 14.584 9.928 -8.549 1.00 5.90 C ATOM 2661 C GLN B 62 13.726 9.656 -9.780 1.00 6.02 C ATOM 2662 O GLN B 62 12.973 10.517 -10.233 1.00 5.80 O ATOM 2663 CB GLN B 62 15.979 10.411 -8.966 1.00 6.31 C ATOM 2664 CG GLN B 62 16.988 10.449 -7.825 1.00 6.71 C ATOM 2665 CD GLN B 62 16.554 11.325 -6.658 1.00 6.63 C ATOM 2666 OE1 GLN B 62 15.806 12.381 -6.939 1.00 6.49 O flip ATOM 2667 NE2 GLN B 62 16.894 11.055 -5.505 1.00 6.89 N flip ATOM 0 H GLN B 62 15.598 8.292 -7.721 1.00 5.57 H new ATOM 0 HA GLN B 62 14.121 10.715 -7.953 1.00 5.90 H new ATOM 0 HB2 GLN B 62 16.359 9.758 -9.752 1.00 6.31 H new ATOM 0 HB3 GLN B 62 15.893 11.409 -9.395 1.00 6.31 H new ATOM 0 HG2 GLN B 62 17.155 9.434 -7.464 1.00 6.71 H new ATOM 0 HG3 GLN B 62 17.942 10.813 -8.207 1.00 6.71 H new ATOM 0 HE21 GLN B 62 17.471 10.234 -5.322 1.00 6.89 H new ATOM 0 HE22 GLN B 62 16.599 11.653 -4.733 1.00 6.89 H new ATOM 2676 N GLN B 63 13.830 8.433 -10.298 1.00 6.58 N ATOM 2677 CA GLN B 63 13.066 8.019 -11.470 1.00 6.98 C ATOM 2678 C GLN B 63 11.569 8.082 -11.195 1.00 7.01 C ATOM 2679 O GLN B 63 10.805 8.621 -11.999 1.00 7.34 O ATOM 2680 CB GLN B 63 13.430 6.593 -11.889 1.00 7.70 C ATOM 2681 CG GLN B 63 14.800 6.454 -12.529 1.00 7.92 C ATOM 2682 CD GLN B 63 14.952 5.150 -13.287 1.00 8.79 C ATOM 2683 OE1 GLN B 63 13.990 4.635 -13.857 1.00 9.40 O ATOM 2684 NE2 GLN B 63 16.156 4.606 -13.301 1.00 8.92 N ATOM 0 H GLN B 63 14.441 7.709 -9.920 1.00 6.58 H new ATOM 0 HA GLN B 63 13.317 8.708 -12.276 1.00 6.98 H new ATOM 0 HB2 GLN B 63 13.386 5.948 -11.012 1.00 7.70 H new ATOM 0 HB3 GLN B 63 12.678 6.231 -12.589 1.00 7.70 H new ATOM 0 HG2 GLN B 63 14.967 7.289 -13.210 1.00 7.92 H new ATOM 0 HG3 GLN B 63 15.567 6.514 -11.757 1.00 7.92 H new ATOM 0 HE21 GLN B 63 16.928 5.064 -12.816 1.00 8.92 H new ATOM 0 HE22 GLN B 63 16.313 3.728 -13.796 1.00 8.92 H new ATOM 2693 N VAL B 64 11.153 7.532 -10.058 1.00 6.75 N ATOM 2694 CA VAL B 64 9.743 7.516 -9.692 1.00 6.88 C ATOM 2695 C VAL B 64 9.217 8.933 -9.452 1.00 6.48 C ATOM 2696 O VAL B 64 8.039 9.212 -9.689 1.00 6.34 O ATOM 2697 CB VAL B 64 9.472 6.610 -8.462 1.00 7.00 C ATOM 2698 CG1 VAL B 64 9.850 7.289 -7.154 1.00 6.47 C ATOM 2699 CG2 VAL B 64 8.018 6.175 -8.440 1.00 7.57 C ATOM 0 H VAL B 64 11.772 7.093 -9.376 1.00 6.75 H new ATOM 0 HA VAL B 64 9.200 7.090 -10.536 1.00 6.88 H new ATOM 0 HB VAL B 64 10.106 5.729 -8.559 1.00 7.00 H new ATOM 0 HG11 VAL B 64 9.642 6.616 -6.322 1.00 6.47 H new ATOM 0 HG12 VAL B 64 10.912 7.535 -7.165 1.00 6.47 H new ATOM 0 HG13 VAL B 64 9.267 8.202 -7.036 1.00 6.47 H new ATOM 0 HG21 VAL B 64 7.841 5.540 -7.572 1.00 7.57 H new ATOM 0 HG22 VAL B 64 7.376 7.054 -8.383 1.00 7.57 H new ATOM 0 HG23 VAL B 64 7.791 5.618 -9.349 1.00 7.57 H new ATOM 2709 N VAL B 65 10.094 9.830 -9.002 1.00 6.45 N ATOM 2710 CA VAL B 65 9.712 11.219 -8.765 1.00 6.37 C ATOM 2711 C VAL B 65 9.445 11.908 -10.101 1.00 6.93 C ATOM 2712 O VAL B 65 8.528 12.722 -10.229 1.00 7.43 O ATOM 2713 CB VAL B 65 10.802 11.991 -7.986 1.00 6.49 C ATOM 2714 CG1 VAL B 65 10.464 13.473 -7.895 1.00 6.77 C ATOM 2715 CG2 VAL B 65 10.980 11.406 -6.594 1.00 6.40 C ATOM 0 H VAL B 65 11.070 9.619 -8.795 1.00 6.45 H new ATOM 0 HA VAL B 65 8.808 11.220 -8.156 1.00 6.37 H new ATOM 0 HB VAL B 65 11.740 11.888 -8.532 1.00 6.49 H new ATOM 0 HG11 VAL B 65 11.247 13.992 -7.342 1.00 6.77 H new ATOM 0 HG12 VAL B 65 10.390 13.892 -8.899 1.00 6.77 H new ATOM 0 HG13 VAL B 65 9.512 13.598 -7.379 1.00 6.77 H new ATOM 0 HG21 VAL B 65 11.751 11.963 -6.061 1.00 6.40 H new ATOM 0 HG22 VAL B 65 10.040 11.475 -6.047 1.00 6.40 H new ATOM 0 HG23 VAL B 65 11.277 10.360 -6.674 1.00 6.40 H new ATOM 2725 N LYS B 66 10.249 11.560 -11.098 1.00 6.93 N ATOM 2726 CA LYS B 66 10.098 12.119 -12.434 1.00 7.52 C ATOM 2727 C LYS B 66 8.854 11.547 -13.103 1.00 7.28 C ATOM 2728 O LYS B 66 8.251 12.180 -13.973 1.00 7.59 O ATOM 2729 CB LYS B 66 11.333 11.817 -13.286 1.00 8.01 C ATOM 2730 CG LYS B 66 12.590 12.531 -12.817 1.00 8.37 C ATOM 2731 CD LYS B 66 13.836 11.988 -13.501 1.00 8.79 C ATOM 2732 CE LYS B 66 13.861 12.327 -14.985 1.00 9.69 C ATOM 2733 NZ LYS B 66 15.110 11.856 -15.642 1.00 10.21 N ATOM 0 H LYS B 66 11.014 10.892 -11.005 1.00 6.93 H new ATOM 0 HA LYS B 66 9.991 13.200 -12.346 1.00 7.52 H new ATOM 0 HB2 LYS B 66 11.513 10.742 -13.280 1.00 8.01 H new ATOM 0 HB3 LYS B 66 11.129 12.100 -14.319 1.00 8.01 H new ATOM 0 HG2 LYS B 66 12.499 13.598 -13.020 1.00 8.37 H new ATOM 0 HG3 LYS B 66 12.690 12.420 -11.737 1.00 8.37 H new ATOM 0 HD2 LYS B 66 14.723 12.399 -13.019 1.00 8.79 H new ATOM 0 HD3 LYS B 66 13.877 10.906 -13.375 1.00 8.79 H new ATOM 0 HE2 LYS B 66 13.000 11.873 -15.475 1.00 9.69 H new ATOM 0 HE3 LYS B 66 13.769 13.406 -15.112 1.00 9.69 H new ATOM 0 HZ1 LYS B 66 15.087 12.107 -16.651 1.00 10.21 H new ATOM 0 HZ2 LYS B 66 15.931 12.308 -15.191 1.00 10.21 H new ATOM 0 HZ3 LYS B 66 15.186 10.823 -15.543 1.00 10.21 H new ATOM 2747 N LEU B 67 8.484 10.338 -12.692 1.00 6.76 N ATOM 2748 CA LEU B 67 7.311 9.666 -13.231 1.00 6.53 C ATOM 2749 C LEU B 67 6.037 10.311 -12.704 1.00 6.28 C ATOM 2750 O LEU B 67 5.246 10.847 -13.476 1.00 6.36 O ATOM 2751 CB LEU B 67 7.330 8.177 -12.872 1.00 6.25 C ATOM 2752 CG LEU B 67 8.296 7.320 -13.688 1.00 6.32 C ATOM 2753 CD1 LEU B 67 8.377 5.917 -13.110 1.00 5.80 C ATOM 2754 CD2 LEU B 67 7.863 7.272 -15.146 1.00 7.20 C ATOM 0 H LEU B 67 8.985 9.802 -11.983 1.00 6.76 H new ATOM 0 HA LEU B 67 7.332 9.765 -14.316 1.00 6.53 H new ATOM 0 HB2 LEU B 67 7.585 8.078 -11.817 1.00 6.25 H new ATOM 0 HB3 LEU B 67 6.323 7.778 -12.995 1.00 6.25 H new ATOM 0 HG LEU B 67 9.287 7.772 -13.638 1.00 6.32 H new ATOM 0 HD11 LEU B 67 9.069 5.319 -13.703 1.00 5.80 H new ATOM 0 HD12 LEU B 67 8.731 5.968 -12.080 1.00 5.80 H new ATOM 0 HD13 LEU B 67 7.389 5.457 -13.132 1.00 5.80 H new ATOM 0 HD21 LEU B 67 8.562 6.657 -15.713 1.00 7.20 H new ATOM 0 HD22 LEU B 67 6.864 6.842 -15.215 1.00 7.20 H new ATOM 0 HD23 LEU B 67 7.853 8.282 -15.556 1.00 7.20 H new ATOM 2766 N LYS B 68 5.868 10.262 -11.382 1.00 6.08 N ATOM 2767 CA LYS B 68 4.700 10.832 -10.706 1.00 6.00 C ATOM 2768 C LYS B 68 3.417 10.095 -11.089 1.00 5.93 C ATOM 2769 O LYS B 68 2.929 10.205 -12.216 1.00 6.24 O ATOM 2770 CB LYS B 68 4.563 12.328 -11.011 1.00 6.26 C ATOM 2771 CG LYS B 68 5.003 13.230 -9.870 1.00 6.39 C ATOM 2772 CD LYS B 68 4.764 14.693 -10.199 1.00 6.79 C ATOM 2773 CE LYS B 68 5.086 15.587 -9.015 1.00 7.05 C ATOM 2774 NZ LYS B 68 4.828 17.021 -9.310 1.00 7.58 N ATOM 0 H LYS B 68 6.538 9.826 -10.748 1.00 6.08 H new ATOM 0 HA LYS B 68 4.855 10.709 -9.634 1.00 6.00 H new ATOM 0 HB2 LYS B 68 5.153 12.564 -11.897 1.00 6.26 H new ATOM 0 HB3 LYS B 68 3.523 12.546 -11.254 1.00 6.26 H new ATOM 0 HG2 LYS B 68 4.458 12.965 -8.964 1.00 6.39 H new ATOM 0 HG3 LYS B 68 6.061 13.070 -9.664 1.00 6.39 H new ATOM 0 HD2 LYS B 68 5.379 14.981 -11.052 1.00 6.79 H new ATOM 0 HD3 LYS B 68 3.724 14.836 -10.493 1.00 6.79 H new ATOM 0 HE2 LYS B 68 4.488 15.281 -8.157 1.00 7.05 H new ATOM 0 HE3 LYS B 68 6.132 15.457 -8.737 1.00 7.05 H new ATOM 0 HZ1 LYS B 68 4.880 17.572 -8.429 1.00 7.58 H new ATOM 0 HZ2 LYS B 68 5.542 17.371 -9.980 1.00 7.58 H new ATOM 0 HZ3 LYS B 68 3.881 17.125 -9.727 1.00 7.58 H new ATOM 2788 N GLY B 69 2.875 9.339 -10.144 1.00 5.57 N ATOM 2789 CA GLY B 69 1.651 8.600 -10.394 1.00 5.53 C ATOM 2790 C GLY B 69 1.898 7.328 -11.168 1.00 5.28 C ATOM 2791 O GLY B 69 0.967 6.716 -11.692 1.00 5.43 O ATOM 0 H GLY B 69 3.261 9.223 -9.207 1.00 5.57 H new ATOM 0 HA2 GLY B 69 1.175 8.358 -9.444 1.00 5.53 H new ATOM 0 HA3 GLY B 69 0.955 9.230 -10.948 1.00 5.53 H new ATOM 2795 N GLN B 70 3.156 6.938 -11.239 1.00 4.96 N ATOM 2796 CA GLN B 70 3.554 5.735 -11.942 1.00 4.76 C ATOM 2797 C GLN B 70 4.344 4.842 -10.999 1.00 4.34 C ATOM 2798 O GLN B 70 4.900 5.321 -10.007 1.00 3.78 O ATOM 2799 CB GLN B 70 4.396 6.093 -13.167 1.00 4.98 C ATOM 2800 CG GLN B 70 3.756 5.716 -14.497 1.00 5.08 C ATOM 2801 CD GLN B 70 2.242 5.807 -14.480 1.00 5.18 C ATOM 2802 OE1 GLN B 70 1.553 4.814 -14.245 1.00 5.27 O ATOM 2803 NE2 GLN B 70 1.716 6.997 -14.720 1.00 5.43 N ATOM 0 H GLN B 70 3.930 7.446 -10.811 1.00 4.96 H new ATOM 0 HA GLN B 70 2.666 5.203 -12.282 1.00 4.76 H new ATOM 0 HB2 GLN B 70 4.589 7.166 -13.161 1.00 4.98 H new ATOM 0 HB3 GLN B 70 5.362 5.595 -13.088 1.00 4.98 H new ATOM 0 HG2 GLN B 70 4.144 6.370 -15.278 1.00 5.08 H new ATOM 0 HG3 GLN B 70 4.049 4.699 -14.758 1.00 5.08 H new ATOM 0 HE21 GLN B 70 2.323 7.794 -14.910 1.00 5.43 H new ATOM 0 HE22 GLN B 70 0.703 7.117 -14.715 1.00 5.43 H new ATOM 2812 N VAL B 71 4.389 3.553 -11.294 1.00 4.77 N ATOM 2813 CA VAL B 71 5.110 2.618 -10.448 1.00 4.57 C ATOM 2814 C VAL B 71 6.397 2.144 -11.123 1.00 4.76 C ATOM 2815 O VAL B 71 6.427 1.864 -12.326 1.00 5.54 O ATOM 2816 CB VAL B 71 4.226 1.406 -10.059 1.00 5.23 C ATOM 2817 CG1 VAL B 71 3.866 0.573 -11.275 1.00 5.54 C ATOM 2818 CG2 VAL B 71 4.910 0.550 -9.006 1.00 5.65 C ATOM 0 H VAL B 71 3.938 3.133 -12.107 1.00 4.77 H new ATOM 0 HA VAL B 71 5.376 3.148 -9.534 1.00 4.57 H new ATOM 0 HB VAL B 71 3.301 1.796 -9.634 1.00 5.23 H new ATOM 0 HG11 VAL B 71 3.246 -0.269 -10.968 1.00 5.54 H new ATOM 0 HG12 VAL B 71 3.316 1.188 -11.988 1.00 5.54 H new ATOM 0 HG13 VAL B 71 4.777 0.201 -11.744 1.00 5.54 H new ATOM 0 HG21 VAL B 71 4.269 -0.294 -8.750 1.00 5.65 H new ATOM 0 HG22 VAL B 71 5.858 0.180 -9.397 1.00 5.65 H new ATOM 0 HG23 VAL B 71 5.095 1.149 -8.114 1.00 5.65 H new ATOM 2828 N LEU B 72 7.467 2.097 -10.348 1.00 4.15 N ATOM 2829 CA LEU B 72 8.756 1.652 -10.842 1.00 4.35 C ATOM 2830 C LEU B 72 9.259 0.486 -10.003 1.00 4.51 C ATOM 2831 O LEU B 72 9.575 0.647 -8.822 1.00 4.34 O ATOM 2832 CB LEU B 72 9.770 2.794 -10.812 1.00 3.90 C ATOM 2833 CG LEU B 72 11.083 2.505 -11.540 1.00 3.93 C ATOM 2834 CD1 LEU B 72 10.931 2.746 -13.034 1.00 4.31 C ATOM 2835 CD2 LEU B 72 12.202 3.358 -10.974 1.00 4.11 C ATOM 0 H LEU B 72 7.466 2.365 -9.364 1.00 4.15 H new ATOM 0 HA LEU B 72 8.636 1.325 -11.875 1.00 4.35 H new ATOM 0 HB2 LEU B 72 9.313 3.679 -11.255 1.00 3.90 H new ATOM 0 HB3 LEU B 72 9.993 3.036 -9.773 1.00 3.90 H new ATOM 0 HG LEU B 72 11.338 1.456 -11.387 1.00 3.93 H new ATOM 0 HD11 LEU B 72 11.876 2.535 -13.535 1.00 4.31 H new ATOM 0 HD12 LEU B 72 10.156 2.091 -13.431 1.00 4.31 H new ATOM 0 HD13 LEU B 72 10.652 3.785 -13.208 1.00 4.31 H new ATOM 0 HD21 LEU B 72 13.129 3.140 -11.503 1.00 4.11 H new ATOM 0 HD22 LEU B 72 11.954 4.412 -11.097 1.00 4.11 H new ATOM 0 HD23 LEU B 72 12.328 3.136 -9.914 1.00 4.11 H new ATOM 2847 N SER B 73 9.304 -0.687 -10.606 1.00 5.01 N ATOM 2848 CA SER B 73 9.764 -1.878 -9.920 1.00 5.35 C ATOM 2849 C SER B 73 11.275 -2.047 -10.068 1.00 5.09 C ATOM 2850 O SER B 73 11.786 -2.200 -11.177 1.00 5.62 O ATOM 2851 CB SER B 73 9.031 -3.102 -10.472 1.00 6.05 C ATOM 2852 OG SER B 73 8.603 -2.876 -11.808 1.00 6.35 O ATOM 0 H SER B 73 9.026 -0.840 -11.575 1.00 5.01 H new ATOM 0 HA SER B 73 9.544 -1.776 -8.857 1.00 5.35 H new ATOM 0 HB2 SER B 73 9.689 -3.971 -10.438 1.00 6.05 H new ATOM 0 HB3 SER B 73 8.170 -3.330 -9.843 1.00 6.05 H new ATOM 0 HG SER B 73 7.629 -2.973 -11.860 1.00 6.35 H new ATOM 2858 N VAL B 74 11.985 -1.999 -8.953 1.00 4.34 N ATOM 2859 CA VAL B 74 13.432 -2.162 -8.958 1.00 4.11 C ATOM 2860 C VAL B 74 13.812 -3.422 -8.184 1.00 3.81 C ATOM 2861 O VAL B 74 13.254 -3.695 -7.118 1.00 3.69 O ATOM 2862 CB VAL B 74 14.149 -0.921 -8.364 1.00 3.94 C ATOM 2863 CG1 VAL B 74 13.658 -0.622 -6.956 1.00 3.77 C ATOM 2864 CG2 VAL B 74 15.659 -1.109 -8.375 1.00 3.75 C ATOM 0 H VAL B 74 11.582 -1.848 -8.028 1.00 4.34 H new ATOM 0 HA VAL B 74 13.759 -2.262 -9.993 1.00 4.11 H new ATOM 0 HB VAL B 74 13.905 -0.066 -8.994 1.00 3.94 H new ATOM 0 HG11 VAL B 74 14.179 0.253 -6.567 1.00 3.77 H new ATOM 0 HG12 VAL B 74 12.586 -0.426 -6.979 1.00 3.77 H new ATOM 0 HG13 VAL B 74 13.856 -1.479 -6.312 1.00 3.77 H new ATOM 0 HG21 VAL B 74 16.139 -0.226 -7.954 1.00 3.75 H new ATOM 0 HG22 VAL B 74 15.921 -1.983 -7.779 1.00 3.75 H new ATOM 0 HG23 VAL B 74 16.000 -1.253 -9.400 1.00 3.75 H new ATOM 2874 N MET B 75 14.729 -4.203 -8.735 1.00 3.91 N ATOM 2875 CA MET B 75 15.162 -5.432 -8.090 1.00 3.74 C ATOM 2876 C MET B 75 16.562 -5.283 -7.507 1.00 3.48 C ATOM 2877 O MET B 75 17.551 -5.184 -8.237 1.00 3.88 O ATOM 2878 CB MET B 75 15.129 -6.600 -9.076 1.00 4.24 C ATOM 2879 CG MET B 75 15.267 -7.955 -8.400 1.00 4.67 C ATOM 2880 SD MET B 75 15.241 -9.326 -9.568 1.00 5.41 S ATOM 2881 CE MET B 75 15.254 -10.718 -8.443 1.00 5.42 C ATOM 0 H MET B 75 15.186 -4.008 -9.625 1.00 3.91 H new ATOM 0 HA MET B 75 14.469 -5.639 -7.274 1.00 3.74 H new ATOM 0 HB2 MET B 75 14.192 -6.572 -9.632 1.00 4.24 H new ATOM 0 HB3 MET B 75 15.934 -6.479 -9.801 1.00 4.24 H new ATOM 0 HG2 MET B 75 16.200 -7.981 -7.837 1.00 4.67 H new ATOM 0 HG3 MET B 75 14.457 -8.081 -7.681 1.00 4.67 H new ATOM 0 HE1 MET B 75 15.062 -11.636 -8.998 1.00 5.42 H new ATOM 0 HE2 MET B 75 16.228 -10.784 -7.957 1.00 5.42 H new ATOM 0 HE3 MET B 75 14.480 -10.582 -7.687 1.00 5.42 H new ATOM 2891 N PHE B 76 16.634 -5.271 -6.190 1.00 3.08 N ATOM 2892 CA PHE B 76 17.900 -5.143 -5.486 1.00 3.15 C ATOM 2893 C PHE B 76 17.926 -6.118 -4.321 1.00 3.14 C ATOM 2894 O PHE B 76 16.973 -6.868 -4.118 1.00 3.00 O ATOM 2895 CB PHE B 76 18.095 -3.704 -4.986 1.00 3.19 C ATOM 2896 CG PHE B 76 17.068 -3.263 -3.980 1.00 3.34 C ATOM 2897 CD1 PHE B 76 15.832 -2.793 -4.391 1.00 3.27 C ATOM 2898 CD2 PHE B 76 17.339 -3.323 -2.622 1.00 3.47 C ATOM 2899 CE1 PHE B 76 14.887 -2.394 -3.468 1.00 3.36 C ATOM 2900 CE2 PHE B 76 16.397 -2.926 -1.695 1.00 3.54 C ATOM 2901 CZ PHE B 76 15.169 -2.461 -2.117 1.00 2.78 C ATOM 0 H PHE B 76 15.822 -5.349 -5.578 1.00 3.08 H new ATOM 0 HA PHE B 76 18.716 -5.376 -6.170 1.00 3.15 H new ATOM 0 HB2 PHE B 76 19.086 -3.616 -4.541 1.00 3.19 H new ATOM 0 HB3 PHE B 76 18.067 -3.027 -5.839 1.00 3.19 H new ATOM 0 HD1 PHE B 76 15.605 -2.738 -5.445 1.00 3.27 H new ATOM 0 HD2 PHE B 76 18.299 -3.685 -2.285 1.00 3.47 H new ATOM 0 HE1 PHE B 76 13.927 -2.029 -3.802 1.00 3.36 H new ATOM 0 HE2 PHE B 76 16.621 -2.979 -0.640 1.00 3.54 H new ATOM 0 HZ PHE B 76 14.430 -2.150 -1.393 1.00 2.78 H new ATOM 2911 N ARG B 77 19.004 -6.118 -3.558 1.00 3.59 N ATOM 2912 CA ARG B 77 19.106 -7.008 -2.416 1.00 3.88 C ATOM 2913 C ARG B 77 18.948 -6.233 -1.117 1.00 4.20 C ATOM 2914 O ARG B 77 19.693 -5.291 -0.844 1.00 4.62 O ATOM 2915 CB ARG B 77 20.426 -7.779 -2.433 1.00 4.60 C ATOM 2916 CG ARG B 77 20.317 -9.109 -3.158 1.00 4.59 C ATOM 2917 CD ARG B 77 21.580 -9.937 -3.017 1.00 5.39 C ATOM 2918 NE ARG B 77 22.627 -9.510 -3.941 1.00 5.55 N ATOM 2919 CZ ARG B 77 23.799 -10.127 -4.072 1.00 6.25 C ATOM 2920 NH1 ARG B 77 24.057 -11.222 -3.371 1.00 6.80 N ATOM 2921 NH2 ARG B 77 24.702 -9.654 -4.922 1.00 6.51 N ATOM 0 H ARG B 77 19.815 -5.517 -3.706 1.00 3.59 H new ATOM 0 HA ARG B 77 18.296 -7.735 -2.482 1.00 3.88 H new ATOM 0 HB2 ARG B 77 21.192 -7.170 -2.913 1.00 4.60 H new ATOM 0 HB3 ARG B 77 20.753 -7.954 -1.408 1.00 4.60 H new ATOM 0 HG2 ARG B 77 19.470 -9.669 -2.762 1.00 4.59 H new ATOM 0 HG3 ARG B 77 20.116 -8.931 -4.214 1.00 4.59 H new ATOM 0 HD2 ARG B 77 21.949 -9.863 -1.994 1.00 5.39 H new ATOM 0 HD3 ARG B 77 21.346 -10.986 -3.196 1.00 5.39 H new ATOM 0 HE ARG B 77 22.450 -8.690 -4.521 1.00 5.55 H new ATOM 0 HH11 ARG B 77 23.357 -11.594 -2.729 1.00 6.80 H new ATOM 0 HH12 ARG B 77 24.956 -11.693 -3.473 1.00 6.80 H new ATOM 0 HH21 ARG B 77 24.497 -8.820 -5.472 1.00 6.51 H new ATOM 0 HH22 ARG B 77 25.601 -10.124 -5.025 1.00 6.51 H new ATOM 2935 N PHE B 78 17.965 -6.632 -0.329 1.00 4.21 N ATOM 2936 CA PHE B 78 17.680 -5.984 0.939 1.00 4.81 C ATOM 2937 C PHE B 78 18.190 -6.845 2.087 1.00 5.56 C ATOM 2938 O PHE B 78 18.264 -8.071 1.964 1.00 5.79 O ATOM 2939 CB PHE B 78 16.171 -5.755 1.072 1.00 4.67 C ATOM 2940 CG PHE B 78 15.789 -4.695 2.070 1.00 4.78 C ATOM 2941 CD1 PHE B 78 16.103 -3.366 1.843 1.00 5.01 C ATOM 2942 CD2 PHE B 78 15.109 -5.030 3.229 1.00 4.79 C ATOM 2943 CE1 PHE B 78 15.746 -2.391 2.753 1.00 5.19 C ATOM 2944 CE2 PHE B 78 14.747 -4.059 4.144 1.00 5.05 C ATOM 2945 CZ PHE B 78 15.067 -2.738 3.905 1.00 5.22 C ATOM 0 H PHE B 78 17.344 -7.411 -0.549 1.00 4.21 H new ATOM 0 HA PHE B 78 18.187 -5.020 0.975 1.00 4.81 H new ATOM 0 HB2 PHE B 78 15.770 -5.480 0.096 1.00 4.67 H new ATOM 0 HB3 PHE B 78 15.697 -6.694 1.358 1.00 4.67 H new ATOM 0 HD1 PHE B 78 16.633 -3.089 0.944 1.00 5.01 H new ATOM 0 HD2 PHE B 78 14.858 -6.063 3.420 1.00 4.79 H new ATOM 0 HE1 PHE B 78 15.997 -1.358 2.564 1.00 5.19 H new ATOM 0 HE2 PHE B 78 14.215 -4.333 5.043 1.00 5.05 H new ATOM 0 HZ PHE B 78 14.787 -1.976 4.618 1.00 5.22 H new ATOM 2955 N ARG B 79 18.560 -6.204 3.183 1.00 6.05 N ATOM 2956 CA ARG B 79 19.062 -6.909 4.348 1.00 6.84 C ATOM 2957 C ARG B 79 17.917 -7.280 5.280 1.00 6.93 C ATOM 2958 O ARG B 79 17.036 -6.463 5.552 1.00 7.29 O ATOM 2959 CB ARG B 79 20.077 -6.039 5.090 1.00 7.82 C ATOM 2960 CG ARG B 79 21.046 -6.826 5.956 1.00 8.65 C ATOM 2961 CD ARG B 79 22.044 -5.910 6.647 1.00 9.63 C ATOM 2962 NE ARG B 79 21.415 -5.121 7.704 1.00 10.06 N ATOM 2963 CZ ARG B 79 21.479 -3.792 7.786 1.00 10.62 C ATOM 2964 NH1 ARG B 79 22.165 -3.090 6.888 1.00 10.80 N ATOM 2965 NH2 ARG B 79 20.857 -3.162 8.771 1.00 11.08 N ATOM 0 H ARG B 79 18.521 -5.190 3.289 1.00 6.05 H new ATOM 0 HA ARG B 79 19.552 -7.824 4.015 1.00 6.84 H new ATOM 0 HB2 ARG B 79 20.644 -5.459 4.362 1.00 7.82 H new ATOM 0 HB3 ARG B 79 19.541 -5.327 5.717 1.00 7.82 H new ATOM 0 HG2 ARG B 79 20.491 -7.391 6.704 1.00 8.65 H new ATOM 0 HG3 ARG B 79 21.580 -7.550 5.341 1.00 8.65 H new ATOM 0 HD2 ARG B 79 22.852 -6.506 7.071 1.00 9.63 H new ATOM 0 HD3 ARG B 79 22.493 -5.241 5.912 1.00 9.63 H new ATOM 0 HE ARG B 79 20.894 -5.619 8.425 1.00 10.06 H new ATOM 0 HH11 ARG B 79 22.648 -3.568 6.128 1.00 10.80 H new ATOM 0 HH12 ARG B 79 22.208 -2.073 6.960 1.00 10.80 H new ATOM 0 HH21 ARG B 79 20.331 -3.694 9.464 1.00 11.08 H new ATOM 0 HH22 ARG B 79 20.904 -2.145 8.836 1.00 11.08 H new ATOM 2979 N SER B 80 17.923 -8.515 5.749 1.00 6.76 N ATOM 2980 CA SER B 80 16.895 -8.986 6.657 1.00 7.04 C ATOM 2981 C SER B 80 17.348 -8.803 8.101 1.00 7.47 C ATOM 2982 O SER B 80 18.427 -8.264 8.357 1.00 7.38 O ATOM 2983 CB SER B 80 16.605 -10.462 6.391 1.00 6.83 C ATOM 2984 OG SER B 80 17.698 -11.274 6.788 1.00 7.21 O ATOM 0 H SER B 80 18.631 -9.211 5.515 1.00 6.76 H new ATOM 0 HA SER B 80 15.987 -8.406 6.493 1.00 7.04 H new ATOM 0 HB2 SER B 80 15.708 -10.763 6.932 1.00 6.83 H new ATOM 0 HB3 SER B 80 16.403 -10.611 5.330 1.00 6.83 H new ATOM 0 HG SER B 80 17.362 -12.089 7.216 1.00 7.21 H new ATOM 2990 N LYS B 81 16.530 -9.263 9.041 1.00 8.04 N ATOM 2991 CA LYS B 81 16.865 -9.175 10.457 1.00 8.55 C ATOM 2992 C LYS B 81 18.001 -10.151 10.772 1.00 8.41 C ATOM 2993 O LYS B 81 18.654 -10.062 11.812 1.00 8.72 O ATOM 2994 CB LYS B 81 15.629 -9.481 11.313 1.00 9.27 C ATOM 2995 CG LYS B 81 15.829 -9.246 12.805 1.00 10.06 C ATOM 2996 CD LYS B 81 16.118 -7.785 13.118 1.00 10.72 C ATOM 2997 CE LYS B 81 16.371 -7.578 14.601 1.00 11.62 C ATOM 2998 NZ LYS B 81 16.689 -6.162 14.923 1.00 12.24 N ATOM 0 H LYS B 81 15.629 -9.701 8.848 1.00 8.04 H new ATOM 0 HA LYS B 81 17.195 -8.163 10.691 1.00 8.55 H new ATOM 0 HB2 LYS B 81 14.800 -8.864 10.967 1.00 9.27 H new ATOM 0 HB3 LYS B 81 15.340 -10.520 11.156 1.00 9.27 H new ATOM 0 HG2 LYS B 81 14.937 -9.563 13.345 1.00 10.06 H new ATOM 0 HG3 LYS B 81 16.653 -9.863 13.162 1.00 10.06 H new ATOM 0 HD2 LYS B 81 16.987 -7.454 12.549 1.00 10.72 H new ATOM 0 HD3 LYS B 81 15.276 -7.170 12.801 1.00 10.72 H new ATOM 0 HE2 LYS B 81 15.491 -7.889 15.165 1.00 11.62 H new ATOM 0 HE3 LYS B 81 17.196 -8.216 14.920 1.00 11.62 H new ATOM 0 HZ1 LYS B 81 16.854 -6.067 15.945 1.00 12.24 H new ATOM 0 HZ2 LYS B 81 17.543 -5.872 14.406 1.00 12.24 H new ATOM 0 HZ3 LYS B 81 15.892 -5.555 14.643 1.00 12.24 H new ATOM 3012 N ASN B 82 18.237 -11.070 9.841 1.00 8.00 N ATOM 3013 CA ASN B 82 19.295 -12.065 9.978 1.00 7.89 C ATOM 3014 C ASN B 82 20.570 -11.542 9.334 1.00 7.36 C ATOM 3015 O ASN B 82 21.590 -12.233 9.295 1.00 7.24 O ATOM 3016 CB ASN B 82 18.891 -13.379 9.299 1.00 7.92 C ATOM 3017 CG ASN B 82 17.563 -13.920 9.786 1.00 8.51 C ATOM 3018 OD1 ASN B 82 17.269 -13.908 10.982 1.00 9.25 O ATOM 3019 ND2 ASN B 82 16.744 -14.386 8.856 1.00 8.28 N ATOM 0 H ASN B 82 17.704 -11.146 8.975 1.00 8.00 H new ATOM 0 HA ASN B 82 19.461 -12.252 11.039 1.00 7.89 H new ATOM 0 HB2 ASN B 82 18.839 -13.222 8.222 1.00 7.92 H new ATOM 0 HB3 ASN B 82 19.666 -14.125 9.475 1.00 7.92 H new ATOM 0 HD21 ASN B 82 15.830 -14.754 9.119 1.00 8.28 H new ATOM 0 HD22 ASN B 82 17.027 -14.377 7.876 1.00 8.28 H new ATOM 3026 N GLN B 83 20.481 -10.316 8.812 1.00 7.14 N ATOM 3027 CA GLN B 83 21.595 -9.647 8.141 1.00 6.77 C ATOM 3028 C GLN B 83 21.958 -10.351 6.837 1.00 6.51 C ATOM 3029 O GLN B 83 23.075 -10.218 6.336 1.00 6.48 O ATOM 3030 CB GLN B 83 22.818 -9.548 9.059 1.00 7.42 C ATOM 3031 CG GLN B 83 22.980 -8.184 9.711 1.00 7.60 C ATOM 3032 CD GLN B 83 21.765 -7.773 10.521 1.00 7.62 C ATOM 3033 OE1 GLN B 83 20.873 -7.083 10.025 1.00 7.12 O ATOM 3034 NE2 GLN B 83 21.722 -8.204 11.770 1.00 8.30 N ATOM 0 H GLN B 83 19.628 -9.757 8.844 1.00 7.14 H new ATOM 0 HA GLN B 83 21.270 -8.635 7.900 1.00 6.77 H new ATOM 0 HB2 GLN B 83 22.740 -10.307 9.838 1.00 7.42 H new ATOM 0 HB3 GLN B 83 23.715 -9.775 8.482 1.00 7.42 H new ATOM 0 HG2 GLN B 83 23.856 -8.198 10.360 1.00 7.60 H new ATOM 0 HG3 GLN B 83 23.167 -7.437 8.939 1.00 7.60 H new ATOM 0 HE21 GLN B 83 22.483 -8.773 12.140 1.00 8.30 H new ATOM 0 HE22 GLN B 83 20.927 -7.967 12.364 1.00 8.30 H new ATOM 3043 N GLU B 84 21.004 -11.088 6.285 1.00 6.48 N ATOM 3044 CA GLU B 84 21.219 -11.796 5.033 1.00 6.41 C ATOM 3045 C GLU B 84 20.729 -10.936 3.872 1.00 6.26 C ATOM 3046 O GLU B 84 19.898 -10.044 4.063 1.00 6.30 O ATOM 3047 CB GLU B 84 20.493 -13.148 5.046 1.00 6.62 C ATOM 3048 CG GLU B 84 19.027 -13.064 4.642 1.00 6.46 C ATOM 3049 CD GLU B 84 18.189 -14.173 5.238 1.00 6.60 C ATOM 3050 OE1 GLU B 84 18.261 -15.315 4.740 1.00 6.74 O ATOM 3051 OE2 GLU B 84 17.448 -13.904 6.208 1.00 6.78 O ATOM 0 H GLU B 84 20.074 -11.210 6.685 1.00 6.48 H new ATOM 0 HA GLU B 84 22.285 -11.988 4.910 1.00 6.41 H new ATOM 0 HB2 GLU B 84 21.007 -13.832 4.371 1.00 6.62 H new ATOM 0 HB3 GLU B 84 20.560 -13.576 6.046 1.00 6.62 H new ATOM 0 HG2 GLU B 84 18.623 -12.101 4.956 1.00 6.46 H new ATOM 0 HG3 GLU B 84 18.952 -13.102 3.555 1.00 6.46 H new ATOM 3058 N TRP B 85 21.247 -11.190 2.682 1.00 6.19 N ATOM 3059 CA TRP B 85 20.852 -10.432 1.509 1.00 6.19 C ATOM 3060 C TRP B 85 19.822 -11.198 0.691 1.00 6.20 C ATOM 3061 O TRP B 85 20.101 -12.287 0.183 1.00 6.38 O ATOM 3062 CB TRP B 85 22.070 -10.113 0.642 1.00 6.55 C ATOM 3063 CG TRP B 85 23.081 -9.251 1.333 1.00 6.95 C ATOM 3064 CD1 TRP B 85 24.357 -9.595 1.673 1.00 7.63 C ATOM 3065 CD2 TRP B 85 22.896 -7.903 1.775 1.00 6.78 C ATOM 3066 NE1 TRP B 85 24.978 -8.541 2.298 1.00 7.89 N ATOM 3067 CE2 TRP B 85 24.102 -7.490 2.373 1.00 7.40 C ATOM 3068 CE3 TRP B 85 21.830 -7.005 1.722 1.00 6.23 C ATOM 3069 CZ2 TRP B 85 24.267 -6.218 2.913 1.00 7.53 C ATOM 3070 CZ3 TRP B 85 21.995 -5.744 2.257 1.00 6.39 C ATOM 3071 CH2 TRP B 85 23.205 -5.359 2.845 1.00 7.05 C ATOM 0 H TRP B 85 21.942 -11.915 2.504 1.00 6.19 H new ATOM 0 HA TRP B 85 20.404 -9.498 1.848 1.00 6.19 H new ATOM 0 HB2 TRP B 85 22.545 -11.046 0.338 1.00 6.55 H new ATOM 0 HB3 TRP B 85 21.738 -9.613 -0.268 1.00 6.55 H new ATOM 0 HD1 TRP B 85 24.812 -10.555 1.479 1.00 7.63 H new ATOM 0 HE1 TRP B 85 25.936 -8.541 2.649 1.00 7.89 H new ATOM 0 HE3 TRP B 85 20.892 -7.292 1.270 1.00 6.23 H new ATOM 0 HZ2 TRP B 85 25.200 -5.920 3.369 1.00 7.53 H new ATOM 0 HZ3 TRP B 85 21.176 -5.041 2.221 1.00 6.39 H new ATOM 0 HH2 TRP B 85 23.302 -4.364 3.253 1.00 7.05 H new ATOM 3082 N LEU B 86 18.627 -10.639 0.586 1.00 6.05 N ATOM 3083 CA LEU B 86 17.561 -11.260 -0.182 1.00 6.08 C ATOM 3084 C LEU B 86 17.128 -10.337 -1.315 1.00 5.83 C ATOM 3085 O LEU B 86 17.149 -9.114 -1.176 1.00 5.96 O ATOM 3086 CB LEU B 86 16.370 -11.613 0.720 1.00 6.32 C ATOM 3087 CG LEU B 86 15.984 -10.553 1.753 1.00 6.76 C ATOM 3088 CD1 LEU B 86 14.948 -9.598 1.184 1.00 6.60 C ATOM 3089 CD2 LEU B 86 15.458 -11.213 3.017 1.00 6.97 C ATOM 0 H LEU B 86 18.371 -9.754 1.024 1.00 6.05 H new ATOM 0 HA LEU B 86 17.938 -12.188 -0.613 1.00 6.08 H new ATOM 0 HB2 LEU B 86 15.504 -11.810 0.087 1.00 6.32 H new ATOM 0 HB3 LEU B 86 16.598 -12.540 1.246 1.00 6.32 H new ATOM 0 HG LEU B 86 16.876 -9.979 2.004 1.00 6.76 H new ATOM 0 HD11 LEU B 86 14.688 -8.853 1.936 1.00 6.60 H new ATOM 0 HD12 LEU B 86 15.357 -9.100 0.305 1.00 6.60 H new ATOM 0 HD13 LEU B 86 14.055 -10.156 0.902 1.00 6.60 H new ATOM 0 HD21 LEU B 86 15.188 -10.446 3.743 1.00 6.97 H new ATOM 0 HD22 LEU B 86 14.579 -11.811 2.776 1.00 6.97 H new ATOM 0 HD23 LEU B 86 16.230 -11.856 3.440 1.00 6.97 H new ATOM 3101 N TRP B 87 16.749 -10.923 -2.438 1.00 5.64 N ATOM 3102 CA TRP B 87 16.326 -10.152 -3.596 1.00 5.53 C ATOM 3103 C TRP B 87 14.918 -9.613 -3.400 1.00 4.89 C ATOM 3104 O TRP B 87 13.964 -10.374 -3.216 1.00 4.93 O ATOM 3105 CB TRP B 87 16.404 -10.999 -4.863 1.00 6.09 C ATOM 3106 CG TRP B 87 17.810 -11.249 -5.305 1.00 6.88 C ATOM 3107 CD1 TRP B 87 18.572 -12.346 -5.033 1.00 7.60 C ATOM 3108 CD2 TRP B 87 18.628 -10.374 -6.086 1.00 7.12 C ATOM 3109 NE1 TRP B 87 19.815 -12.206 -5.598 1.00 8.31 N ATOM 3110 CE2 TRP B 87 19.873 -11.005 -6.252 1.00 8.03 C ATOM 3111 CE3 TRP B 87 18.426 -9.118 -6.662 1.00 6.72 C ATOM 3112 CZ2 TRP B 87 20.913 -10.421 -6.968 1.00 8.55 C ATOM 3113 CZ3 TRP B 87 19.457 -8.540 -7.373 1.00 7.21 C ATOM 3114 CH2 TRP B 87 20.687 -9.191 -7.522 1.00 8.12 C ATOM 0 H TRP B 87 16.725 -11.934 -2.573 1.00 5.64 H new ATOM 0 HA TRP B 87 17.003 -9.305 -3.706 1.00 5.53 H new ATOM 0 HB2 TRP B 87 15.907 -11.953 -4.688 1.00 6.09 H new ATOM 0 HB3 TRP B 87 15.859 -10.498 -5.664 1.00 6.09 H new ATOM 0 HD1 TRP B 87 18.246 -13.200 -4.458 1.00 7.60 H new ATOM 0 HE1 TRP B 87 20.573 -12.887 -5.540 1.00 8.31 H new ATOM 0 HE3 TRP B 87 17.480 -8.609 -6.553 1.00 6.72 H new ATOM 0 HZ2 TRP B 87 21.864 -10.920 -7.082 1.00 8.55 H new ATOM 0 HZ3 TRP B 87 19.313 -7.569 -7.822 1.00 7.21 H new ATOM 0 HH2 TRP B 87 21.474 -8.712 -8.086 1.00 8.12 H new ATOM 3125 N MET B 88 14.801 -8.300 -3.448 1.00 4.38 N ATOM 3126 CA MET B 88 13.529 -7.632 -3.257 1.00 3.86 C ATOM 3127 C MET B 88 13.144 -6.820 -4.487 1.00 4.20 C ATOM 3128 O MET B 88 13.941 -6.034 -5.001 1.00 4.46 O ATOM 3129 CB MET B 88 13.610 -6.707 -2.042 1.00 3.90 C ATOM 3130 CG MET B 88 12.283 -6.070 -1.668 1.00 3.23 C ATOM 3131 SD MET B 88 11.297 -7.114 -0.578 1.00 2.82 S ATOM 3132 CE MET B 88 12.266 -7.041 0.927 1.00 3.18 C ATOM 0 H MET B 88 15.583 -7.668 -3.620 1.00 4.38 H new ATOM 0 HA MET B 88 12.766 -8.394 -3.094 1.00 3.86 H new ATOM 0 HB2 MET B 88 13.983 -7.274 -1.189 1.00 3.90 H new ATOM 0 HB3 MET B 88 14.336 -5.920 -2.244 1.00 3.90 H new ATOM 0 HG2 MET B 88 12.468 -5.113 -1.179 1.00 3.23 H new ATOM 0 HG3 MET B 88 11.716 -5.860 -2.575 1.00 3.23 H new ATOM 0 HE1 MET B 88 12.587 -8.046 1.202 1.00 3.18 H new ATOM 0 HE2 MET B 88 13.142 -6.412 0.766 1.00 3.18 H new ATOM 0 HE3 MET B 88 11.660 -6.621 1.730 1.00 3.18 H new ATOM 3142 N ARG B 89 11.927 -7.033 -4.962 1.00 4.41 N ATOM 3143 CA ARG B 89 11.410 -6.302 -6.106 1.00 5.04 C ATOM 3144 C ARG B 89 10.522 -5.172 -5.603 1.00 5.07 C ATOM 3145 O ARG B 89 9.297 -5.307 -5.527 1.00 5.15 O ATOM 3146 CB ARG B 89 10.620 -7.227 -7.035 1.00 5.18 C ATOM 3147 CG ARG B 89 10.145 -6.548 -8.309 1.00 5.63 C ATOM 3148 CD ARG B 89 8.827 -7.132 -8.788 1.00 5.93 C ATOM 3149 NE ARG B 89 7.745 -6.904 -7.829 1.00 5.96 N ATOM 3150 CZ ARG B 89 6.460 -7.165 -8.078 1.00 6.42 C ATOM 3151 NH1 ARG B 89 6.090 -7.671 -9.246 1.00 6.87 N ATOM 3152 NH2 ARG B 89 5.543 -6.938 -7.152 1.00 6.59 N ATOM 0 H ARG B 89 11.275 -7.712 -4.569 1.00 4.41 H new ATOM 0 HA ARG B 89 12.243 -5.893 -6.678 1.00 5.04 H new ATOM 0 HB2 ARG B 89 11.243 -8.081 -7.299 1.00 5.18 H new ATOM 0 HB3 ARG B 89 9.756 -7.617 -6.497 1.00 5.18 H new ATOM 0 HG2 ARG B 89 10.028 -5.479 -8.132 1.00 5.63 H new ATOM 0 HG3 ARG B 89 10.900 -6.662 -9.087 1.00 5.63 H new ATOM 0 HD2 ARG B 89 8.561 -6.688 -9.747 1.00 5.93 H new ATOM 0 HD3 ARG B 89 8.944 -8.203 -8.954 1.00 5.93 H new ATOM 0 HE ARG B 89 7.988 -6.522 -6.915 1.00 5.96 H new ATOM 0 HH11 ARG B 89 6.790 -7.864 -9.963 1.00 6.87 H new ATOM 0 HH12 ARG B 89 5.106 -7.867 -9.428 1.00 6.87 H new ATOM 0 HH21 ARG B 89 5.817 -6.562 -6.244 1.00 6.59 H new ATOM 0 HH22 ARG B 89 4.562 -7.139 -7.346 1.00 6.59 H new ATOM 3166 N THR B 90 11.153 -4.075 -5.233 1.00 5.17 N ATOM 3167 CA THR B 90 10.452 -2.921 -4.706 1.00 5.29 C ATOM 3168 C THR B 90 9.746 -2.139 -5.807 1.00 5.66 C ATOM 3169 O THR B 90 10.382 -1.585 -6.705 1.00 6.18 O ATOM 3170 CB THR B 90 11.426 -2.001 -3.951 1.00 5.07 C ATOM 3171 OG1 THR B 90 11.907 -2.674 -2.784 1.00 5.02 O ATOM 3172 CG2 THR B 90 10.761 -0.695 -3.548 1.00 4.69 C ATOM 0 H THR B 90 12.165 -3.959 -5.289 1.00 5.17 H new ATOM 0 HA THR B 90 9.693 -3.287 -4.015 1.00 5.29 H new ATOM 0 HB THR B 90 12.256 -1.764 -4.617 1.00 5.07 H new ATOM 0 HG1 THR B 90 11.347 -2.437 -2.015 1.00 5.02 H new ATOM 0 HG21 THR B 90 11.479 -0.070 -3.017 1.00 4.69 H new ATOM 0 HG22 THR B 90 10.415 -0.172 -4.440 1.00 4.69 H new ATOM 0 HG23 THR B 90 9.912 -0.905 -2.898 1.00 4.69 H new ATOM 3180 N SER B 91 8.425 -2.122 -5.738 1.00 5.49 N ATOM 3181 CA SER B 91 7.617 -1.397 -6.701 1.00 5.86 C ATOM 3182 C SER B 91 7.257 -0.032 -6.124 1.00 5.46 C ATOM 3183 O SER B 91 6.307 0.096 -5.355 1.00 4.98 O ATOM 3184 CB SER B 91 6.359 -2.201 -7.028 1.00 6.04 C ATOM 3185 OG SER B 91 6.654 -3.586 -7.072 1.00 6.30 O ATOM 0 H SER B 91 7.888 -2.606 -5.019 1.00 5.49 H new ATOM 0 HA SER B 91 8.177 -1.251 -7.625 1.00 5.86 H new ATOM 0 HB2 SER B 91 5.592 -2.010 -6.277 1.00 6.04 H new ATOM 0 HB3 SER B 91 5.953 -1.879 -7.987 1.00 6.04 H new ATOM 0 HG SER B 91 5.838 -4.088 -7.281 1.00 6.30 H new ATOM 3191 N SER B 92 8.036 0.977 -6.481 1.00 5.80 N ATOM 3192 CA SER B 92 7.829 2.327 -5.975 1.00 5.57 C ATOM 3193 C SER B 92 6.780 3.086 -6.782 1.00 5.56 C ATOM 3194 O SER B 92 6.898 3.221 -7.995 1.00 5.52 O ATOM 3195 CB SER B 92 9.157 3.084 -5.991 1.00 6.27 C ATOM 3196 OG SER B 92 10.184 2.305 -5.397 1.00 6.65 O ATOM 0 H SER B 92 8.823 0.886 -7.124 1.00 5.80 H new ATOM 0 HA SER B 92 7.457 2.251 -4.953 1.00 5.57 H new ATOM 0 HB2 SER B 92 9.428 3.331 -7.017 1.00 6.27 H new ATOM 0 HB3 SER B 92 9.051 4.026 -5.453 1.00 6.27 H new ATOM 0 HG SER B 92 10.094 2.335 -4.422 1.00 6.65 H new ATOM 3202 N PHE B 93 5.752 3.561 -6.094 1.00 5.71 N ATOM 3203 CA PHE B 93 4.676 4.323 -6.710 1.00 5.89 C ATOM 3204 C PHE B 93 4.597 5.707 -6.068 1.00 6.45 C ATOM 3205 O PHE B 93 4.450 5.826 -4.850 1.00 6.45 O ATOM 3206 CB PHE B 93 3.347 3.578 -6.537 1.00 5.69 C ATOM 3207 CG PHE B 93 2.182 4.220 -7.239 1.00 5.63 C ATOM 3208 CD1 PHE B 93 1.904 3.921 -8.562 1.00 5.74 C ATOM 3209 CD2 PHE B 93 1.361 5.117 -6.572 1.00 5.63 C ATOM 3210 CE1 PHE B 93 0.831 4.503 -9.208 1.00 5.78 C ATOM 3211 CE2 PHE B 93 0.286 5.702 -7.213 1.00 5.68 C ATOM 3212 CZ PHE B 93 0.022 5.396 -8.533 1.00 5.73 C ATOM 0 H PHE B 93 5.640 3.428 -5.089 1.00 5.71 H new ATOM 0 HA PHE B 93 4.875 4.438 -7.775 1.00 5.89 H new ATOM 0 HB2 PHE B 93 3.464 2.560 -6.908 1.00 5.69 H new ATOM 0 HB3 PHE B 93 3.120 3.506 -5.473 1.00 5.69 H new ATOM 0 HD1 PHE B 93 2.534 3.224 -9.095 1.00 5.74 H new ATOM 0 HD2 PHE B 93 1.564 5.361 -5.540 1.00 5.63 H new ATOM 0 HE1 PHE B 93 0.625 4.260 -10.240 1.00 5.78 H new ATOM 0 HE2 PHE B 93 -0.347 6.398 -6.682 1.00 5.68 H new ATOM 0 HZ PHE B 93 -0.816 5.854 -9.037 1.00 5.73 H new ATOM 3222 N THR B 94 4.716 6.748 -6.875 1.00 7.02 N ATOM 3223 CA THR B 94 4.661 8.111 -6.366 1.00 7.65 C ATOM 3224 C THR B 94 3.224 8.599 -6.241 1.00 7.67 C ATOM 3225 O THR B 94 2.528 8.767 -7.242 1.00 8.38 O ATOM 3226 CB THR B 94 5.439 9.075 -7.274 1.00 8.72 C ATOM 3227 OG1 THR B 94 5.626 8.484 -8.570 1.00 8.98 O ATOM 3228 CG2 THR B 94 6.789 9.419 -6.661 1.00 9.17 C ATOM 0 H THR B 94 4.851 6.677 -7.884 1.00 7.02 H new ATOM 0 HA THR B 94 5.121 8.097 -5.378 1.00 7.65 H new ATOM 0 HB THR B 94 4.862 9.994 -7.378 1.00 8.72 H new ATOM 0 HG1 THR B 94 6.452 8.827 -8.970 1.00 8.98 H new ATOM 0 HG21 THR B 94 7.324 10.103 -7.320 1.00 9.17 H new ATOM 0 HG22 THR B 94 6.638 9.893 -5.691 1.00 9.17 H new ATOM 0 HG23 THR B 94 7.373 8.508 -6.532 1.00 9.17 H new ATOM 3236 N PHE B 95 2.785 8.830 -5.011 1.00 7.03 N ATOM 3237 CA PHE B 95 1.432 9.302 -4.771 1.00 7.23 C ATOM 3238 C PHE B 95 1.362 10.813 -4.954 1.00 7.66 C ATOM 3239 O PHE B 95 2.097 11.566 -4.308 1.00 7.94 O ATOM 3240 CB PHE B 95 0.966 8.909 -3.367 1.00 6.55 C ATOM 3241 CG PHE B 95 -0.379 8.238 -3.353 1.00 6.95 C ATOM 3242 CD1 PHE B 95 -0.876 7.632 -4.496 1.00 7.38 C ATOM 3243 CD2 PHE B 95 -1.145 8.209 -2.199 1.00 6.97 C ATOM 3244 CE1 PHE B 95 -2.110 7.013 -4.491 1.00 7.77 C ATOM 3245 CE2 PHE B 95 -2.382 7.592 -2.188 1.00 7.38 C ATOM 3246 CZ PHE B 95 -2.864 6.992 -3.335 1.00 8.33 C ATOM 0 H PHE B 95 3.345 8.698 -4.169 1.00 7.03 H new ATOM 0 HA PHE B 95 0.766 8.832 -5.495 1.00 7.23 H new ATOM 0 HB2 PHE B 95 1.702 8.240 -2.921 1.00 6.55 H new ATOM 0 HB3 PHE B 95 0.926 9.801 -2.742 1.00 6.55 H new ATOM 0 HD1 PHE B 95 -0.290 7.644 -5.403 1.00 7.38 H new ATOM 0 HD2 PHE B 95 -0.772 8.673 -1.298 1.00 6.97 H new ATOM 0 HE1 PHE B 95 -2.485 6.546 -5.390 1.00 7.77 H new ATOM 0 HE2 PHE B 95 -2.971 7.579 -1.283 1.00 7.38 H new ATOM 0 HZ PHE B 95 -3.829 6.507 -3.327 1.00 8.33 H new ATOM 3256 N GLN B 96 0.491 11.243 -5.855 1.00 7.77 N ATOM 3257 CA GLN B 96 0.317 12.659 -6.146 1.00 8.24 C ATOM 3258 C GLN B 96 -0.882 13.226 -5.402 1.00 8.05 C ATOM 3259 O GLN B 96 -2.014 12.775 -5.602 1.00 8.10 O ATOM 3260 CB GLN B 96 0.107 12.875 -7.646 1.00 8.94 C ATOM 3261 CG GLN B 96 1.290 12.486 -8.509 1.00 9.25 C ATOM 3262 CD GLN B 96 0.922 12.435 -9.979 1.00 9.90 C ATOM 3263 OE1 GLN B 96 0.543 11.388 -10.499 1.00 9.95 O ATOM 3264 NE2 GLN B 96 0.999 13.567 -10.654 1.00 10.53 N ATOM 0 H GLN B 96 -0.111 10.626 -6.401 1.00 7.77 H new ATOM 0 HA GLN B 96 1.221 13.173 -5.819 1.00 8.24 H new ATOM 0 HB2 GLN B 96 -0.763 12.301 -7.964 1.00 8.94 H new ATOM 0 HB3 GLN B 96 -0.123 13.926 -7.820 1.00 8.94 H new ATOM 0 HG2 GLN B 96 2.099 13.202 -8.361 1.00 9.25 H new ATOM 0 HG3 GLN B 96 1.665 11.512 -8.194 1.00 9.25 H new ATOM 0 HE21 GLN B 96 1.318 14.417 -10.189 1.00 10.53 H new ATOM 0 HE22 GLN B 96 0.739 13.591 -11.640 1.00 10.53 H new ATOM 3273 N ASN B 97 -0.640 14.207 -4.547 1.00 7.96 N ATOM 3274 CA ASN B 97 -1.718 14.843 -3.810 1.00 7.92 C ATOM 3275 C ASN B 97 -2.537 15.692 -4.774 1.00 8.14 C ATOM 3276 O ASN B 97 -1.994 16.564 -5.452 1.00 8.43 O ATOM 3277 CB ASN B 97 -1.165 15.709 -2.677 1.00 7.98 C ATOM 3278 CG ASN B 97 -2.242 16.149 -1.701 1.00 8.09 C ATOM 3279 OD1 ASN B 97 -3.160 15.390 -1.386 1.00 8.16 O ATOM 3280 ND2 ASN B 97 -2.136 17.373 -1.213 1.00 8.31 N ATOM 0 H ASN B 97 0.289 14.578 -4.347 1.00 7.96 H new ATOM 0 HA ASN B 97 -2.351 14.076 -3.363 1.00 7.92 H new ATOM 0 HB2 ASN B 97 -0.398 15.151 -2.139 1.00 7.98 H new ATOM 0 HB3 ASN B 97 -0.681 16.589 -3.100 1.00 7.98 H new ATOM 0 HD21 ASN B 97 -2.830 17.720 -0.550 1.00 8.31 H new ATOM 0 HD22 ASN B 97 -1.361 17.971 -1.499 1.00 8.31 H new ATOM 3287 N PRO B 98 -3.852 15.445 -4.858 1.00 8.11 N ATOM 3288 CA PRO B 98 -4.747 16.173 -5.768 1.00 8.36 C ATOM 3289 C PRO B 98 -4.980 17.637 -5.380 1.00 8.56 C ATOM 3290 O PRO B 98 -5.968 18.242 -5.795 1.00 9.16 O ATOM 3291 CB PRO B 98 -6.056 15.387 -5.682 1.00 8.39 C ATOM 3292 CG PRO B 98 -6.016 14.718 -4.353 1.00 8.29 C ATOM 3293 CD PRO B 98 -4.569 14.419 -4.082 1.00 7.99 C ATOM 0 HA PRO B 98 -4.317 16.231 -6.768 1.00 8.36 H new ATOM 0 HB2 PRO B 98 -6.919 16.047 -5.766 1.00 8.39 H new ATOM 0 HB3 PRO B 98 -6.133 14.658 -6.489 1.00 8.39 H new ATOM 0 HG2 PRO B 98 -6.433 15.363 -3.579 1.00 8.29 H new ATOM 0 HG3 PRO B 98 -6.609 13.803 -4.359 1.00 8.29 H new ATOM 0 HD2 PRO B 98 -4.338 14.486 -3.019 1.00 7.99 H new ATOM 0 HD3 PRO B 98 -4.301 13.413 -4.404 1.00 7.99 H new ATOM 3301 N TYR B 99 -4.074 18.208 -4.601 1.00 8.20 N ATOM 3302 CA TYR B 99 -4.197 19.597 -4.187 1.00 8.49 C ATOM 3303 C TYR B 99 -3.403 20.486 -5.139 1.00 8.25 C ATOM 3304 O TYR B 99 -3.978 21.246 -5.920 1.00 8.70 O ATOM 3305 CB TYR B 99 -3.697 19.771 -2.751 1.00 8.61 C ATOM 3306 CG TYR B 99 -4.256 20.984 -2.038 1.00 9.49 C ATOM 3307 CD1 TYR B 99 -3.825 22.265 -2.355 1.00 9.80 C ATOM 3308 CD2 TYR B 99 -5.204 20.843 -1.034 1.00 9.79 C ATOM 3309 CE1 TYR B 99 -4.326 23.370 -1.696 1.00 10.36 C ATOM 3310 CE2 TYR B 99 -5.708 21.942 -0.366 1.00 10.35 C ATOM 3311 CZ TYR B 99 -5.266 23.203 -0.700 1.00 10.60 C ATOM 3312 OH TYR B 99 -5.760 24.303 -0.035 1.00 11.34 O ATOM 0 H TYR B 99 -3.246 17.731 -4.243 1.00 8.20 H new ATOM 0 HA TYR B 99 -5.247 19.888 -4.220 1.00 8.49 H new ATOM 0 HB2 TYR B 99 -3.952 18.879 -2.179 1.00 8.61 H new ATOM 0 HB3 TYR B 99 -2.609 19.841 -2.764 1.00 8.61 H new ATOM 0 HD1 TYR B 99 -3.085 22.400 -3.130 1.00 9.80 H new ATOM 0 HD2 TYR B 99 -5.554 19.856 -0.770 1.00 9.79 H new ATOM 0 HE1 TYR B 99 -3.984 24.360 -1.959 1.00 10.36 H new ATOM 0 HE2 TYR B 99 -6.444 21.813 0.414 1.00 10.35 H new ATOM 0 HH TYR B 99 -6.414 24.014 0.635 1.00 11.34 H new ATOM 3322 N SER B 100 -2.084 20.365 -5.086 1.00 7.67 N ATOM 3323 CA SER B 100 -1.204 21.146 -5.942 1.00 7.55 C ATOM 3324 C SER B 100 -0.198 20.232 -6.641 1.00 7.32 C ATOM 3325 O SER B 100 0.854 20.684 -7.103 1.00 7.75 O ATOM 3326 CB SER B 100 -0.472 22.206 -5.118 1.00 7.45 C ATOM 3327 OG SER B 100 -1.370 22.894 -4.255 1.00 7.36 O ATOM 0 H SER B 100 -1.598 19.729 -4.454 1.00 7.67 H new ATOM 0 HA SER B 100 -1.806 21.646 -6.700 1.00 7.55 H new ATOM 0 HB2 SER B 100 0.314 21.734 -4.529 1.00 7.45 H new ATOM 0 HB3 SER B 100 0.014 22.918 -5.785 1.00 7.45 H new ATOM 0 HG SER B 100 -0.877 23.565 -3.738 1.00 7.36 H new ATOM 3333 N ASP B 101 -0.541 18.943 -6.699 1.00 6.80 N ATOM 3334 CA ASP B 101 0.294 17.919 -7.335 1.00 6.71 C ATOM 3335 C ASP B 101 1.598 17.713 -6.565 1.00 6.51 C ATOM 3336 O ASP B 101 2.673 17.572 -7.150 1.00 6.46 O ATOM 3337 CB ASP B 101 0.582 18.277 -8.801 1.00 7.30 C ATOM 3338 CG ASP B 101 1.246 17.147 -9.562 1.00 8.84 C ATOM 3339 OD1 ASP B 101 0.714 16.021 -9.548 1.00 8.97 O ATOM 3340 OD2 ASP B 101 2.305 17.382 -10.186 1.00 9.08 O ATOM 0 H ASP B 101 -1.408 18.578 -6.305 1.00 6.80 H new ATOM 0 HA ASP B 101 -0.261 16.981 -7.315 1.00 6.71 H new ATOM 0 HB2 ASP B 101 -0.352 18.542 -9.296 1.00 7.30 H new ATOM 0 HB3 ASP B 101 1.223 19.158 -8.836 1.00 7.30 H new ATOM 3345 N GLU B 102 1.506 17.698 -5.247 1.00 6.62 N ATOM 3346 CA GLU B 102 2.684 17.495 -4.418 1.00 6.76 C ATOM 3347 C GLU B 102 2.804 16.029 -4.022 1.00 6.49 C ATOM 3348 O GLU B 102 1.803 15.369 -3.743 1.00 6.08 O ATOM 3349 CB GLU B 102 2.646 18.365 -3.155 1.00 6.92 C ATOM 3350 CG GLU B 102 1.633 19.498 -3.197 1.00 7.00 C ATOM 3351 CD GLU B 102 0.266 19.072 -2.698 1.00 7.52 C ATOM 3352 OE1 GLU B 102 0.074 18.997 -1.466 1.00 7.71 O ATOM 3353 OE2 GLU B 102 -0.620 18.805 -3.533 1.00 7.71 O ATOM 0 H GLU B 102 0.636 17.823 -4.730 1.00 6.62 H new ATOM 0 HA GLU B 102 3.552 17.789 -5.008 1.00 6.76 H new ATOM 0 HB2 GLU B 102 2.425 17.729 -2.298 1.00 6.92 H new ATOM 0 HB3 GLU B 102 3.637 18.787 -2.991 1.00 6.92 H new ATOM 0 HG2 GLU B 102 1.995 20.328 -2.590 1.00 7.00 H new ATOM 0 HG3 GLU B 102 1.545 19.865 -4.220 1.00 7.00 H new ATOM 3360 N ILE B 103 4.026 15.517 -4.028 1.00 6.89 N ATOM 3361 CA ILE B 103 4.269 14.134 -3.649 1.00 6.86 C ATOM 3362 C ILE B 103 4.275 14.015 -2.132 1.00 6.92 C ATOM 3363 O ILE B 103 5.197 14.497 -1.470 1.00 6.97 O ATOM 3364 CB ILE B 103 5.612 13.615 -4.208 1.00 7.13 C ATOM 3365 CG1 ILE B 103 5.665 13.808 -5.725 1.00 7.47 C ATOM 3366 CG2 ILE B 103 5.810 12.148 -3.848 1.00 6.71 C ATOM 3367 CD1 ILE B 103 7.006 13.463 -6.338 1.00 8.04 C ATOM 0 H ILE B 103 4.863 16.038 -4.291 1.00 6.89 H new ATOM 0 HA ILE B 103 3.469 13.527 -4.073 1.00 6.86 H new ATOM 0 HB ILE B 103 6.421 14.190 -3.757 1.00 7.13 H new ATOM 0 HG12 ILE B 103 4.895 13.191 -6.188 1.00 7.47 H new ATOM 0 HG13 ILE B 103 5.425 14.845 -5.959 1.00 7.47 H new ATOM 0 HG21 ILE B 103 6.761 11.800 -4.250 1.00 6.71 H new ATOM 0 HG22 ILE B 103 5.812 12.036 -2.764 1.00 6.71 H new ATOM 0 HG23 ILE B 103 4.999 11.557 -4.272 1.00 6.71 H new ATOM 0 HD11 ILE B 103 6.966 13.625 -7.415 1.00 8.04 H new ATOM 0 HD12 ILE B 103 7.779 14.098 -5.904 1.00 8.04 H new ATOM 0 HD13 ILE B 103 7.240 12.418 -6.137 1.00 8.04 H new ATOM 3379 N GLU B 104 3.240 13.396 -1.583 1.00 7.07 N ATOM 3380 CA GLU B 104 3.137 13.230 -0.140 1.00 7.39 C ATOM 3381 C GLU B 104 4.124 12.181 0.362 1.00 7.24 C ATOM 3382 O GLU B 104 4.814 12.400 1.358 1.00 7.56 O ATOM 3383 CB GLU B 104 1.704 12.872 0.265 1.00 7.11 C ATOM 3384 CG GLU B 104 1.025 11.885 -0.669 1.00 7.06 C ATOM 3385 CD GLU B 104 -0.469 11.789 -0.428 1.00 8.47 C ATOM 3386 OE1 GLU B 104 -0.925 12.118 0.690 1.00 8.35 O ATOM 3387 OE2 GLU B 104 -1.199 11.382 -1.351 1.00 8.81 O ATOM 0 H GLU B 104 2.462 13.002 -2.112 1.00 7.07 H new ATOM 0 HA GLU B 104 3.393 14.181 0.328 1.00 7.39 H new ATOM 0 HB2 GLU B 104 1.716 12.454 1.272 1.00 7.11 H new ATOM 0 HB3 GLU B 104 1.110 13.785 0.306 1.00 7.11 H new ATOM 0 HG2 GLU B 104 1.204 12.185 -1.701 1.00 7.06 H new ATOM 0 HG3 GLU B 104 1.474 10.900 -0.540 1.00 7.06 H new ATOM 3394 N TYR B 105 4.197 11.054 -0.338 1.00 6.81 N ATOM 3395 CA TYR B 105 5.109 9.977 0.025 1.00 6.65 C ATOM 3396 C TYR B 105 5.242 8.985 -1.123 1.00 5.83 C ATOM 3397 O TYR B 105 4.469 9.024 -2.085 1.00 5.31 O ATOM 3398 CB TYR B 105 4.647 9.253 1.304 1.00 7.23 C ATOM 3399 CG TYR B 105 3.173 8.900 1.336 1.00 7.06 C ATOM 3400 CD1 TYR B 105 2.667 7.842 0.588 1.00 6.65 C ATOM 3401 CD2 TYR B 105 2.291 9.622 2.129 1.00 7.40 C ATOM 3402 CE1 TYR B 105 1.324 7.522 0.626 1.00 6.52 C ATOM 3403 CE2 TYR B 105 0.948 9.306 2.171 1.00 7.32 C ATOM 3404 CZ TYR B 105 0.470 8.255 1.422 1.00 6.94 C ATOM 3405 OH TYR B 105 -0.868 7.943 1.462 1.00 6.84 O ATOM 0 H TYR B 105 3.631 10.863 -1.165 1.00 6.81 H new ATOM 0 HA TYR B 105 6.084 10.421 0.226 1.00 6.65 H new ATOM 0 HB2 TYR B 105 5.228 8.338 1.417 1.00 7.23 H new ATOM 0 HB3 TYR B 105 4.874 9.883 2.164 1.00 7.23 H new ATOM 0 HD1 TYR B 105 3.335 7.262 -0.032 1.00 6.65 H new ATOM 0 HD2 TYR B 105 2.662 10.444 2.723 1.00 7.40 H new ATOM 0 HE1 TYR B 105 0.945 6.701 0.035 1.00 6.52 H new ATOM 0 HE2 TYR B 105 0.275 9.881 2.789 1.00 7.32 H new ATOM 0 HH TYR B 105 -1.329 8.556 2.072 1.00 6.84 H new ATOM 3415 N ILE B 106 6.226 8.108 -1.019 1.00 5.84 N ATOM 3416 CA ILE B 106 6.465 7.102 -2.036 1.00 5.13 C ATOM 3417 C ILE B 106 6.016 5.736 -1.538 1.00 4.98 C ATOM 3418 O ILE B 106 6.481 5.256 -0.499 1.00 5.41 O ATOM 3419 CB ILE B 106 7.956 7.028 -2.435 1.00 5.45 C ATOM 3420 CG1 ILE B 106 8.454 8.396 -2.907 1.00 6.30 C ATOM 3421 CG2 ILE B 106 8.170 5.979 -3.521 1.00 4.84 C ATOM 3422 CD1 ILE B 106 9.938 8.427 -3.200 1.00 6.78 C ATOM 0 H ILE B 106 6.876 8.074 -0.234 1.00 5.84 H new ATOM 0 HA ILE B 106 5.889 7.390 -2.915 1.00 5.13 H new ATOM 0 HB ILE B 106 8.531 6.735 -1.557 1.00 5.45 H new ATOM 0 HG12 ILE B 106 7.908 8.683 -3.806 1.00 6.30 H new ATOM 0 HG13 ILE B 106 8.226 9.140 -2.144 1.00 6.30 H new ATOM 0 HG21 ILE B 106 9.226 5.942 -3.788 1.00 4.84 H new ATOM 0 HG22 ILE B 106 7.855 5.003 -3.151 1.00 4.84 H new ATOM 0 HG23 ILE B 106 7.582 6.241 -4.401 1.00 4.84 H new ATOM 0 HD11 ILE B 106 10.223 9.426 -3.530 1.00 6.78 H new ATOM 0 HD12 ILE B 106 10.493 8.171 -2.297 1.00 6.78 H new ATOM 0 HD13 ILE B 106 10.169 7.706 -3.985 1.00 6.78 H new ATOM 3434 N ILE B 107 5.103 5.126 -2.272 1.00 4.66 N ATOM 3435 CA ILE B 107 4.585 3.814 -1.930 1.00 4.86 C ATOM 3436 C ILE B 107 5.469 2.737 -2.542 1.00 4.29 C ATOM 3437 O ILE B 107 5.379 2.452 -3.730 1.00 3.98 O ATOM 3438 CB ILE B 107 3.137 3.647 -2.437 1.00 5.29 C ATOM 3439 CG1 ILE B 107 2.208 4.613 -1.700 1.00 6.01 C ATOM 3440 CG2 ILE B 107 2.659 2.209 -2.271 1.00 5.80 C ATOM 3441 CD1 ILE B 107 0.861 4.790 -2.365 1.00 6.31 C ATOM 0 H ILE B 107 4.701 5.525 -3.120 1.00 4.66 H new ATOM 0 HA ILE B 107 4.586 3.715 -0.844 1.00 4.86 H new ATOM 0 HB ILE B 107 3.117 3.883 -3.501 1.00 5.29 H new ATOM 0 HG12 ILE B 107 2.056 4.252 -0.683 1.00 6.01 H new ATOM 0 HG13 ILE B 107 2.696 5.585 -1.624 1.00 6.01 H new ATOM 0 HG21 ILE B 107 1.636 2.121 -2.636 1.00 5.80 H new ATOM 0 HG22 ILE B 107 3.306 1.542 -2.841 1.00 5.80 H new ATOM 0 HG23 ILE B 107 2.693 1.934 -1.217 1.00 5.80 H new ATOM 0 HD11 ILE B 107 0.258 5.489 -1.785 1.00 6.31 H new ATOM 0 HD12 ILE B 107 1.001 5.181 -3.373 1.00 6.31 H new ATOM 0 HD13 ILE B 107 0.352 3.828 -2.417 1.00 6.31 H new ATOM 3453 N CYS B 108 6.346 2.164 -1.743 1.00 4.36 N ATOM 3454 CA CYS B 108 7.236 1.128 -2.236 1.00 4.09 C ATOM 3455 C CYS B 108 6.744 -0.261 -1.851 1.00 4.49 C ATOM 3456 O CYS B 108 6.961 -0.717 -0.729 1.00 5.31 O ATOM 3457 CB CYS B 108 8.651 1.348 -1.702 1.00 3.74 C ATOM 3458 SG CYS B 108 9.509 2.753 -2.450 1.00 3.04 S ATOM 0 H CYS B 108 6.463 2.395 -0.756 1.00 4.36 H new ATOM 0 HA CYS B 108 7.248 1.191 -3.324 1.00 4.09 H new ATOM 0 HB2 CYS B 108 8.602 1.498 -0.623 1.00 3.74 H new ATOM 0 HB3 CYS B 108 9.237 0.445 -1.872 1.00 3.74 H new ATOM 0 HG CYS B 108 9.972 3.527 -1.514 1.00 3.04 H new ATOM 3464 N THR B 109 6.064 -0.922 -2.773 1.00 4.08 N ATOM 3465 CA THR B 109 5.583 -2.267 -2.528 1.00 4.65 C ATOM 3466 C THR B 109 6.756 -3.242 -2.617 1.00 5.11 C ATOM 3467 O THR B 109 7.197 -3.616 -3.708 1.00 5.24 O ATOM 3468 CB THR B 109 4.480 -2.666 -3.531 1.00 5.03 C ATOM 3469 OG1 THR B 109 3.421 -1.696 -3.505 1.00 4.85 O ATOM 3470 CG2 THR B 109 3.918 -4.044 -3.208 1.00 5.48 C ATOM 0 H THR B 109 5.834 -0.549 -3.694 1.00 4.08 H new ATOM 0 HA THR B 109 5.145 -2.303 -1.530 1.00 4.65 H new ATOM 0 HB THR B 109 4.923 -2.699 -4.526 1.00 5.03 H new ATOM 0 HG1 THR B 109 2.802 -1.907 -2.775 1.00 4.85 H new ATOM 0 HG21 THR B 109 3.143 -4.299 -3.931 1.00 5.48 H new ATOM 0 HG22 THR B 109 4.717 -4.783 -3.257 1.00 5.48 H new ATOM 0 HG23 THR B 109 3.491 -4.037 -2.205 1.00 5.48 H new ATOM 3478 N ASN B 110 7.278 -3.616 -1.462 1.00 5.49 N ATOM 3479 CA ASN B 110 8.415 -4.519 -1.384 1.00 6.04 C ATOM 3480 C ASN B 110 7.973 -5.962 -1.550 1.00 6.71 C ATOM 3481 O ASN B 110 7.323 -6.525 -0.675 1.00 6.90 O ATOM 3482 CB ASN B 110 9.142 -4.350 -0.047 1.00 6.01 C ATOM 3483 CG ASN B 110 10.184 -3.249 -0.078 1.00 6.09 C ATOM 3484 OD1 ASN B 110 10.061 -2.278 -0.821 1.00 6.05 O ATOM 3485 ND2 ASN B 110 11.225 -3.392 0.729 1.00 6.27 N ATOM 0 H ASN B 110 6.929 -3.305 -0.556 1.00 5.49 H new ATOM 0 HA ASN B 110 9.099 -4.269 -2.195 1.00 6.04 H new ATOM 0 HB2 ASN B 110 8.412 -4.131 0.733 1.00 6.01 H new ATOM 0 HB3 ASN B 110 9.623 -5.291 0.221 1.00 6.01 H new ATOM 0 HD21 ASN B 110 11.958 -2.682 0.747 1.00 6.27 H new ATOM 0 HD22 ASN B 110 11.294 -4.212 1.332 1.00 6.27 H new ATOM 3492 N THR B 111 8.318 -6.550 -2.684 1.00 7.16 N ATOM 3493 CA THR B 111 7.973 -7.933 -2.964 1.00 7.90 C ATOM 3494 C THR B 111 9.234 -8.788 -3.016 1.00 8.33 C ATOM 3495 O THR B 111 10.050 -8.643 -3.926 1.00 8.01 O ATOM 3496 CB THR B 111 7.223 -8.046 -4.302 1.00 8.30 C ATOM 3497 OG1 THR B 111 6.495 -6.832 -4.546 1.00 8.18 O ATOM 3498 CG2 THR B 111 6.263 -9.228 -4.296 1.00 8.61 C ATOM 0 H THR B 111 8.839 -6.088 -3.429 1.00 7.16 H new ATOM 0 HA THR B 111 7.324 -8.290 -2.164 1.00 7.90 H new ATOM 0 HB THR B 111 7.954 -8.206 -5.094 1.00 8.30 H new ATOM 0 HG1 THR B 111 7.107 -6.146 -4.885 1.00 8.18 H new ATOM 0 HG21 THR B 111 5.747 -9.283 -5.255 1.00 8.61 H new ATOM 0 HG22 THR B 111 6.821 -10.149 -4.131 1.00 8.61 H new ATOM 0 HG23 THR B 111 5.532 -9.099 -3.498 1.00 8.61 H new ATOM 3506 N ASN B 112 9.406 -9.662 -2.034 1.00 9.14 N ATOM 3507 CA ASN B 112 10.583 -10.524 -1.987 1.00 9.70 C ATOM 3508 C ASN B 112 10.524 -11.577 -3.083 1.00 10.21 C ATOM 3509 O ASN B 112 9.513 -12.261 -3.252 1.00 10.32 O ATOM 3510 CB ASN B 112 10.720 -11.201 -0.617 1.00 10.52 C ATOM 3511 CG ASN B 112 11.685 -12.375 -0.649 1.00 11.13 C ATOM 3512 OD1 ASN B 112 11.273 -13.529 -0.746 1.00 11.84 O ATOM 3513 ND2 ASN B 112 12.975 -12.090 -0.579 1.00 10.90 N ATOM 0 H ASN B 112 8.751 -9.794 -1.263 1.00 9.14 H new ATOM 0 HA ASN B 112 11.458 -9.895 -2.149 1.00 9.70 H new ATOM 0 HB2 ASN B 112 11.064 -10.470 0.114 1.00 10.52 H new ATOM 0 HB3 ASN B 112 9.741 -11.547 -0.285 1.00 10.52 H new ATOM 0 HD21 ASN B 112 13.665 -12.841 -0.605 1.00 10.90 H new ATOM 0 HD22 ASN B 112 13.279 -11.120 -0.499 1.00 10.90 H new ATOM 3520 N VAL B 113 11.608 -11.690 -3.833 1.00 10.57 N ATOM 3521 CA VAL B 113 11.697 -12.658 -4.911 1.00 11.22 C ATOM 3522 C VAL B 113 12.611 -13.807 -4.507 1.00 11.42 C ATOM 3523 O VAL B 113 12.241 -14.976 -4.606 1.00 11.44 O ATOM 3524 CB VAL B 113 12.233 -12.014 -6.208 1.00 11.03 C ATOM 3525 CG1 VAL B 113 12.198 -13.006 -7.361 1.00 11.77 C ATOM 3526 CG2 VAL B 113 11.442 -10.761 -6.555 1.00 10.85 C ATOM 0 H VAL B 113 12.444 -11.118 -3.713 1.00 10.57 H new ATOM 0 HA VAL B 113 10.691 -13.032 -5.102 1.00 11.22 H new ATOM 0 HB VAL B 113 13.271 -11.727 -6.038 1.00 11.03 H new ATOM 0 HG11 VAL B 113 12.580 -12.529 -8.263 1.00 11.77 H new ATOM 0 HG12 VAL B 113 12.817 -13.869 -7.117 1.00 11.77 H new ATOM 0 HG13 VAL B 113 11.172 -13.331 -7.530 1.00 11.77 H new ATOM 0 HG21 VAL B 113 11.837 -10.324 -7.472 1.00 10.85 H new ATOM 0 HG22 VAL B 113 10.393 -11.021 -6.699 1.00 10.85 H new ATOM 0 HG23 VAL B 113 11.529 -10.039 -5.743 1.00 10.85 H new ATOM 3536 N LYS B 114 13.804 -13.469 -4.039 1.00 11.62 N ATOM 3537 CA LYS B 114 14.774 -14.472 -3.626 1.00 11.92 C ATOM 3538 C LYS B 114 15.411 -14.074 -2.300 1.00 12.21 C ATOM 3539 O LYS B 114 14.762 -14.249 -1.251 1.00 12.68 O ATOM 3540 CB LYS B 114 15.859 -14.648 -4.696 1.00 12.06 C ATOM 3541 CG LYS B 114 15.316 -14.849 -6.104 1.00 11.92 C ATOM 3542 CD LYS B 114 16.437 -14.960 -7.125 1.00 12.03 C ATOM 3543 CE LYS B 114 17.130 -16.311 -7.047 1.00 11.97 C ATOM 3544 NZ LYS B 114 18.439 -16.312 -7.749 1.00 12.15 N ATOM 0 H LYS B 114 14.124 -12.506 -3.936 1.00 11.62 H new ATOM 0 HA LYS B 114 14.253 -15.421 -3.500 1.00 11.92 H new ATOM 0 HB2 LYS B 114 16.506 -13.771 -4.689 1.00 12.06 H new ATOM 0 HB3 LYS B 114 16.480 -15.504 -4.432 1.00 12.06 H new ATOM 0 HG2 LYS B 114 14.705 -15.751 -6.134 1.00 11.92 H new ATOM 0 HG3 LYS B 114 14.665 -14.015 -6.366 1.00 11.92 H new ATOM 0 HD2 LYS B 114 16.034 -14.814 -8.127 1.00 12.03 H new ATOM 0 HD3 LYS B 114 17.165 -14.166 -6.956 1.00 12.03 H new ATOM 0 HE2 LYS B 114 17.280 -16.580 -6.002 1.00 11.97 H new ATOM 0 HE3 LYS B 114 16.485 -17.074 -7.483 1.00 11.97 H new ATOM 0 HZ1 LYS B 114 18.875 -17.253 -7.670 1.00 12.15 H new ATOM 0 HZ2 LYS B 114 18.295 -16.081 -8.753 1.00 12.15 H new ATOM 0 HZ3 LYS B 114 19.065 -15.603 -7.317 1.00 12.15 H new TER 3558 LYS B 114