USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1727 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= 0.388 K(o=3.8,f=-12!) USER MOD Set 1.2: B 92 SER OG : rot -88:sc= 1.42 USER MOD Set 1.3: B 108 CYS SG : rot 125:sc= 2 USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 1 USER MOD Set 2.2: B 91 SER OG : rot -76:sc= 1.14 USER MOD Set 2.3: B 111 THR OG1 : rot 134:sc= 0 USER MOD Set 3.1: B 14 SER OG : rot 68:sc= 1.11 USER MOD Set 3.2: B 88 MET CE :methyl 156:sc= 0 (180deg=-0.419) USER MOD Set 3.3: B 90 THR OG1 : rot -64:sc= 0.848 USER MOD Set 3.4: B 110 ASN : amide:sc= 1.24 K(o=3.2,f=-0.9) USER MOD Set 4.1: A 102 MET CE :methyl -160:sc= -0.649 (180deg=-1.52) USER MOD Set 4.2: B 109 THR OG1 : rot 81:sc= 0.365 USER MOD Set 5.1: A 92 ASN : amide:sc= -1.29 K(o=-1.7,f=-12!) USER MOD Set 5.2: B 112 ASN : amide:sc= -0.458 K(o=-1.7,f=-11!) USER MOD Set 6.1: A 65 GLN : amide:sc= 2.97 K(o=5.5,f=0.74) USER MOD Set 6.2: A 88 THR OG1 : rot 90:sc= 0.967 USER MOD Set 6.3: B 70 GLN : amide:sc= 1.59! C(o=5.5!,f=0.74!) USER MOD Set 7.1: A 71 TYR OH : rot -154:sc= 1.28 USER MOD Set 7.2: A 85 THR OG1 : rot -17:sc= 1.71 USER MOD Set 7.3: A 105 ASN : amide:sc= -4.8! C(o=-1.8!,f=-2.3!) USER MOD Set 8.1: A 70 GLN :FLIP amide:sc= 1.04 F(o=1.7,f=2.3) USER MOD Set 8.2: A 109 SER OG : rot 86:sc= 1.23 USER MOD Set 9.1: A 59 ASN : amide:sc= 0.306 K(o=0.64,f=-5!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ 157:sc= 0.333 (180deg=-0.0213) USER MOD Set10.1: A 42 TYR OH : rot 99:sc= 1.26 USER MOD Set10.2: A 57 HIS : no HD1:sc= -0.446 K(o=0.81,f=-8.2!) USER MOD Set11.1: A 10 SER OG : rot -89:sc= 1.21 USER MOD Set11.2: A 12 HIS : no HE2:sc= 2.11 K(o=3.3,f=-9.6!) USER MOD Set11.3: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set11.4: A 45 TYR OH : rot -131:sc= 0.305 USER MOD Set11.5: A 103 CYS SG : rot -150:sc= -0.339 USER MOD Set12.1: A 13 SER OG : rot -121:sc= 2.28 USER MOD Set12.2: A 19 THR OG1 : rot -160:sc= -0.141 USER MOD Set12.3: A 100 CYS SG : rot 121:sc= 1.02 USER MOD Set13.1: A 7 THR OG1 : rot 90:sc= 1.27 USER MOD Set13.2: B 97 ASN : amide:sc= 1.65 K(o=2.9,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.12) USER MOD Single : A 14 MET CE :methyl 159:sc= -0.0511 (180deg=-0.387) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 1.25 (180deg=0.937) USER MOD Single : A 20 TYR OH : rot 14:sc= 0.898 USER MOD Single : A 21 CYS SG : rot 115:sc= -2.75! USER MOD Single : A 26 THR OG1 : rot 91:sc= -0.0753 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -1.55 F(o=-2.5!,f=-1.6) USER MOD Single : A 40 SER OG : rot 90:sc= 1.36 USER MOD Single : A 46 HIS : +bothHN:sc= -0.115 K(o=-0.12,f=-5.6!) USER MOD Single : A 50 SER OG : rot -106:sc= 1.23 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 75:sc= 0.867 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.718) USER MOD Single : A 56 SER OG : rot 92:sc= 1.3 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 61 CYS SG : rot 69:sc= 0.821 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 177:sc= 0 (180deg=-0.0081) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0203 (180deg=-0.204) USER MOD Single : A 77 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.006) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 86 GLN : amide:sc= 0.579 K(o=0.58,f=-0.022) USER MOD Single : A 91 TYR OH : rot -36:sc= 0.0285 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 99 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.85) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : B 17 ASN : amide:sc= -0.225 K(o=-0.23,f=-5.5!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : +bothHN:sc= 1.71 K(o=1.7,f=-8.8!) USER MOD Single : B 29 CYS SG : rot 90:sc= 0.336 USER MOD Single : B 32 THR OG1 : rot -166:sc= 1.69 USER MOD Single : B 35 TYR OH : rot -136:sc= 0.715 USER MOD Single : B 36 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.78) USER MOD Single : B 38 GLN : amide:sc= 0.887 K(o=0.89,f=-5.8!) USER MOD Single : B 43 LYS NZ :NH3+ -153:sc= 0.322! (180deg=-1.67!) USER MOD Single : B 44 ASN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : B 49 CYS SG : rot 72:sc= -0.493 USER MOD Single : B 50 HIS : no HE2:sc= 0.419 K(o=0.42,f=-5.4!) USER MOD Single : B 54 GLN : amide:sc= 0.0178 X(o=0.018,f=-0.43) USER MOD Single : B 55 GLN : amide:sc= -1.24! C(o=-1.2!,f=-9.7!) USER MOD Single : B 60 SER OG : rot 89:sc= 1.25 USER MOD Single : B 62 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : B 63 GLN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.15) USER MOD Single : B 75 MET CE :methyl 148:sc= 0 (180deg=-1.92) USER MOD Single : B 80 SER OG : rot 180:sc= -0.0216 USER MOD Single : B 81 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.13) USER MOD Single : B 82 ASN : amide:sc= 1.19 K(o=1.2,f=-0.17) USER MOD Single : B 83 GLN : amide:sc= -0.0789 K(o=-0.079,f=-0.7) USER MOD Single : B 94 THR OG1 : rot -121:sc= 1.27 USER MOD Single : B 96 GLN : amide:sc= 0.206 K(o=0.21,f=-2.6!) USER MOD Single : B 99 TYR OH : rot -103:sc= 1.16 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot 165:sc= 0.912 USER MOD Single : B 114 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -10.882 12.826 1.210 1.00 0.00 N ATOM 2 CA LYS A 6 -9.479 12.426 1.460 1.00 0.00 C ATOM 3 C LYS A 6 -9.138 11.139 0.725 1.00 0.00 C ATOM 4 O LYS A 6 -10.019 10.456 0.199 1.00 0.00 O ATOM 5 CB LYS A 6 -9.230 12.229 2.957 1.00 0.00 C ATOM 6 CG LYS A 6 -9.033 13.519 3.732 1.00 0.00 C ATOM 7 CD LYS A 6 -8.454 13.242 5.108 1.00 0.00 C ATOM 8 CE LYS A 6 -8.283 14.518 5.911 1.00 0.00 C ATOM 9 NZ LYS A 6 -7.686 14.252 7.245 1.00 0.00 N ATOM 0 HA LYS A 6 -8.841 13.228 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.073 11.686 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.348 11.602 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.367 14.182 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.987 14.037 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.109 12.557 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.489 12.745 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.648 15.212 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.252 15.002 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.946 15.016 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.043 13.346 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.651 14.207 7.159 1.00 0.00 H new ATOM 25 N THR A 7 -7.852 10.828 0.692 1.00 0.00 N ATOM 26 CA THR A 7 -7.353 9.627 0.049 1.00 0.00 C ATOM 27 C THR A 7 -6.612 8.781 1.077 1.00 0.00 C ATOM 28 O THR A 7 -5.836 9.316 1.875 1.00 0.00 O ATOM 29 CB THR A 7 -6.400 9.989 -1.109 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.972 11.044 -1.894 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.128 8.783 -1.994 1.00 0.00 C ATOM 0 H THR A 7 -7.124 11.405 1.113 1.00 0.00 H new ATOM 0 HA THR A 7 -8.194 9.066 -0.358 1.00 0.00 H new ATOM 0 HB THR A 7 -5.454 10.319 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.693 11.910 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.453 9.069 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.669 7.992 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.066 8.422 -2.416 1.00 0.00 H new ATOM 39 N PHE A 8 -6.862 7.478 1.088 1.00 0.00 N ATOM 40 CA PHE A 8 -6.195 6.602 2.042 1.00 0.00 C ATOM 41 C PHE A 8 -5.819 5.263 1.411 1.00 0.00 C ATOM 42 O PHE A 8 -6.442 4.818 0.440 1.00 0.00 O ATOM 43 CB PHE A 8 -7.059 6.400 3.301 1.00 0.00 C ATOM 44 CG PHE A 8 -8.225 5.461 3.142 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.083 4.104 3.393 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.465 5.939 2.761 1.00 0.00 C ATOM 47 CE1 PHE A 8 -9.156 3.245 3.263 1.00 0.00 C ATOM 48 CE2 PHE A 8 -10.542 5.084 2.629 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.388 3.736 2.880 1.00 0.00 C ATOM 0 H PHE A 8 -7.512 7.010 0.457 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.268 7.090 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.421 6.027 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.438 7.371 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.121 3.715 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.593 6.993 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.032 2.191 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.505 5.471 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.229 3.067 2.777 1.00 0.00 H new ATOM 59 N LEU A 9 -4.788 4.640 1.967 1.00 0.00 N ATOM 60 CA LEU A 9 -4.295 3.360 1.480 1.00 0.00 C ATOM 61 C LEU A 9 -5.105 2.206 2.069 1.00 0.00 C ATOM 62 O LEU A 9 -5.397 2.176 3.267 1.00 0.00 O ATOM 63 CB LEU A 9 -2.808 3.208 1.838 1.00 0.00 C ATOM 64 CG LEU A 9 -1.979 2.301 0.915 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.156 0.839 1.292 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.349 2.525 -0.545 1.00 0.00 C ATOM 0 H LEU A 9 -4.272 5.007 2.766 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.407 3.331 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.354 4.199 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.738 2.819 2.854 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.929 2.563 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.560 0.216 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.828 0.686 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.207 0.565 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.748 1.871 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.406 2.300 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.159 3.564 -0.813 1.00 0.00 H new ATOM 78 N SER A 10 -5.470 1.261 1.216 1.00 0.00 N ATOM 79 CA SER A 10 -6.234 0.101 1.632 1.00 0.00 C ATOM 80 C SER A 10 -5.582 -1.171 1.094 1.00 0.00 C ATOM 81 O SER A 10 -5.684 -1.481 -0.092 1.00 0.00 O ATOM 82 CB SER A 10 -7.675 0.217 1.122 1.00 0.00 C ATOM 83 OG SER A 10 -8.574 -0.540 1.919 1.00 0.00 O ATOM 0 H SER A 10 -5.245 1.279 0.221 1.00 0.00 H new ATOM 0 HA SER A 10 -6.249 0.053 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.979 1.264 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.725 -0.128 0.089 1.00 0.00 H new ATOM 0 HG SER A 10 -8.641 -1.450 1.562 1.00 0.00 H new ATOM 89 N ARG A 11 -4.892 -1.897 1.959 1.00 0.00 N ATOM 90 CA ARG A 11 -4.234 -3.130 1.549 1.00 0.00 C ATOM 91 C ARG A 11 -5.142 -4.325 1.805 1.00 0.00 C ATOM 92 O ARG A 11 -5.620 -4.528 2.923 1.00 0.00 O ATOM 93 CB ARG A 11 -2.899 -3.305 2.277 1.00 0.00 C ATOM 94 CG ARG A 11 -2.197 -4.615 1.955 1.00 0.00 C ATOM 95 CD ARG A 11 -0.717 -4.556 2.292 1.00 0.00 C ATOM 96 NE ARG A 11 0.108 -4.594 1.084 1.00 0.00 N ATOM 97 CZ ARG A 11 1.022 -5.534 0.838 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.300 -6.454 1.755 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.667 -5.540 -0.322 1.00 0.00 N ATOM 0 H ARG A 11 -4.773 -1.657 2.943 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.031 -3.069 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.241 -2.476 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.071 -3.249 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.665 -5.426 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.321 -4.844 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.506 -3.644 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.456 -5.393 2.939 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.024 -3.859 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.814 -6.444 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.000 -7.171 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.463 -4.827 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.366 -6.257 -0.513 1.00 0.00 H new ATOM 113 N HIS A 12 -5.386 -5.104 0.759 1.00 0.00 N ATOM 114 CA HIS A 12 -6.241 -6.278 0.856 1.00 0.00 C ATOM 115 C HIS A 12 -5.491 -7.509 0.373 1.00 0.00 C ATOM 116 O HIS A 12 -4.745 -7.438 -0.599 1.00 0.00 O ATOM 117 CB HIS A 12 -7.518 -6.094 0.027 1.00 0.00 C ATOM 118 CG HIS A 12 -8.391 -4.970 0.502 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.597 -5.166 1.140 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.225 -3.629 0.427 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.132 -3.996 1.435 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.317 -3.045 1.016 1.00 0.00 N ATOM 0 H HIS A 12 -5.001 -4.942 -0.171 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.521 -6.410 1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.243 -5.914 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.091 -7.021 0.049 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.011 -6.074 1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.386 -3.113 -0.016 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.077 -3.842 1.935 1.00 0.00 H new ATOM 131 N SER A 13 -5.679 -8.629 1.050 1.00 0.00 N ATOM 132 CA SER A 13 -5.005 -9.862 0.669 1.00 0.00 C ATOM 133 C SER A 13 -5.940 -11.060 0.796 1.00 0.00 C ATOM 134 O SER A 13 -6.915 -11.015 1.552 1.00 0.00 O ATOM 135 CB SER A 13 -3.761 -10.069 1.537 1.00 0.00 C ATOM 136 OG SER A 13 -2.934 -8.916 1.532 1.00 0.00 O ATOM 0 H SER A 13 -6.290 -8.712 1.863 1.00 0.00 H new ATOM 0 HA SER A 13 -4.703 -9.777 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.062 -10.300 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.197 -10.926 1.170 1.00 0.00 H new ATOM 0 HG SER A 13 -2.043 -9.154 1.200 1.00 0.00 H new ATOM 142 N MET A 14 -5.638 -12.115 0.034 1.00 0.00 N ATOM 143 CA MET A 14 -6.411 -13.355 0.033 1.00 0.00 C ATOM 144 C MET A 14 -7.887 -13.105 -0.271 1.00 0.00 C ATOM 145 O MET A 14 -8.248 -12.805 -1.409 1.00 0.00 O ATOM 146 CB MET A 14 -6.253 -14.102 1.361 1.00 0.00 C ATOM 147 CG MET A 14 -4.835 -14.585 1.621 1.00 0.00 C ATOM 148 SD MET A 14 -4.762 -15.909 2.843 1.00 0.00 S ATOM 149 CE MET A 14 -5.450 -17.274 1.906 1.00 0.00 C ATOM 0 H MET A 14 -4.843 -12.130 -0.604 1.00 0.00 H new ATOM 0 HA MET A 14 -6.012 -13.981 -0.765 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.560 -13.447 2.176 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.927 -14.958 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.398 -14.935 0.686 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.227 -13.747 1.963 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.142 -18.217 2.357 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.538 -17.207 1.912 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.089 -17.228 0.878 1.00 0.00 H new ATOM 159 N ASP A 15 -8.728 -13.194 0.753 1.00 0.00 N ATOM 160 CA ASP A 15 -10.169 -12.993 0.604 1.00 0.00 C ATOM 161 C ASP A 15 -10.524 -11.511 0.657 1.00 0.00 C ATOM 162 O ASP A 15 -11.566 -11.127 1.187 1.00 0.00 O ATOM 163 CB ASP A 15 -10.939 -13.757 1.691 1.00 0.00 C ATOM 164 CG ASP A 15 -10.438 -13.469 3.095 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.230 -13.663 3.352 1.00 0.00 O ATOM 166 OD2 ASP A 15 -11.251 -13.078 3.960 1.00 0.00 O ATOM 0 H ASP A 15 -8.435 -13.406 1.707 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.459 -13.382 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.996 -13.497 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.862 -14.827 1.497 1.00 0.00 H new ATOM 171 N MET A 16 -9.638 -10.685 0.109 1.00 0.00 N ATOM 172 CA MET A 16 -9.832 -9.238 0.058 1.00 0.00 C ATOM 173 C MET A 16 -9.979 -8.641 1.458 1.00 0.00 C ATOM 174 O MET A 16 -10.598 -7.589 1.631 1.00 0.00 O ATOM 175 CB MET A 16 -11.060 -8.897 -0.795 1.00 0.00 C ATOM 176 CG MET A 16 -10.996 -7.527 -1.448 1.00 0.00 C ATOM 177 SD MET A 16 -9.657 -7.390 -2.646 1.00 0.00 S ATOM 178 CE MET A 16 -9.907 -5.722 -3.247 1.00 0.00 C ATOM 0 H MET A 16 -8.764 -10.999 -0.313 1.00 0.00 H new ATOM 0 HA MET A 16 -8.945 -8.800 -0.400 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.172 -9.654 -1.572 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.951 -8.949 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.944 -7.321 -1.944 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.868 -6.767 -0.677 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.152 -5.489 -3.998 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.899 -5.640 -3.692 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.822 -5.020 -2.418 1.00 0.00 H new ATOM 188 N LYS A 17 -9.399 -9.300 2.453 1.00 0.00 N ATOM 189 CA LYS A 17 -9.475 -8.812 3.821 1.00 0.00 C ATOM 190 C LYS A 17 -8.453 -7.704 4.037 1.00 0.00 C ATOM 191 O LYS A 17 -7.521 -7.553 3.247 1.00 0.00 O ATOM 192 CB LYS A 17 -9.267 -9.949 4.832 1.00 0.00 C ATOM 193 CG LYS A 17 -7.945 -10.690 4.684 1.00 0.00 C ATOM 194 CD LYS A 17 -7.495 -11.293 6.009 1.00 0.00 C ATOM 195 CE LYS A 17 -8.550 -12.219 6.602 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.610 -13.528 5.901 1.00 0.00 N ATOM 0 H LYS A 17 -8.875 -10.167 2.339 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.474 -8.407 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.328 -9.538 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.083 -10.664 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.050 -11.480 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.181 -10.005 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.569 -11.848 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.276 -10.493 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.333 -12.384 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.526 -11.736 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.417 -14.077 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.725 -13.370 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.730 -14.055 6.073 1.00 0.00 H new ATOM 210 N PHE A 18 -8.634 -6.930 5.095 1.00 0.00 N ATOM 211 CA PHE A 18 -7.733 -5.829 5.393 1.00 0.00 C ATOM 212 C PHE A 18 -6.436 -6.320 6.022 1.00 0.00 C ATOM 213 O PHE A 18 -6.424 -6.814 7.152 1.00 0.00 O ATOM 214 CB PHE A 18 -8.408 -4.824 6.326 1.00 0.00 C ATOM 215 CG PHE A 18 -9.356 -3.886 5.635 1.00 0.00 C ATOM 216 CD1 PHE A 18 -10.687 -4.224 5.465 1.00 0.00 C ATOM 217 CD2 PHE A 18 -8.916 -2.660 5.168 1.00 0.00 C ATOM 218 CE1 PHE A 18 -11.562 -3.356 4.842 1.00 0.00 C ATOM 219 CE2 PHE A 18 -9.786 -1.789 4.542 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.111 -2.137 4.379 1.00 0.00 C ATOM 0 H PHE A 18 -9.397 -7.044 5.762 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.491 -5.342 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.951 -5.369 7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.639 -4.239 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.046 -5.177 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.880 -2.381 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.599 -3.631 4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.429 -0.836 4.180 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.793 -1.457 3.890 1.00 0.00 H new ATOM 230 N THR A 19 -5.349 -6.204 5.274 1.00 0.00 N ATOM 231 CA THR A 19 -4.041 -6.599 5.765 1.00 0.00 C ATOM 232 C THR A 19 -3.296 -5.373 6.282 1.00 0.00 C ATOM 233 O THR A 19 -2.329 -5.480 7.039 1.00 0.00 O ATOM 234 CB THR A 19 -3.219 -7.292 4.667 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.817 -7.051 3.383 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.137 -8.787 4.928 1.00 0.00 C ATOM 0 H THR A 19 -5.349 -5.838 4.322 1.00 0.00 H new ATOM 0 HA THR A 19 -4.181 -7.311 6.578 1.00 0.00 H new ATOM 0 HB THR A 19 -2.209 -6.881 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.506 -7.727 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.551 -9.262 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.659 -8.962 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.141 -9.210 4.939 1.00 0.00 H new ATOM 244 N TYR A 20 -3.769 -4.207 5.857 1.00 0.00 N ATOM 245 CA TYR A 20 -3.202 -2.930 6.267 1.00 0.00 C ATOM 246 C TYR A 20 -4.188 -1.817 5.950 1.00 0.00 C ATOM 247 O TYR A 20 -4.648 -1.689 4.813 1.00 0.00 O ATOM 248 CB TYR A 20 -1.862 -2.653 5.578 1.00 0.00 C ATOM 249 CG TYR A 20 -1.246 -1.331 5.984 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.668 -1.170 7.237 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.252 -0.242 5.121 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.114 0.036 7.616 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.700 0.968 5.494 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.132 1.102 6.741 1.00 0.00 C ATOM 255 OH TYR A 20 0.418 2.306 7.118 1.00 0.00 O ATOM 0 H TYR A 20 -4.558 -4.122 5.217 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.016 -2.971 7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.166 -3.458 5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.007 -2.663 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.652 -2.002 7.926 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.696 -0.343 4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.332 0.145 8.594 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.714 1.805 4.811 1.00 0.00 H new ATOM 0 HH TYR A 20 0.964 2.179 7.922 1.00 0.00 H new ATOM 265 N CYS A 21 -4.515 -1.023 6.952 1.00 0.00 N ATOM 266 CA CYS A 21 -5.451 0.070 6.775 1.00 0.00 C ATOM 267 C CYS A 21 -4.793 1.398 7.116 1.00 0.00 C ATOM 268 O CYS A 21 -3.942 1.470 8.005 1.00 0.00 O ATOM 269 CB CYS A 21 -6.683 -0.145 7.654 1.00 0.00 C ATOM 270 SG CYS A 21 -7.050 -1.883 7.989 1.00 0.00 S ATOM 0 H CYS A 21 -4.145 -1.115 7.898 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.760 0.094 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.536 0.374 8.601 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.546 0.312 7.170 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.908 -2.119 9.259 1.00 0.00 H new ATOM 276 N ASP A 22 -5.174 2.434 6.387 1.00 0.00 N ATOM 277 CA ASP A 22 -4.644 3.769 6.613 1.00 0.00 C ATOM 278 C ASP A 22 -5.213 4.347 7.906 1.00 0.00 C ATOM 279 O ASP A 22 -6.307 3.977 8.320 1.00 0.00 O ATOM 280 CB ASP A 22 -5.014 4.672 5.439 1.00 0.00 C ATOM 281 CG ASP A 22 -4.038 5.809 5.237 1.00 0.00 C ATOM 282 OD1 ASP A 22 -3.618 6.425 6.238 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.687 6.084 4.073 1.00 0.00 O ATOM 0 H ASP A 22 -5.853 2.375 5.628 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.559 3.711 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.060 4.074 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.011 5.081 5.603 1.00 0.00 H new ATOM 288 N ASP A 23 -4.491 5.273 8.523 1.00 0.00 N ATOM 289 CA ASP A 23 -4.942 5.889 9.770 1.00 0.00 C ATOM 290 C ASP A 23 -6.110 6.827 9.494 1.00 0.00 C ATOM 291 O ASP A 23 -6.886 7.164 10.388 1.00 0.00 O ATOM 292 CB ASP A 23 -3.796 6.652 10.449 1.00 0.00 C ATOM 293 CG ASP A 23 -3.515 8.005 9.820 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.801 8.054 8.798 1.00 0.00 O ATOM 295 OD2 ASP A 23 -3.995 9.028 10.357 1.00 0.00 O ATOM 0 H ASP A 23 -3.592 5.615 8.184 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.271 5.099 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.037 6.793 11.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.891 6.046 10.408 1.00 0.00 H new ATOM 300 N ARG A 24 -6.238 7.218 8.235 1.00 0.00 N ATOM 301 CA ARG A 24 -7.300 8.112 7.805 1.00 0.00 C ATOM 302 C ARG A 24 -8.628 7.368 7.674 1.00 0.00 C ATOM 303 O ARG A 24 -9.673 7.982 7.485 1.00 0.00 O ATOM 304 CB ARG A 24 -6.927 8.747 6.464 1.00 0.00 C ATOM 305 CG ARG A 24 -5.583 9.454 6.486 1.00 0.00 C ATOM 306 CD ARG A 24 -4.976 9.559 5.096 1.00 0.00 C ATOM 307 NE ARG A 24 -3.657 10.187 5.132 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.152 10.934 4.154 1.00 0.00 C ATOM 309 NH1 ARG A 24 -3.804 11.076 3.003 1.00 0.00 N ATOM 310 NH2 ARG A 24 -1.973 11.519 4.317 1.00 0.00 N ATOM 0 H ARG A 24 -5.611 6.925 7.486 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.419 8.890 8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.910 7.974 5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.700 9.461 6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.705 10.453 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.899 8.914 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.894 8.564 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.638 10.138 4.452 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.085 10.043 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.700 10.610 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.407 11.651 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.458 11.395 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.581 12.093 3.570 1.00 0.00 H new ATOM 324 N ILE A 25 -8.590 6.046 7.804 1.00 0.00 N ATOM 325 CA ILE A 25 -9.797 5.233 7.673 1.00 0.00 C ATOM 326 C ILE A 25 -10.717 5.400 8.886 1.00 0.00 C ATOM 327 O ILE A 25 -11.937 5.243 8.778 1.00 0.00 O ATOM 328 CB ILE A 25 -9.455 3.734 7.466 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.609 3.012 6.765 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.133 3.049 8.790 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.293 1.576 6.403 1.00 0.00 C ATOM 0 H ILE A 25 -7.741 5.515 7.999 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.324 5.589 6.788 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.568 3.681 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.485 3.030 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.871 3.558 5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.898 2.000 8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.276 3.538 9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.994 3.118 9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.155 1.127 5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.436 1.551 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.060 1.015 7.308 1.00 0.00 H new ATOM 343 N THR A 26 -10.133 5.753 10.024 1.00 0.00 N ATOM 344 CA THR A 26 -10.890 5.930 11.254 1.00 0.00 C ATOM 345 C THR A 26 -11.843 7.121 11.162 1.00 0.00 C ATOM 346 O THR A 26 -12.941 7.094 11.719 1.00 0.00 O ATOM 347 CB THR A 26 -9.948 6.131 12.452 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.740 5.382 12.258 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.620 5.696 13.743 1.00 0.00 C ATOM 0 H THR A 26 -9.132 5.923 10.119 1.00 0.00 H new ATOM 0 HA THR A 26 -11.476 5.023 11.399 1.00 0.00 H new ATOM 0 HB THR A 26 -9.707 7.192 12.525 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.076 5.943 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.936 5.847 14.578 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.522 6.288 13.901 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.885 4.641 13.677 1.00 0.00 H new ATOM 357 N GLU A 27 -11.428 8.155 10.442 1.00 0.00 N ATOM 358 CA GLU A 27 -12.245 9.352 10.287 1.00 0.00 C ATOM 359 C GLU A 27 -13.074 9.294 9.007 1.00 0.00 C ATOM 360 O GLU A 27 -13.664 10.293 8.594 1.00 0.00 O ATOM 361 CB GLU A 27 -11.363 10.604 10.286 1.00 0.00 C ATOM 362 CG GLU A 27 -10.214 10.548 9.294 1.00 0.00 C ATOM 363 CD GLU A 27 -9.466 11.860 9.201 1.00 0.00 C ATOM 364 OE1 GLU A 27 -8.864 12.279 10.209 1.00 0.00 O ATOM 365 OE2 GLU A 27 -9.477 12.482 8.120 1.00 0.00 O ATOM 0 H GLU A 27 -10.532 8.189 9.957 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.930 9.400 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.982 11.472 10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.958 10.752 11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.522 9.759 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.600 10.283 8.310 1.00 0.00 H new ATOM 372 N LEU A 28 -13.113 8.127 8.378 1.00 0.00 N ATOM 373 CA LEU A 28 -13.875 7.955 7.146 1.00 0.00 C ATOM 374 C LEU A 28 -14.904 6.839 7.289 1.00 0.00 C ATOM 375 O LEU A 28 -16.103 7.056 7.108 1.00 0.00 O ATOM 376 CB LEU A 28 -12.936 7.665 5.974 1.00 0.00 C ATOM 377 CG LEU A 28 -11.940 8.784 5.658 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.041 8.394 4.499 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.671 10.080 5.350 1.00 0.00 C ATOM 0 H LEU A 28 -12.629 7.288 8.698 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.409 8.884 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.380 6.753 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.536 7.470 5.085 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.316 8.940 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.342 9.204 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.486 7.492 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.649 8.205 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.946 10.863 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.323 9.934 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.270 10.374 6.212 1.00 0.00 H new ATOM 391 N ILE A 29 -14.433 5.645 7.621 1.00 0.00 N ATOM 392 CA ILE A 29 -15.315 4.500 7.789 1.00 0.00 C ATOM 393 C ILE A 29 -15.683 4.327 9.261 1.00 0.00 C ATOM 394 O ILE A 29 -16.780 3.877 9.594 1.00 0.00 O ATOM 395 CB ILE A 29 -14.668 3.207 7.239 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.321 3.389 5.756 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.598 2.014 7.428 1.00 0.00 C ATOM 398 CD1 ILE A 29 -13.757 2.147 5.096 1.00 0.00 C ATOM 0 H ILE A 29 -13.445 5.445 7.779 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.224 4.688 7.217 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.752 3.011 7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.218 3.697 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.598 4.199 5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.122 1.116 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.805 1.879 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.532 2.193 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.538 2.359 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.841 1.848 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.486 1.339 5.158 1.00 0.00 H new ATOM 410 N GLY A 30 -14.761 4.690 10.138 1.00 0.00 N ATOM 411 CA GLY A 30 -15.016 4.586 11.560 1.00 0.00 C ATOM 412 C GLY A 30 -14.214 3.487 12.214 1.00 0.00 C ATOM 413 O GLY A 30 -13.881 3.572 13.397 1.00 0.00 O ATOM 0 H GLY A 30 -13.841 5.055 9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.780 5.537 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.078 4.402 11.723 1.00 0.00 H new ATOM 417 N TYR A 31 -13.910 2.453 11.448 1.00 0.00 N ATOM 418 CA TYR A 31 -13.138 1.329 11.951 1.00 0.00 C ATOM 419 C TYR A 31 -11.668 1.702 12.046 1.00 0.00 C ATOM 420 O TYR A 31 -11.130 2.369 11.164 1.00 0.00 O ATOM 421 CB TYR A 31 -13.303 0.110 11.041 1.00 0.00 C ATOM 422 CG TYR A 31 -14.630 -0.597 11.189 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.856 -1.472 12.243 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.653 -0.395 10.269 1.00 0.00 C ATOM 425 CE1 TYR A 31 -16.067 -2.125 12.380 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.866 -1.043 10.399 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.068 -1.908 11.455 1.00 0.00 C ATOM 428 OH TYR A 31 -18.278 -2.552 11.591 1.00 0.00 O ATOM 0 H TYR A 31 -14.188 2.369 10.470 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.509 1.078 12.944 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.186 0.426 10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.501 -0.598 11.251 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.074 -1.645 12.967 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.497 0.279 9.440 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.229 -2.801 13.206 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.652 -0.874 9.678 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.873 -2.289 10.858 1.00 0.00 H new ATOM 438 N HIS A 32 -11.028 1.285 13.124 1.00 0.00 N ATOM 439 CA HIS A 32 -9.616 1.569 13.322 1.00 0.00 C ATOM 440 C HIS A 32 -8.780 0.600 12.488 1.00 0.00 C ATOM 441 O HIS A 32 -9.136 -0.569 12.361 1.00 0.00 O ATOM 442 CB HIS A 32 -9.248 1.457 14.806 1.00 0.00 C ATOM 443 CG HIS A 32 -8.263 2.491 15.260 1.00 0.00 C ATOM 444 ND1 HIS A 32 -6.910 2.466 15.312 1.00 0.00 N flip ATOM 445 CD2 HIS A 32 -8.637 3.735 15.721 1.00 0.00 C flip ATOM 446 CE1 HIS A 32 -6.500 3.681 15.798 1.00 0.00 C flip ATOM 447 NE2 HIS A 32 -7.559 4.429 16.036 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.462 0.749 13.875 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.408 2.589 12.999 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.155 1.544 15.404 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.835 0.466 14.995 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.654 4.087 15.811 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.474 3.977 15.960 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.548 5.381 16.401 1.00 0.00 H new ATOM 456 N PRO A 33 -7.675 1.084 11.893 1.00 0.00 N ATOM 457 CA PRO A 33 -6.782 0.263 11.062 1.00 0.00 C ATOM 458 C PRO A 33 -6.449 -1.096 11.681 1.00 0.00 C ATOM 459 O PRO A 33 -6.690 -2.139 11.066 1.00 0.00 O ATOM 460 CB PRO A 33 -5.525 1.122 10.956 1.00 0.00 C ATOM 461 CG PRO A 33 -6.017 2.523 11.050 1.00 0.00 C ATOM 462 CD PRO A 33 -7.222 2.489 11.950 1.00 0.00 C ATOM 0 HA PRO A 33 -7.243 0.016 10.106 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.821 0.895 11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.004 0.947 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.247 3.179 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.278 2.910 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.968 2.785 12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.998 3.172 11.604 1.00 0.00 H new ATOM 470 N GLU A 34 -5.916 -1.081 12.901 1.00 0.00 N ATOM 471 CA GLU A 34 -5.540 -2.315 13.596 1.00 0.00 C ATOM 472 C GLU A 34 -6.753 -3.215 13.833 1.00 0.00 C ATOM 473 O GLU A 34 -6.639 -4.438 13.844 1.00 0.00 O ATOM 474 CB GLU A 34 -4.874 -1.998 14.939 1.00 0.00 C ATOM 475 CG GLU A 34 -3.961 -0.782 14.912 1.00 0.00 C ATOM 476 CD GLU A 34 -2.786 -0.933 13.966 1.00 0.00 C ATOM 477 OE1 GLU A 34 -1.839 -1.679 14.296 1.00 0.00 O ATOM 478 OE2 GLU A 34 -2.795 -0.289 12.895 1.00 0.00 O ATOM 0 H GLU A 34 -5.734 -0.229 13.431 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.833 -2.844 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.650 -1.839 15.688 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.296 -2.865 15.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.542 0.093 14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.586 -0.596 15.918 1.00 0.00 H new ATOM 485 N GLU A 35 -7.915 -2.596 13.993 1.00 0.00 N ATOM 486 CA GLU A 35 -9.156 -3.323 14.242 1.00 0.00 C ATOM 487 C GLU A 35 -9.605 -4.107 13.010 1.00 0.00 C ATOM 488 O GLU A 35 -10.415 -5.032 13.108 1.00 0.00 O ATOM 489 CB GLU A 35 -10.248 -2.342 14.663 1.00 0.00 C ATOM 490 CG GLU A 35 -10.832 -2.624 16.035 1.00 0.00 C ATOM 491 CD GLU A 35 -12.155 -3.354 15.962 1.00 0.00 C ATOM 492 OE1 GLU A 35 -13.201 -2.686 15.833 1.00 0.00 O ATOM 493 OE2 GLU A 35 -12.157 -4.601 16.034 1.00 0.00 O ATOM 0 H GLU A 35 -8.026 -1.583 13.955 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.975 -4.040 15.043 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.839 -1.332 14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.050 -2.368 13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.124 -3.218 16.613 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.969 -1.683 16.569 1.00 0.00 H new ATOM 500 N LEU A 36 -9.084 -3.735 11.850 1.00 0.00 N ATOM 501 CA LEU A 36 -9.440 -4.409 10.612 1.00 0.00 C ATOM 502 C LEU A 36 -8.325 -5.344 10.159 1.00 0.00 C ATOM 503 O LEU A 36 -8.535 -6.199 9.299 1.00 0.00 O ATOM 504 CB LEU A 36 -9.724 -3.386 9.512 1.00 0.00 C ATOM 505 CG LEU A 36 -10.855 -2.401 9.805 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.975 -1.384 8.681 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.171 -3.138 9.997 1.00 0.00 C ATOM 0 H LEU A 36 -8.415 -2.972 11.741 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.338 -4.998 10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.812 -2.819 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.962 -3.923 8.594 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.620 -1.872 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.785 -0.689 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.039 -0.833 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.187 -1.900 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.964 -2.419 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.413 -3.693 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.081 -3.831 10.834 1.00 0.00 H new ATOM 519 N LEU A 37 -7.150 -5.187 10.754 1.00 0.00 N ATOM 520 CA LEU A 37 -5.990 -5.996 10.398 1.00 0.00 C ATOM 521 C LEU A 37 -6.218 -7.475 10.683 1.00 0.00 C ATOM 522 O LEU A 37 -6.266 -7.898 11.843 1.00 0.00 O ATOM 523 CB LEU A 37 -4.748 -5.528 11.161 1.00 0.00 C ATOM 524 CG LEU A 37 -4.298 -4.094 10.887 1.00 0.00 C ATOM 525 CD1 LEU A 37 -2.973 -3.816 11.580 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.185 -3.843 9.394 1.00 0.00 C ATOM 0 H LEU A 37 -6.974 -4.503 11.490 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.836 -5.869 9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.941 -5.630 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.923 -6.199 10.921 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.049 -3.413 11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.664 -2.791 11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.089 -3.953 12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.215 -4.504 11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.863 -2.816 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.455 -4.529 8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.155 -4.003 8.924 1.00 0.00 H new ATOM 538 N GLY A 38 -6.368 -8.255 9.622 1.00 0.00 N ATOM 539 CA GLY A 38 -6.553 -9.686 9.770 1.00 0.00 C ATOM 540 C GLY A 38 -8.005 -10.113 9.857 1.00 0.00 C ATOM 541 O GLY A 38 -8.299 -11.308 9.808 1.00 0.00 O ATOM 0 H GLY A 38 -6.365 -7.922 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.086 -10.192 8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.032 -10.019 10.668 1.00 0.00 H new ATOM 545 N ARG A 39 -8.919 -9.158 9.974 1.00 0.00 N ATOM 546 CA ARG A 39 -10.334 -9.493 10.067 1.00 0.00 C ATOM 547 C ARG A 39 -10.945 -9.588 8.672 1.00 0.00 C ATOM 548 O ARG A 39 -10.475 -8.943 7.731 1.00 0.00 O ATOM 549 CB ARG A 39 -11.096 -8.473 10.930 1.00 0.00 C ATOM 550 CG ARG A 39 -11.451 -7.183 10.209 1.00 0.00 C ATOM 551 CD ARG A 39 -12.812 -6.658 10.638 1.00 0.00 C ATOM 552 NE ARG A 39 -12.802 -6.110 11.993 1.00 0.00 N ATOM 553 CZ ARG A 39 -13.899 -5.968 12.742 1.00 0.00 C ATOM 554 NH1 ARG A 39 -15.074 -6.388 12.290 1.00 0.00 N ATOM 555 NH2 ARG A 39 -13.816 -5.420 13.948 1.00 0.00 N ATOM 0 H ARG A 39 -8.711 -8.160 10.006 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.422 -10.464 10.554 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.013 -8.936 11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.492 -8.232 11.805 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.689 -6.430 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.449 -7.355 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.136 -5.886 9.940 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.543 -7.465 10.582 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.908 -5.820 12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.141 -6.820 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.910 -6.278 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.913 -5.106 14.305 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.655 -5.313 14.518 1.00 0.00 H new ATOM 569 N SER A 40 -11.975 -10.407 8.540 1.00 0.00 N ATOM 570 CA SER A 40 -12.649 -10.589 7.267 1.00 0.00 C ATOM 571 C SER A 40 -13.357 -9.307 6.838 1.00 0.00 C ATOM 572 O SER A 40 -14.233 -8.797 7.543 1.00 0.00 O ATOM 573 CB SER A 40 -13.646 -11.737 7.382 1.00 0.00 C ATOM 574 OG SER A 40 -13.578 -12.331 8.670 1.00 0.00 O ATOM 0 H SER A 40 -12.364 -10.959 9.304 1.00 0.00 H new ATOM 0 HA SER A 40 -11.907 -10.830 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.655 -11.369 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.436 -12.486 6.619 1.00 0.00 H new ATOM 0 HG SER A 40 -14.205 -11.878 9.272 1.00 0.00 H new ATOM 580 N ALA A 41 -12.974 -8.795 5.677 1.00 0.00 N ATOM 581 CA ALA A 41 -13.555 -7.572 5.146 1.00 0.00 C ATOM 582 C ALA A 41 -14.891 -7.858 4.479 1.00 0.00 C ATOM 583 O ALA A 41 -15.763 -6.993 4.424 1.00 0.00 O ATOM 584 CB ALA A 41 -12.603 -6.921 4.157 1.00 0.00 C ATOM 0 H ALA A 41 -12.258 -9.212 5.082 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.724 -6.885 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.052 -6.007 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.666 -6.680 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.408 -7.608 3.334 1.00 0.00 H new ATOM 590 N TYR A 42 -15.045 -9.085 3.986 1.00 0.00 N ATOM 591 CA TYR A 42 -16.278 -9.506 3.319 1.00 0.00 C ATOM 592 C TYR A 42 -17.484 -9.396 4.251 1.00 0.00 C ATOM 593 O TYR A 42 -18.620 -9.268 3.795 1.00 0.00 O ATOM 594 CB TYR A 42 -16.148 -10.946 2.812 1.00 0.00 C ATOM 595 CG TYR A 42 -15.608 -11.064 1.401 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.060 -10.229 0.386 1.00 0.00 C ATOM 597 CD2 TYR A 42 -14.651 -12.020 1.084 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.572 -10.343 -0.903 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.161 -12.141 -0.202 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.622 -11.300 -1.191 1.00 0.00 C ATOM 601 OH TYR A 42 -14.137 -11.424 -2.475 1.00 0.00 O ATOM 0 H TYR A 42 -14.328 -9.809 4.036 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.437 -8.838 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.494 -11.499 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.127 -11.424 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -16.805 -9.479 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.284 -12.680 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.933 -9.686 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.419 -12.892 -0.431 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.273 -10.966 -2.544 1.00 0.00 H new ATOM 611 N GLU A 43 -17.226 -9.433 5.554 1.00 0.00 N ATOM 612 CA GLU A 43 -18.282 -9.343 6.559 1.00 0.00 C ATOM 613 C GLU A 43 -19.051 -8.031 6.454 1.00 0.00 C ATOM 614 O GLU A 43 -20.267 -7.997 6.642 1.00 0.00 O ATOM 615 CB GLU A 43 -17.688 -9.462 7.958 1.00 0.00 C ATOM 616 CG GLU A 43 -17.146 -10.839 8.285 1.00 0.00 C ATOM 617 CD GLU A 43 -16.618 -10.915 9.700 1.00 0.00 C ATOM 618 OE1 GLU A 43 -17.068 -10.117 10.547 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.740 -11.757 9.967 1.00 0.00 O ATOM 0 H GLU A 43 -16.287 -9.525 5.942 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.975 -10.164 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.885 -8.733 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.453 -9.201 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.934 -11.581 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.349 -11.091 7.586 1.00 0.00 H new ATOM 626 N PHE A 44 -18.338 -6.954 6.171 1.00 0.00 N ATOM 627 CA PHE A 44 -18.955 -5.644 6.046 1.00 0.00 C ATOM 628 C PHE A 44 -18.713 -5.087 4.652 1.00 0.00 C ATOM 629 O PHE A 44 -18.758 -3.876 4.425 1.00 0.00 O ATOM 630 CB PHE A 44 -18.416 -4.685 7.119 1.00 0.00 C ATOM 631 CG PHE A 44 -16.920 -4.499 7.098 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.076 -5.449 7.654 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.361 -3.369 6.524 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.706 -5.273 7.637 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.992 -3.189 6.505 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.163 -4.143 7.061 1.00 0.00 C ATOM 0 H PHE A 44 -17.329 -6.961 6.023 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.029 -5.746 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.892 -3.713 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.709 -5.057 8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.495 -6.336 8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.004 -2.620 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.060 -6.020 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.570 -2.302 6.055 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.092 -4.005 7.045 1.00 0.00 H new ATOM 646 N TYR A 45 -18.481 -5.987 3.708 1.00 0.00 N ATOM 647 CA TYR A 45 -18.227 -5.598 2.332 1.00 0.00 C ATOM 648 C TYR A 45 -19.535 -5.293 1.617 1.00 0.00 C ATOM 649 O TYR A 45 -19.907 -5.974 0.661 1.00 0.00 O ATOM 650 CB TYR A 45 -17.457 -6.693 1.593 1.00 0.00 C ATOM 651 CG TYR A 45 -16.180 -6.204 0.945 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.407 -5.218 1.547 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.749 -6.724 -0.268 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.241 -4.767 0.959 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.584 -6.278 -0.862 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.834 -5.299 -0.245 1.00 0.00 C ATOM 657 OH TYR A 45 -12.674 -4.850 -0.836 1.00 0.00 O ATOM 0 H TYR A 45 -18.464 -6.994 3.872 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.616 -4.696 2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.216 -7.492 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.101 -7.125 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.723 -4.797 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.334 -7.490 -0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.651 -4.001 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.262 -6.694 -1.805 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.849 -4.632 -1.775 1.00 0.00 H new ATOM 667 N HIS A 46 -20.219 -4.259 2.110 1.00 0.00 N ATOM 668 CA HIS A 46 -21.497 -3.792 1.563 1.00 0.00 C ATOM 669 C HIS A 46 -22.623 -4.747 1.944 1.00 0.00 C ATOM 670 O HIS A 46 -22.411 -5.951 2.088 1.00 0.00 O ATOM 671 CB HIS A 46 -21.447 -3.629 0.036 1.00 0.00 C ATOM 672 CG HIS A 46 -20.244 -2.895 -0.483 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.900 -2.877 -1.815 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.290 -2.177 0.157 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.795 -2.180 -1.974 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.402 -1.742 -0.791 1.00 0.00 N ATOM 0 H HIS A 46 -19.898 -3.715 2.911 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.691 -2.811 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.476 -4.618 -0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.344 -3.101 -0.288 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.421 -3.333 -2.564 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.239 -1.983 1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.294 -1.997 -2.913 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.574 -1.174 -0.613 1.00 0.00 H new ATOM 685 N ALA A 47 -23.822 -4.211 2.110 1.00 0.00 N ATOM 686 CA ALA A 47 -24.967 -5.033 2.478 1.00 0.00 C ATOM 687 C ALA A 47 -25.901 -5.252 1.294 1.00 0.00 C ATOM 688 O ALA A 47 -26.701 -6.187 1.292 1.00 0.00 O ATOM 689 CB ALA A 47 -25.717 -4.404 3.641 1.00 0.00 C ATOM 0 H ALA A 47 -24.028 -3.218 1.997 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.592 -6.009 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.570 -5.029 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.051 -4.318 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.069 -3.413 3.354 1.00 0.00 H new ATOM 695 N LEU A 48 -25.796 -4.402 0.282 1.00 0.00 N ATOM 696 CA LEU A 48 -26.644 -4.524 -0.899 1.00 0.00 C ATOM 697 C LEU A 48 -25.801 -4.668 -2.160 1.00 0.00 C ATOM 698 O LEU A 48 -26.080 -5.512 -3.013 1.00 0.00 O ATOM 699 CB LEU A 48 -27.585 -3.319 -1.022 1.00 0.00 C ATOM 700 CG LEU A 48 -26.903 -1.950 -1.093 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.568 -1.080 -2.148 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.945 -1.264 0.262 1.00 0.00 C ATOM 0 H LEU A 48 -25.137 -3.624 0.253 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.249 -5.424 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.195 -3.447 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.264 -3.323 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.860 -2.098 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.071 -0.110 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.491 -1.565 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.619 -0.940 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.456 -0.292 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.982 -1.127 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.427 -1.880 0.998 1.00 0.00 H new ATOM 714 N ASP A 49 -24.765 -3.851 -2.260 1.00 0.00 N ATOM 715 CA ASP A 49 -23.867 -3.862 -3.407 1.00 0.00 C ATOM 716 C ASP A 49 -22.627 -4.706 -3.113 1.00 0.00 C ATOM 717 O ASP A 49 -21.505 -4.343 -3.475 1.00 0.00 O ATOM 718 CB ASP A 49 -23.464 -2.425 -3.778 1.00 0.00 C ATOM 719 CG ASP A 49 -22.872 -1.641 -2.615 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.411 -1.733 -1.486 1.00 0.00 O ATOM 721 OD2 ASP A 49 -21.873 -0.921 -2.828 1.00 0.00 O ATOM 0 H ASP A 49 -24.522 -3.161 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 49 -24.390 -4.308 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.738 -2.458 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -24.340 -1.896 -4.154 1.00 0.00 H new ATOM 726 N SER A 50 -22.838 -5.838 -2.455 1.00 0.00 N ATOM 727 CA SER A 50 -21.752 -6.740 -2.104 1.00 0.00 C ATOM 728 C SER A 50 -21.256 -7.487 -3.341 1.00 0.00 C ATOM 729 O SER A 50 -20.067 -7.798 -3.464 1.00 0.00 O ATOM 730 CB SER A 50 -22.236 -7.730 -1.045 1.00 0.00 C ATOM 731 OG SER A 50 -23.205 -7.125 -0.200 1.00 0.00 O ATOM 0 H SER A 50 -23.759 -6.154 -2.152 1.00 0.00 H new ATOM 0 HA SER A 50 -20.922 -6.159 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.665 -8.608 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.391 -8.075 -0.449 1.00 0.00 H new ATOM 0 HG SER A 50 -22.803 -6.932 0.673 1.00 0.00 H new ATOM 737 N GLU A 51 -22.175 -7.758 -4.259 1.00 0.00 N ATOM 738 CA GLU A 51 -21.850 -8.458 -5.493 1.00 0.00 C ATOM 739 C GLU A 51 -20.917 -7.619 -6.354 1.00 0.00 C ATOM 740 O GLU A 51 -20.001 -8.148 -6.980 1.00 0.00 O ATOM 741 CB GLU A 51 -23.126 -8.796 -6.265 1.00 0.00 C ATOM 742 CG GLU A 51 -23.942 -9.901 -5.620 1.00 0.00 C ATOM 743 CD GLU A 51 -23.172 -11.196 -5.508 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.940 -11.842 -6.552 1.00 0.00 O ATOM 745 OE2 GLU A 51 -22.792 -11.575 -4.381 1.00 0.00 O ATOM 0 H GLU A 51 -23.158 -7.501 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.341 -9.387 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.741 -7.900 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.861 -9.094 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.258 -9.583 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.847 -10.069 -6.204 1.00 0.00 H new ATOM 752 N ASN A 52 -21.151 -6.308 -6.363 1.00 0.00 N ATOM 753 CA ASN A 52 -20.330 -5.371 -7.131 1.00 0.00 C ATOM 754 C ASN A 52 -18.848 -5.541 -6.807 1.00 0.00 C ATOM 755 O ASN A 52 -18.025 -5.715 -7.704 1.00 0.00 O ATOM 756 CB ASN A 52 -20.766 -3.924 -6.851 1.00 0.00 C ATOM 757 CG ASN A 52 -19.648 -2.907 -7.060 1.00 0.00 C ATOM 758 OD1 ASN A 52 -18.951 -2.532 -6.114 1.00 0.00 O ATOM 759 ND2 ASN A 52 -19.466 -2.459 -8.294 1.00 0.00 N ATOM 0 H ASN A 52 -21.909 -5.867 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.475 -5.590 -8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.604 -3.672 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -21.126 -3.852 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.729 -1.781 -8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.063 -2.793 -9.051 1.00 0.00 H new ATOM 766 N MET A 53 -18.516 -5.522 -5.523 1.00 0.00 N ATOM 767 CA MET A 53 -17.129 -5.656 -5.099 1.00 0.00 C ATOM 768 C MET A 53 -16.611 -7.064 -5.363 1.00 0.00 C ATOM 769 O MET A 53 -15.453 -7.244 -5.731 1.00 0.00 O ATOM 770 CB MET A 53 -16.979 -5.304 -3.619 1.00 0.00 C ATOM 771 CG MET A 53 -16.073 -4.107 -3.372 1.00 0.00 C ATOM 772 SD MET A 53 -14.347 -4.440 -3.782 1.00 0.00 S ATOM 773 CE MET A 53 -13.692 -2.775 -3.880 1.00 0.00 C ATOM 0 H MET A 53 -19.185 -5.416 -4.760 1.00 0.00 H new ATOM 0 HA MET A 53 -16.532 -4.957 -5.684 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.964 -5.097 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.581 -6.168 -3.086 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.426 -3.262 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.143 -3.814 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.631 -2.815 -4.127 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.223 -2.220 -4.653 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.822 -2.276 -2.920 1.00 0.00 H new ATOM 783 N THR A 54 -17.473 -8.056 -5.189 1.00 0.00 N ATOM 784 CA THR A 54 -17.091 -9.441 -5.426 1.00 0.00 C ATOM 785 C THR A 54 -16.745 -9.659 -6.900 1.00 0.00 C ATOM 786 O THR A 54 -15.702 -10.231 -7.230 1.00 0.00 O ATOM 787 CB THR A 54 -18.217 -10.407 -5.007 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.535 -10.213 -3.620 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.807 -11.852 -5.240 1.00 0.00 C ATOM 0 H THR A 54 -18.438 -7.928 -4.886 1.00 0.00 H new ATOM 0 HA THR A 54 -16.211 -9.650 -4.818 1.00 0.00 H new ATOM 0 HB THR A 54 -19.095 -10.194 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.047 -9.384 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.618 -12.514 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.592 -12.003 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.917 -12.077 -4.653 1.00 0.00 H new ATOM 797 N LYS A 55 -17.616 -9.180 -7.782 1.00 0.00 N ATOM 798 CA LYS A 55 -17.409 -9.310 -9.219 1.00 0.00 C ATOM 799 C LYS A 55 -16.159 -8.550 -9.649 1.00 0.00 C ATOM 800 O LYS A 55 -15.377 -9.029 -10.473 1.00 0.00 O ATOM 801 CB LYS A 55 -18.634 -8.794 -9.983 1.00 0.00 C ATOM 802 CG LYS A 55 -19.633 -9.881 -10.365 1.00 0.00 C ATOM 803 CD LYS A 55 -20.205 -10.587 -9.145 1.00 0.00 C ATOM 804 CE LYS A 55 -21.339 -11.530 -9.525 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.664 -11.006 -9.104 1.00 0.00 N ATOM 0 H LYS A 55 -18.476 -8.696 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.271 -10.365 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.142 -8.047 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.298 -8.290 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.446 -9.439 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.144 -10.611 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.416 -11.149 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.569 -9.847 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.336 -11.684 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.171 -12.503 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.410 -11.449 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.822 -11.227 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.689 -9.975 -9.240 1.00 0.00 H new ATOM 819 N SER A 56 -15.971 -7.368 -9.077 1.00 0.00 N ATOM 820 CA SER A 56 -14.808 -6.550 -9.389 1.00 0.00 C ATOM 821 C SER A 56 -13.535 -7.234 -8.897 1.00 0.00 C ATOM 822 O SER A 56 -12.501 -7.180 -9.556 1.00 0.00 O ATOM 823 CB SER A 56 -14.945 -5.164 -8.759 1.00 0.00 C ATOM 824 OG SER A 56 -16.155 -4.540 -9.159 1.00 0.00 O ATOM 0 H SER A 56 -16.608 -6.955 -8.396 1.00 0.00 H new ATOM 0 HA SER A 56 -14.746 -6.432 -10.471 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.918 -5.250 -7.673 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.098 -4.543 -9.050 1.00 0.00 H new ATOM 0 HG SER A 56 -16.859 -4.744 -8.509 1.00 0.00 H new ATOM 830 N HIS A 57 -13.621 -7.882 -7.737 1.00 0.00 N ATOM 831 CA HIS A 57 -12.484 -8.596 -7.162 1.00 0.00 C ATOM 832 C HIS A 57 -12.036 -9.708 -8.109 1.00 0.00 C ATOM 833 O HIS A 57 -10.850 -9.854 -8.391 1.00 0.00 O ATOM 834 CB HIS A 57 -12.865 -9.171 -5.786 1.00 0.00 C ATOM 835 CG HIS A 57 -11.755 -9.879 -5.059 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.974 -10.679 -3.954 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.418 -9.912 -5.280 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.824 -11.170 -3.534 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.864 -10.720 -4.319 1.00 0.00 N ATOM 0 H HIS A 57 -14.471 -7.927 -7.175 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.654 -7.902 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.228 -8.358 -5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.694 -9.867 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.887 -9.397 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.691 -11.830 -2.689 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.872 -10.937 -4.227 1.00 0.00 H new ATOM 848 N GLN A 58 -13.002 -10.467 -8.608 1.00 0.00 N ATOM 849 CA GLN A 58 -12.724 -11.563 -9.529 1.00 0.00 C ATOM 850 C GLN A 58 -12.040 -11.046 -10.796 1.00 0.00 C ATOM 851 O GLN A 58 -11.015 -11.581 -11.229 1.00 0.00 O ATOM 852 CB GLN A 58 -14.027 -12.284 -9.886 1.00 0.00 C ATOM 853 CG GLN A 58 -13.895 -13.262 -11.040 1.00 0.00 C ATOM 854 CD GLN A 58 -15.221 -13.871 -11.438 1.00 0.00 C ATOM 855 OE1 GLN A 58 -16.082 -14.130 -10.596 1.00 0.00 O ATOM 856 NE2 GLN A 58 -15.397 -14.093 -12.728 1.00 0.00 N ATOM 0 H GLN A 58 -13.991 -10.344 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.049 -12.266 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.386 -12.821 -9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.784 -11.541 -10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.462 -12.749 -11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.203 -14.057 -10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.657 -13.863 -13.391 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.273 -14.494 -13.062 1.00 0.00 H new ATOM 865 N ASN A 59 -12.611 -9.991 -11.370 1.00 0.00 N ATOM 866 CA ASN A 59 -12.079 -9.381 -12.585 1.00 0.00 C ATOM 867 C ASN A 59 -10.693 -8.790 -12.330 1.00 0.00 C ATOM 868 O ASN A 59 -9.798 -8.884 -13.171 1.00 0.00 O ATOM 869 CB ASN A 59 -13.037 -8.290 -13.081 1.00 0.00 C ATOM 870 CG ASN A 59 -12.516 -7.545 -14.298 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.933 -8.135 -15.212 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.726 -6.239 -14.317 1.00 0.00 N ATOM 0 H ASN A 59 -13.450 -9.537 -11.009 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.986 -10.151 -13.351 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.998 -8.743 -13.324 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.215 -7.578 -12.275 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.402 -5.682 -15.107 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.212 -5.789 -13.541 1.00 0.00 H new ATOM 879 N LEU A 60 -10.524 -8.192 -11.159 1.00 0.00 N ATOM 880 CA LEU A 60 -9.258 -7.582 -10.770 1.00 0.00 C ATOM 881 C LEU A 60 -8.128 -8.612 -10.761 1.00 0.00 C ATOM 882 O LEU A 60 -7.017 -8.326 -11.204 1.00 0.00 O ATOM 883 CB LEU A 60 -9.397 -6.937 -9.386 1.00 0.00 C ATOM 884 CG LEU A 60 -8.105 -6.404 -8.767 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.495 -5.320 -9.639 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.377 -5.879 -7.365 1.00 0.00 C ATOM 0 H LEU A 60 -11.257 -8.116 -10.454 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.007 -6.815 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.109 -6.115 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.828 -7.671 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.388 -7.222 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.577 -4.956 -9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.269 -5.729 -10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.201 -4.496 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.451 -5.501 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.110 -5.073 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.766 -6.686 -6.743 1.00 0.00 H new ATOM 898 N CYS A 61 -8.425 -9.812 -10.282 1.00 0.00 N ATOM 899 CA CYS A 61 -7.432 -10.879 -10.208 1.00 0.00 C ATOM 900 C CYS A 61 -6.963 -11.321 -11.597 1.00 0.00 C ATOM 901 O CYS A 61 -5.845 -11.808 -11.751 1.00 0.00 O ATOM 902 CB CYS A 61 -8.002 -12.075 -9.443 1.00 0.00 C ATOM 903 SG CYS A 61 -8.420 -11.719 -7.721 1.00 0.00 S ATOM 0 H CYS A 61 -9.349 -10.073 -9.937 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.566 -10.485 -9.677 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.896 -12.429 -9.957 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.277 -12.888 -9.469 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.446 -10.922 -7.679 1.00 0.00 H new ATOM 909 N THR A 62 -7.803 -11.143 -12.609 1.00 0.00 N ATOM 910 CA THR A 62 -7.440 -11.543 -13.963 1.00 0.00 C ATOM 911 C THR A 62 -6.853 -10.378 -14.762 1.00 0.00 C ATOM 912 O THR A 62 -6.136 -10.582 -15.745 1.00 0.00 O ATOM 913 CB THR A 62 -8.654 -12.122 -14.713 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.871 -11.707 -14.075 1.00 0.00 O ATOM 915 CG2 THR A 62 -8.588 -13.640 -14.755 1.00 0.00 C ATOM 0 H THR A 62 -8.731 -10.729 -12.520 1.00 0.00 H new ATOM 0 HA THR A 62 -6.676 -12.315 -13.869 1.00 0.00 H new ATOM 0 HB THR A 62 -8.636 -11.745 -15.735 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.638 -12.079 -14.560 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.455 -14.027 -15.289 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.678 -13.951 -15.268 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.584 -14.032 -13.738 1.00 0.00 H new ATOM 923 N LYS A 63 -7.150 -9.159 -14.336 1.00 0.00 N ATOM 924 CA LYS A 63 -6.652 -7.971 -15.019 1.00 0.00 C ATOM 925 C LYS A 63 -5.330 -7.505 -14.427 1.00 0.00 C ATOM 926 O LYS A 63 -4.392 -7.189 -15.152 1.00 0.00 O ATOM 927 CB LYS A 63 -7.675 -6.840 -14.932 1.00 0.00 C ATOM 928 CG LYS A 63 -8.931 -7.093 -15.743 1.00 0.00 C ATOM 929 CD LYS A 63 -8.628 -7.142 -17.231 1.00 0.00 C ATOM 930 CE LYS A 63 -9.782 -7.740 -18.015 1.00 0.00 C ATOM 931 NZ LYS A 63 -11.020 -6.929 -17.894 1.00 0.00 N ATOM 0 H LYS A 63 -7.733 -8.965 -13.522 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.489 -8.236 -16.064 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.951 -6.690 -13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.211 -5.915 -15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.384 -8.034 -15.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.659 -6.307 -15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.423 -6.135 -17.595 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.727 -7.732 -17.401 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.503 -7.820 -19.066 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.976 -8.752 -17.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.641 -7.120 -18.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.514 -7.179 -17.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.773 -5.919 -17.877 1.00 0.00 H new ATOM 945 N GLY A 64 -5.259 -7.477 -13.108 1.00 0.00 N ATOM 946 CA GLY A 64 -4.058 -7.027 -12.439 1.00 0.00 C ATOM 947 C GLY A 64 -4.280 -5.683 -11.786 1.00 0.00 C ATOM 948 O GLY A 64 -3.926 -5.474 -10.628 1.00 0.00 O ATOM 0 H GLY A 64 -6.015 -7.759 -12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.760 -7.757 -11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.241 -6.957 -13.157 1.00 0.00 H new ATOM 952 N GLN A 65 -4.884 -4.776 -12.533 1.00 0.00 N ATOM 953 CA GLN A 65 -5.187 -3.442 -12.043 1.00 0.00 C ATOM 954 C GLN A 65 -6.522 -2.990 -12.612 1.00 0.00 C ATOM 955 O GLN A 65 -6.750 -3.090 -13.817 1.00 0.00 O ATOM 956 CB GLN A 65 -4.079 -2.457 -12.426 1.00 0.00 C ATOM 957 CG GLN A 65 -4.335 -1.035 -11.949 1.00 0.00 C ATOM 958 CD GLN A 65 -3.159 -0.116 -12.200 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.052 0.499 -13.260 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.267 -0.013 -11.228 1.00 0.00 N ATOM 0 H GLN A 65 -5.178 -4.943 -13.495 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.248 -3.468 -10.955 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.134 -2.806 -12.009 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.967 -2.453 -13.510 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.215 -0.639 -12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.560 -1.048 -10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.392 -0.540 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.455 0.593 -11.343 1.00 0.00 H new ATOM 969 N VAL A 66 -7.408 -2.521 -11.750 1.00 0.00 N ATOM 970 CA VAL A 66 -8.719 -2.073 -12.187 1.00 0.00 C ATOM 971 C VAL A 66 -9.150 -0.832 -11.413 1.00 0.00 C ATOM 972 O VAL A 66 -8.726 -0.616 -10.273 1.00 0.00 O ATOM 973 CB VAL A 66 -9.779 -3.195 -12.030 1.00 0.00 C ATOM 974 CG1 VAL A 66 -10.287 -3.292 -10.597 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.933 -2.989 -13.000 1.00 0.00 C ATOM 0 H VAL A 66 -7.244 -2.441 -10.746 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.645 -1.820 -13.245 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.293 -4.141 -12.270 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.028 -4.089 -10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.454 -3.511 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.744 -2.345 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.663 -3.788 -12.871 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.408 -2.028 -12.802 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.556 -3.004 -14.023 1.00 0.00 H new ATOM 985 N VAL A 67 -9.968 -0.010 -12.050 1.00 0.00 N ATOM 986 CA VAL A 67 -10.470 1.203 -11.433 1.00 0.00 C ATOM 987 C VAL A 67 -11.949 1.044 -11.096 1.00 0.00 C ATOM 988 O VAL A 67 -12.808 1.144 -11.971 1.00 0.00 O ATOM 989 CB VAL A 67 -10.277 2.429 -12.354 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.752 3.698 -11.667 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.820 2.563 -12.776 1.00 0.00 C ATOM 0 H VAL A 67 -10.300 -0.164 -13.002 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.900 1.371 -10.519 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.880 2.278 -13.249 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.607 4.549 -12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.810 3.605 -11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.180 3.852 -10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.707 3.432 -13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.195 2.686 -11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.513 1.667 -13.315 1.00 0.00 H new ATOM 1001 N SER A 68 -12.236 0.776 -9.833 1.00 0.00 N ATOM 1002 CA SER A 68 -13.608 0.599 -9.379 1.00 0.00 C ATOM 1003 C SER A 68 -14.291 1.950 -9.186 1.00 0.00 C ATOM 1004 O SER A 68 -13.633 2.958 -8.905 1.00 0.00 O ATOM 1005 CB SER A 68 -13.626 -0.200 -8.076 1.00 0.00 C ATOM 1006 OG SER A 68 -12.745 -1.309 -8.156 1.00 0.00 O ATOM 0 H SER A 68 -11.534 0.676 -9.100 1.00 0.00 H new ATOM 0 HA SER A 68 -14.159 0.047 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.335 0.443 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.638 -0.548 -7.871 1.00 0.00 H new ATOM 0 HG SER A 68 -12.769 -1.807 -7.312 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.606 1.967 -9.351 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.358 3.195 -9.200 1.00 0.00 C ATOM 1014 C GLY A 69 -16.865 3.389 -7.789 1.00 0.00 C ATOM 1015 O GLY A 69 -16.544 2.601 -6.895 1.00 0.00 O ATOM 0 H GLY A 69 -16.167 1.149 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.728 4.040 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.202 3.188 -9.889 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.657 4.434 -7.590 1.00 0.00 N ATOM 1020 CA GLN A 70 -18.210 4.741 -6.278 1.00 0.00 C ATOM 1021 C GLN A 70 -19.174 3.657 -5.812 1.00 0.00 C ATOM 1022 O GLN A 70 -20.199 3.400 -6.446 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.926 6.090 -6.293 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.986 7.281 -6.305 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.706 8.586 -6.053 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.784 8.979 -4.795 1.00 0.00 O flip ATOM 1027 NE2 GLN A 70 -19.186 9.235 -6.982 1.00 0.00 N flip ATOM 0 H GLN A 70 -17.932 5.086 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.375 4.786 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.571 6.139 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.572 6.158 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.217 7.141 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.478 7.330 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.102 8.893 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.667 10.114 -6.794 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.829 3.021 -4.707 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.661 1.979 -4.130 1.00 0.00 C ATOM 1038 C TYR A 71 -20.148 2.420 -2.756 1.00 0.00 C ATOM 1039 O TYR A 71 -19.770 3.491 -2.282 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.894 0.654 -4.040 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.518 0.760 -3.411 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.370 1.003 -2.052 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.368 0.595 -4.175 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.121 1.083 -1.473 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.113 0.668 -3.599 1.00 0.00 C ATOM 1046 CZ TYR A 71 -14.997 0.913 -2.248 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.754 0.979 -1.667 1.00 0.00 O ATOM 0 H TYR A 71 -17.972 3.209 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.524 1.815 -4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.488 -0.056 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.789 0.242 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.249 1.132 -1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.456 0.407 -5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.025 1.278 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.229 0.534 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.094 1.257 -2.336 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.966 1.599 -2.115 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.498 1.933 -0.802 1.00 0.00 C ATOM 1059 C ARG A 72 -20.759 1.170 0.287 1.00 0.00 C ATOM 1060 O ARG A 72 -21.165 0.074 0.675 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.988 1.609 -0.733 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.817 2.325 -1.781 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.193 1.697 -1.923 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.900 2.179 -3.110 1.00 0.00 N ATOM 1065 CZ ARG A 72 -25.671 1.740 -4.349 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -24.765 0.793 -4.568 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -26.352 2.252 -5.368 1.00 0.00 N ATOM 0 H ARG A 72 -21.275 0.699 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.356 3.002 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.123 0.534 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.363 1.873 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.921 3.376 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.300 2.293 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.092 0.613 -1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.785 1.918 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.614 2.897 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.241 0.398 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.594 0.461 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.048 2.979 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.179 1.918 -6.316 1.00 0.00 H new ATOM 1081 N MET A 73 -19.671 1.745 0.775 1.00 0.00 N ATOM 1082 CA MET A 73 -18.881 1.102 1.817 1.00 0.00 C ATOM 1083 C MET A 73 -19.604 1.177 3.154 1.00 0.00 C ATOM 1084 O MET A 73 -20.049 2.247 3.567 1.00 0.00 O ATOM 1085 CB MET A 73 -17.499 1.746 1.931 1.00 0.00 C ATOM 1086 CG MET A 73 -16.482 0.869 2.644 1.00 0.00 C ATOM 1087 SD MET A 73 -16.379 -0.788 1.932 1.00 0.00 S ATOM 1088 CE MET A 73 -15.135 -1.526 2.989 1.00 0.00 C ATOM 0 H MET A 73 -19.315 2.651 0.469 1.00 0.00 H new ATOM 0 HA MET A 73 -18.751 0.055 1.544 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.131 1.978 0.932 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.590 2.692 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.502 1.343 2.597 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.749 0.792 3.698 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.995 -2.571 2.712 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.193 -0.990 2.871 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.459 -1.466 4.028 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.711 0.040 3.825 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.393 -0.031 5.107 1.00 0.00 C ATOM 1100 C LEU A 74 -19.507 0.513 6.220 1.00 0.00 C ATOM 1101 O LEU A 74 -18.475 -0.068 6.551 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.804 -1.475 5.406 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.775 -1.655 6.577 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.039 -0.837 6.354 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.119 -3.125 6.760 1.00 0.00 C ATOM 0 H LEU A 74 -19.332 -0.850 3.500 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.291 0.585 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.260 -1.898 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.904 -2.056 5.610 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.289 -1.297 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.717 -0.978 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.779 0.218 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.528 -1.165 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.810 -3.236 7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.585 -3.505 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.209 -3.689 6.964 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.915 1.642 6.775 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.175 2.285 7.847 1.00 0.00 C ATOM 1119 C ALA A 75 -19.535 1.678 9.201 1.00 0.00 C ATOM 1120 O ALA A 75 -20.472 0.883 9.305 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.444 3.781 7.843 1.00 0.00 C ATOM 0 H ALA A 75 -20.763 2.136 6.497 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.111 2.119 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.885 4.253 8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.131 4.204 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.510 3.959 7.987 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.813 2.091 10.241 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.022 1.587 11.599 1.00 0.00 C ATOM 1129 C LYS A 76 -20.259 2.211 12.254 1.00 0.00 C ATOM 1130 O LYS A 76 -20.198 2.702 13.379 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.776 1.872 12.446 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.642 0.976 13.669 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.320 1.198 14.382 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.353 2.441 15.255 1.00 0.00 C ATOM 1135 NZ LYS A 76 -17.221 2.264 16.449 1.00 0.00 N ATOM 0 H LYS A 76 -18.068 2.783 10.167 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.192 0.512 11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.890 1.753 11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.800 2.912 12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.465 1.173 14.357 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.722 -0.068 13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.088 0.328 14.996 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.521 1.291 13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.340 2.684 15.577 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.713 3.286 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.010 3.008 17.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.219 2.328 16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.041 1.332 16.874 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.376 2.198 11.536 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.636 2.750 12.045 1.00 0.00 C ATOM 1151 C HIS A 77 -23.788 2.478 11.080 1.00 0.00 C ATOM 1152 O HIS A 77 -24.857 3.071 11.196 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.531 4.263 12.331 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.897 5.078 11.243 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.611 5.664 10.218 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.604 5.424 11.039 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -21.785 6.335 9.437 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.562 6.203 9.914 1.00 0.00 N ATOM 0 H HIS A 77 -21.439 1.810 10.595 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.841 2.244 12.988 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.532 4.651 12.517 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.959 4.404 13.248 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.761 5.138 11.651 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.063 6.896 8.557 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.721 6.615 9.510 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.574 1.569 10.137 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.615 1.239 9.177 1.00 0.00 C ATOM 1169 C GLY A 78 -24.732 2.261 8.062 1.00 0.00 C ATOM 1170 O GLY A 78 -25.702 2.257 7.305 1.00 0.00 O ATOM 0 H GLY A 78 -22.701 1.054 10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.408 0.260 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.571 1.163 9.696 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.744 3.136 7.959 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.758 4.152 6.925 1.00 0.00 C ATOM 1176 C GLY A 79 -23.023 3.692 5.688 1.00 0.00 C ATOM 1177 O GLY A 79 -22.054 2.942 5.793 1.00 0.00 O ATOM 0 H GLY A 79 -22.930 3.162 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.789 4.397 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.299 5.065 7.304 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.473 4.124 4.522 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.836 3.733 3.273 1.00 0.00 C ATOM 1183 C TYR A 80 -22.060 4.897 2.665 1.00 0.00 C ATOM 1184 O TYR A 80 -22.644 5.856 2.164 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.882 3.209 2.293 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.593 1.975 2.798 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.061 0.711 2.585 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.787 2.077 3.501 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.700 -0.418 3.055 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.430 0.952 3.977 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.882 -0.293 3.750 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.516 -1.418 4.223 1.00 0.00 O ATOM 0 H TYR A 80 -24.275 4.744 4.413 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.124 2.935 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.616 3.992 2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.400 2.981 1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.132 0.609 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.219 3.051 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.275 -1.395 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.357 1.046 4.524 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.336 -1.158 4.692 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.740 4.808 2.728 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.866 5.847 2.198 1.00 0.00 C ATOM 1204 C VAL A 81 -19.618 5.637 0.710 1.00 0.00 C ATOM 1205 O VAL A 81 -19.218 4.551 0.290 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.504 5.872 2.924 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.871 7.248 2.821 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.646 5.457 4.382 1.00 0.00 C ATOM 0 H VAL A 81 -20.246 4.019 3.145 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.374 6.798 2.361 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.851 5.150 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.912 7.247 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.717 7.500 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.529 7.986 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.669 5.485 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.323 6.143 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.048 4.445 4.435 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.852 6.678 -0.077 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.654 6.604 -1.518 1.00 0.00 C ATOM 1220 C TRP A 82 -18.253 7.072 -1.901 1.00 0.00 C ATOM 1221 O TRP A 82 -17.966 8.273 -1.924 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.702 7.446 -2.244 1.00 0.00 C ATOM 1223 CG TRP A 82 -22.033 6.771 -2.373 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.897 6.463 -1.364 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.654 6.326 -3.585 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -24.017 5.855 -1.874 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.892 5.758 -3.233 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -22.285 6.353 -4.931 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.759 5.220 -4.179 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -23.146 5.819 -5.870 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -24.372 5.260 -5.489 1.00 0.00 C ATOM 0 H TRP A 82 -20.179 7.584 0.258 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.764 5.562 -1.820 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.832 8.387 -1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -20.332 7.692 -3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.725 6.667 -0.318 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.814 5.528 -1.328 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -21.342 6.784 -5.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.704 4.786 -3.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.869 5.833 -6.914 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -25.025 4.852 -6.246 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.381 6.123 -2.203 1.00 0.00 N ATOM 1243 CA LEU A 83 -16.009 6.438 -2.579 1.00 0.00 C ATOM 1244 C LEU A 83 -15.520 5.506 -3.684 1.00 0.00 C ATOM 1245 O LEU A 83 -16.056 4.410 -3.863 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.079 6.347 -1.360 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.698 5.763 -0.082 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.744 4.244 -0.147 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.918 6.217 1.143 1.00 0.00 C ATOM 0 H LEU A 83 -17.598 5.126 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.991 7.460 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.215 5.740 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.708 7.347 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.720 6.132 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -16.186 3.854 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.346 3.934 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.732 3.854 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -15.370 5.794 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.885 5.878 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -14.939 7.305 1.205 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.513 5.957 -4.428 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.941 5.167 -5.514 1.00 0.00 C ATOM 1263 C GLU A 84 -12.689 4.457 -5.029 1.00 0.00 C ATOM 1264 O GLU A 84 -12.164 4.783 -3.963 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.600 6.055 -6.712 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.809 6.698 -7.362 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.628 6.891 -8.852 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.769 7.702 -9.252 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -15.336 6.225 -9.635 1.00 0.00 O ATOM 0 H GLU A 84 -14.075 6.869 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.679 4.430 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.914 6.838 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.074 5.458 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.687 6.078 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.999 7.664 -6.894 1.00 0.00 H new ATOM 1276 N THR A 85 -12.204 3.489 -5.796 1.00 0.00 N ATOM 1277 CA THR A 85 -11.015 2.745 -5.401 1.00 0.00 C ATOM 1278 C THR A 85 -10.306 2.115 -6.599 1.00 0.00 C ATOM 1279 O THR A 85 -10.941 1.541 -7.481 1.00 0.00 O ATOM 1280 CB THR A 85 -11.378 1.631 -4.391 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.036 2.203 -3.257 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.144 0.871 -3.926 1.00 0.00 C ATOM 0 H THR A 85 -12.611 3.203 -6.687 1.00 0.00 H new ATOM 0 HA THR A 85 -10.338 3.462 -4.937 1.00 0.00 H new ATOM 0 HB THR A 85 -12.041 0.928 -4.895 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.867 3.168 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.439 0.097 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.655 0.410 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.453 1.561 -3.442 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.988 2.250 -6.629 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.176 1.662 -7.682 1.00 0.00 C ATOM 1292 C GLN A 86 -7.356 0.529 -7.075 1.00 0.00 C ATOM 1293 O GLN A 86 -6.618 0.749 -6.117 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.255 2.711 -8.312 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.641 2.268 -9.632 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.645 3.274 -10.181 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -6.007 4.188 -10.924 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.382 3.109 -9.823 1.00 0.00 N ATOM 0 H GLN A 86 -8.455 2.767 -5.929 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.821 1.277 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.820 3.629 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.455 2.949 -7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.143 1.309 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.434 2.112 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.123 2.339 -9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.667 3.752 -10.164 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.494 -0.673 -7.611 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.774 -1.807 -7.060 1.00 0.00 C ATOM 1309 C GLY A 87 -5.734 -2.376 -7.999 1.00 0.00 C ATOM 1310 O GLY A 87 -5.933 -2.417 -9.210 1.00 0.00 O ATOM 0 H GLY A 87 -8.087 -0.886 -8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.287 -1.503 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.487 -2.590 -6.803 1.00 0.00 H new ATOM 1314 N THR A 88 -4.613 -2.790 -7.427 1.00 0.00 N ATOM 1315 CA THR A 88 -3.523 -3.382 -8.182 1.00 0.00 C ATOM 1316 C THR A 88 -2.999 -4.625 -7.466 1.00 0.00 C ATOM 1317 O THR A 88 -2.528 -4.548 -6.331 1.00 0.00 O ATOM 1318 CB THR A 88 -2.365 -2.387 -8.374 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.883 -1.114 -8.784 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.375 -2.900 -9.412 1.00 0.00 C ATOM 0 H THR A 88 -4.435 -2.724 -6.425 1.00 0.00 H new ATOM 0 HA THR A 88 -3.914 -3.655 -9.162 1.00 0.00 H new ATOM 0 HB THR A 88 -1.842 -2.279 -7.424 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.075 -0.569 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.566 -2.180 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.965 -3.855 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.885 -3.033 -10.366 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.099 -5.765 -8.126 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.642 -7.025 -7.563 1.00 0.00 C ATOM 1330 C VAL A 89 -1.202 -7.300 -7.974 1.00 0.00 C ATOM 1331 O VAL A 89 -0.879 -7.282 -9.162 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.521 -8.203 -8.035 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -3.223 -9.451 -7.224 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.995 -7.850 -7.951 1.00 0.00 C ATOM 0 H VAL A 89 -3.497 -5.845 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.712 -6.938 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.282 -8.405 -9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.853 -10.270 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.174 -9.722 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.428 -9.258 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.592 -8.697 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.254 -7.613 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.199 -6.987 -8.584 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.336 -7.537 -7.000 1.00 0.00 N ATOM 1345 CA ILE A 90 1.056 -7.829 -7.295 1.00 0.00 C ATOM 1346 C ILE A 90 1.318 -9.327 -7.176 1.00 0.00 C ATOM 1347 O ILE A 90 0.928 -9.968 -6.195 1.00 0.00 O ATOM 1348 CB ILE A 90 2.034 -7.043 -6.382 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.484 -7.406 -6.727 1.00 0.00 C ATOM 1350 CG2 ILE A 90 1.751 -7.311 -4.908 1.00 0.00 C ATOM 1351 CD1 ILE A 90 4.517 -6.573 -6.001 1.00 0.00 C ATOM 0 H ILE A 90 -0.571 -7.533 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 90 1.240 -7.506 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 90 1.884 -5.978 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.650 -8.457 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.630 -7.292 -7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.453 -6.746 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.732 -7.003 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.865 -8.375 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.516 -6.891 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.380 -5.522 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.400 -6.705 -4.925 1.00 0.00 H new ATOM 1363 N TYR A 91 1.945 -9.890 -8.194 1.00 0.00 N ATOM 1364 CA TYR A 91 2.262 -11.306 -8.196 1.00 0.00 C ATOM 1365 C TYR A 91 3.621 -11.525 -7.556 1.00 0.00 C ATOM 1366 O TYR A 91 4.561 -10.770 -7.807 1.00 0.00 O ATOM 1367 CB TYR A 91 2.236 -11.863 -9.620 1.00 0.00 C ATOM 1368 CG TYR A 91 0.837 -12.100 -10.137 1.00 0.00 C ATOM 1369 CD1 TYR A 91 0.061 -11.049 -10.609 1.00 0.00 C ATOM 1370 CD2 TYR A 91 0.287 -13.374 -10.141 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -1.224 -11.262 -11.068 1.00 0.00 C ATOM 1372 CE2 TYR A 91 -0.996 -13.596 -10.603 1.00 0.00 C ATOM 1373 CZ TYR A 91 -1.747 -12.537 -11.064 1.00 0.00 C ATOM 1374 OH TYR A 91 -3.027 -12.753 -11.522 1.00 0.00 O ATOM 0 H TYR A 91 2.244 -9.388 -9.030 1.00 0.00 H new ATOM 0 HA TYR A 91 1.509 -11.839 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.750 -11.169 -10.285 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.791 -12.801 -9.647 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.469 -10.049 -10.617 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.872 -14.206 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.816 -10.434 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.408 -14.594 -10.603 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.595 -11.994 -11.274 1.00 0.00 H new ATOM 1384 N ASN A 92 3.718 -12.538 -6.715 1.00 0.00 N ATOM 1385 CA ASN A 92 4.966 -12.837 -6.033 1.00 0.00 C ATOM 1386 C ASN A 92 5.590 -14.108 -6.595 1.00 0.00 C ATOM 1387 O ASN A 92 4.931 -15.145 -6.670 1.00 0.00 O ATOM 1388 CB ASN A 92 4.728 -12.986 -4.527 1.00 0.00 C ATOM 1389 CG ASN A 92 5.935 -12.561 -3.712 1.00 0.00 C ATOM 1390 OD1 ASN A 92 6.695 -11.689 -4.126 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.113 -13.160 -2.547 1.00 0.00 N ATOM 0 H ASN A 92 2.949 -13.168 -6.487 1.00 0.00 H new ATOM 0 HA ASN A 92 5.655 -12.009 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.866 -12.386 -4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.486 -14.024 -4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.904 -12.902 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.459 -13.880 -2.238 1.00 0.00 H new ATOM 1398 N PRO A 93 6.872 -14.042 -6.994 1.00 0.00 N ATOM 1399 CA PRO A 93 7.597 -15.188 -7.560 1.00 0.00 C ATOM 1400 C PRO A 93 7.845 -16.294 -6.538 1.00 0.00 C ATOM 1401 O PRO A 93 8.373 -17.352 -6.873 1.00 0.00 O ATOM 1402 CB PRO A 93 8.924 -14.580 -8.019 1.00 0.00 C ATOM 1403 CG PRO A 93 9.099 -13.363 -7.186 1.00 0.00 C ATOM 1404 CD PRO A 93 7.717 -12.836 -6.936 1.00 0.00 C ATOM 0 HA PRO A 93 7.030 -15.667 -8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.749 -15.278 -7.875 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.898 -14.331 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.603 -13.600 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.713 -12.623 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.645 -12.342 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.424 -12.104 -7.689 1.00 0.00 H new ATOM 1412 N ARG A 94 7.459 -16.039 -5.291 1.00 0.00 N ATOM 1413 CA ARG A 94 7.624 -17.008 -4.217 1.00 0.00 C ATOM 1414 C ARG A 94 6.908 -18.306 -4.567 1.00 0.00 C ATOM 1415 O ARG A 94 7.500 -19.385 -4.543 1.00 0.00 O ATOM 1416 CB ARG A 94 7.071 -16.443 -2.908 1.00 0.00 C ATOM 1417 CG ARG A 94 7.964 -16.716 -1.713 1.00 0.00 C ATOM 1418 CD ARG A 94 9.312 -16.033 -1.864 1.00 0.00 C ATOM 1419 NE ARG A 94 10.282 -16.521 -0.890 1.00 0.00 N ATOM 1420 CZ ARG A 94 11.582 -16.244 -0.930 1.00 0.00 C ATOM 1421 NH1 ARG A 94 12.071 -15.452 -1.879 1.00 0.00 N ATOM 1422 NH2 ARG A 94 12.396 -16.760 -0.021 1.00 0.00 N ATOM 0 H ARG A 94 7.027 -15.162 -5.000 1.00 0.00 H new ATOM 0 HA ARG A 94 8.687 -17.214 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.935 -15.367 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.086 -16.872 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.476 -16.365 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.109 -17.791 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.693 -16.201 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.189 -14.957 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 94 9.942 -17.111 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.448 -15.053 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.069 -15.243 -1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.025 -17.369 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.393 -16.548 -0.051 1.00 0.00 H new ATOM 1436 N ASN A 95 5.633 -18.187 -4.898 1.00 0.00 N ATOM 1437 CA ASN A 95 4.828 -19.339 -5.273 1.00 0.00 C ATOM 1438 C ASN A 95 4.122 -19.074 -6.592 1.00 0.00 C ATOM 1439 O ASN A 95 3.194 -19.793 -6.964 1.00 0.00 O ATOM 1440 CB ASN A 95 3.804 -19.659 -4.183 1.00 0.00 C ATOM 1441 CG ASN A 95 4.396 -20.478 -3.056 1.00 0.00 C ATOM 1442 OD1 ASN A 95 4.900 -19.934 -2.073 1.00 0.00 O ATOM 1443 ND2 ASN A 95 4.344 -21.790 -3.193 1.00 0.00 N ATOM 0 H ASN A 95 5.130 -17.300 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 95 5.488 -20.199 -5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.403 -18.729 -3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.968 -20.202 -4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.731 -22.394 -2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.917 -22.199 -4.024 1.00 0.00 H new ATOM 1450 N LEU A 96 4.581 -18.035 -7.292 1.00 0.00 N ATOM 1451 CA LEU A 96 4.012 -17.640 -8.579 1.00 0.00 C ATOM 1452 C LEU A 96 2.505 -17.447 -8.456 1.00 0.00 C ATOM 1453 O LEU A 96 1.715 -18.097 -9.143 1.00 0.00 O ATOM 1454 CB LEU A 96 4.343 -18.677 -9.659 1.00 0.00 C ATOM 1455 CG LEU A 96 5.838 -18.883 -9.923 1.00 0.00 C ATOM 1456 CD1 LEU A 96 6.051 -19.867 -11.061 1.00 0.00 C ATOM 1457 CD2 LEU A 96 6.512 -17.557 -10.236 1.00 0.00 C ATOM 0 H LEU A 96 5.355 -17.447 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 96 4.456 -16.690 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.906 -19.633 -9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.863 -18.375 -10.590 1.00 0.00 H new ATOM 0 HG LEU A 96 6.290 -19.297 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.119 -19.999 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.604 -20.826 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.583 -19.482 -11.967 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.573 -17.723 -10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.054 -17.116 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.392 -16.880 -9.390 1.00 0.00 H new ATOM 1469 N GLN A 97 2.123 -16.547 -7.563 1.00 0.00 N ATOM 1470 CA GLN A 97 0.722 -16.258 -7.305 1.00 0.00 C ATOM 1471 C GLN A 97 0.577 -14.862 -6.709 1.00 0.00 C ATOM 1472 O GLN A 97 1.566 -14.278 -6.252 1.00 0.00 O ATOM 1473 CB GLN A 97 0.135 -17.307 -6.350 1.00 0.00 C ATOM 1474 CG GLN A 97 0.874 -17.408 -5.025 1.00 0.00 C ATOM 1475 CD GLN A 97 0.225 -18.391 -4.071 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -0.444 -19.332 -4.496 1.00 0.00 O ATOM 1477 NE2 GLN A 97 0.422 -18.187 -2.780 1.00 0.00 N ATOM 0 H GLN A 97 2.773 -15.999 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 97 0.174 -16.296 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.910 -17.064 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.150 -18.281 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.904 -17.712 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.911 -16.424 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.984 -17.394 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.013 -18.822 -2.095 1.00 0.00 H new ATOM 1486 N PRO A 98 -0.646 -14.300 -6.722 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.913 -12.971 -6.165 1.00 0.00 C ATOM 1488 C PRO A 98 -0.567 -12.895 -4.682 1.00 0.00 C ATOM 1489 O PRO A 98 -1.099 -13.656 -3.871 1.00 0.00 O ATOM 1490 CB PRO A 98 -2.421 -12.788 -6.360 1.00 0.00 C ATOM 1491 CG PRO A 98 -2.796 -13.744 -7.436 1.00 0.00 C ATOM 1492 CD PRO A 98 -1.864 -14.910 -7.290 1.00 0.00 C ATOM 0 HA PRO A 98 -0.313 -12.202 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.965 -12.999 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.659 -11.763 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.835 -14.059 -7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.696 -13.285 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -2.276 -15.675 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.665 -15.389 -8.249 1.00 0.00 H new ATOM 1500 N GLN A 99 0.324 -11.981 -4.334 1.00 0.00 N ATOM 1501 CA GLN A 99 0.736 -11.810 -2.951 1.00 0.00 C ATOM 1502 C GLN A 99 -0.298 -10.982 -2.200 1.00 0.00 C ATOM 1503 O GLN A 99 -1.015 -11.495 -1.339 1.00 0.00 O ATOM 1504 CB GLN A 99 2.113 -11.139 -2.886 1.00 0.00 C ATOM 1505 CG GLN A 99 2.696 -11.056 -1.482 1.00 0.00 C ATOM 1506 CD GLN A 99 2.799 -12.409 -0.804 1.00 0.00 C ATOM 1507 OE1 GLN A 99 2.997 -13.438 -1.455 1.00 0.00 O ATOM 1508 NE2 GLN A 99 2.668 -12.416 0.511 1.00 0.00 N ATOM 0 H GLN A 99 0.776 -11.345 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 99 0.809 -12.790 -2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.805 -11.690 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.035 -10.132 -3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.687 -10.604 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.075 -10.397 -0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.505 -11.543 1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.730 -13.295 1.025 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.389 -9.711 -2.557 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.333 -8.803 -1.929 1.00 0.00 C ATOM 1519 C CYS A 100 -1.896 -7.827 -2.959 1.00 0.00 C ATOM 1520 O CYS A 100 -1.308 -7.626 -4.025 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.655 -8.039 -0.788 1.00 0.00 C ATOM 1522 SG CYS A 100 0.060 -9.097 0.496 1.00 0.00 S ATOM 0 H CYS A 100 0.184 -9.283 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.156 -9.387 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.132 -7.411 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.385 -7.373 -0.328 1.00 0.00 H new ATOM 0 HG CYS A 100 1.333 -8.856 0.597 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.038 -7.235 -2.645 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.679 -6.285 -3.537 1.00 0.00 C ATOM 1530 C ILE A 101 -3.621 -4.878 -2.954 1.00 0.00 C ATOM 1531 O ILE A 101 -4.168 -4.610 -1.880 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.150 -6.665 -3.800 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.248 -8.121 -4.262 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.760 -5.734 -4.837 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.669 -8.626 -4.378 1.00 0.00 C ATOM 0 H ILE A 101 -3.542 -7.398 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.136 -6.311 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.709 -6.559 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.756 -8.220 -5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.703 -8.753 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.799 -6.015 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.718 -4.707 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.201 -5.812 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.660 -9.664 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.159 -8.560 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.213 -8.018 -5.101 1.00 0.00 H new ATOM 1547 N MET A 102 -2.956 -3.985 -3.668 1.00 0.00 N ATOM 1548 CA MET A 102 -2.820 -2.603 -3.237 1.00 0.00 C ATOM 1549 C MET A 102 -3.974 -1.783 -3.786 1.00 0.00 C ATOM 1550 O MET A 102 -4.099 -1.611 -4.998 1.00 0.00 O ATOM 1551 CB MET A 102 -1.484 -2.025 -3.712 1.00 0.00 C ATOM 1552 CG MET A 102 -0.273 -2.774 -3.178 1.00 0.00 C ATOM 1553 SD MET A 102 -0.087 -2.613 -1.391 1.00 0.00 S ATOM 1554 CE MET A 102 0.169 -0.846 -1.248 1.00 0.00 C ATOM 0 H MET A 102 -2.499 -4.195 -4.555 1.00 0.00 H new ATOM 0 HA MET A 102 -2.841 -2.566 -2.148 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.458 -2.039 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.420 -0.981 -3.405 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.361 -3.829 -3.436 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.626 -2.399 -3.668 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.644 -0.623 -0.292 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.811 -0.504 -2.060 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.791 -0.333 -1.304 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.831 -1.303 -2.900 1.00 0.00 N ATOM 1565 CA CYS A 103 -5.981 -0.516 -3.313 1.00 0.00 C ATOM 1566 C CYS A 103 -5.909 0.900 -2.754 1.00 0.00 C ATOM 1567 O CYS A 103 -5.571 1.105 -1.588 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.271 -1.189 -2.844 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.206 -2.995 -2.857 1.00 0.00 S ATOM 0 H CYS A 103 -4.753 -1.444 -1.893 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.975 -0.456 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.498 -0.851 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.092 -0.861 -3.481 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.396 -3.471 -3.074 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.207 1.871 -3.599 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.208 3.269 -3.199 1.00 0.00 C ATOM 1577 C VAL A 104 -7.640 3.788 -3.223 1.00 0.00 C ATOM 1578 O VAL A 104 -8.294 3.763 -4.266 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.327 4.133 -4.130 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.039 5.482 -3.495 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.030 3.415 -4.469 1.00 0.00 C ATOM 0 H VAL A 104 -6.454 1.715 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.792 3.339 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.876 4.299 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.418 6.075 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.977 6.006 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.515 5.335 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.427 4.043 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.476 3.212 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.255 2.475 -4.973 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.132 4.239 -2.078 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.505 4.727 -1.980 1.00 0.00 C ATOM 1593 C ASN A 105 -9.571 6.247 -2.080 1.00 0.00 C ATOM 1594 O ASN A 105 -8.751 6.956 -1.495 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.143 4.260 -0.671 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.612 4.630 -0.571 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.961 5.746 -0.193 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.484 3.692 -0.901 1.00 0.00 N ATOM 0 H ASN A 105 -7.605 4.278 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.062 4.312 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.038 3.178 -0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.604 4.699 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.484 3.884 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.156 2.777 -1.210 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.557 6.732 -2.826 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.754 8.160 -3.017 1.00 0.00 C ATOM 1607 C TYR A 106 -12.158 8.564 -2.567 1.00 0.00 C ATOM 1608 O TYR A 106 -13.148 8.237 -3.231 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.565 8.537 -4.492 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.399 7.849 -5.175 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.102 8.322 -5.024 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.599 6.734 -5.979 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.040 7.705 -5.656 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.541 6.109 -6.612 1.00 0.00 C ATOM 1615 CZ TYR A 106 -7.264 6.599 -6.447 1.00 0.00 C ATOM 1616 OH TYR A 106 -6.206 5.983 -7.079 1.00 0.00 O ATOM 0 H TYR A 106 -11.238 6.148 -3.312 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.014 8.689 -2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.480 8.298 -5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.425 9.616 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.921 9.186 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.599 6.349 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.038 8.088 -5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.714 5.242 -7.232 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.534 5.218 -7.596 1.00 0.00 H new ATOM 1626 N VAL A 107 -12.246 9.257 -1.438 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.533 9.706 -0.912 1.00 0.00 C ATOM 1628 C VAL A 107 -14.045 10.888 -1.728 1.00 0.00 C ATOM 1629 O VAL A 107 -13.516 11.996 -1.628 1.00 0.00 O ATOM 1630 CB VAL A 107 -13.428 10.122 0.572 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -14.805 10.405 1.153 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.719 9.049 1.382 1.00 0.00 C ATOM 0 H VAL A 107 -11.443 9.521 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.228 8.870 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.840 11.038 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.706 10.696 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.276 11.214 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.421 9.508 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.656 9.362 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.278 8.115 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.714 8.899 0.987 1.00 0.00 H new ATOM 1642 N LEU A 108 -15.064 10.650 -2.541 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.614 11.703 -3.387 1.00 0.00 C ATOM 1644 C LEU A 108 -16.972 12.185 -2.891 1.00 0.00 C ATOM 1645 O LEU A 108 -17.387 13.304 -3.197 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.736 11.208 -4.829 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.429 10.737 -5.468 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.646 10.404 -6.933 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.342 11.794 -5.315 1.00 0.00 C ATOM 0 H LEU A 108 -15.525 9.745 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.926 12.548 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.451 10.386 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.151 12.011 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.101 9.834 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.706 10.070 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.389 9.611 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.999 11.291 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.421 11.438 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.660 12.716 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.167 11.985 -4.256 1.00 0.00 H new ATOM 1661 N SER A 109 -17.666 11.357 -2.126 1.00 0.00 N ATOM 1662 CA SER A 109 -18.975 11.730 -1.617 1.00 0.00 C ATOM 1663 C SER A 109 -19.051 11.545 -0.107 1.00 0.00 C ATOM 1664 O SER A 109 -18.046 11.259 0.545 1.00 0.00 O ATOM 1665 CB SER A 109 -20.063 10.913 -2.311 1.00 0.00 C ATOM 1666 OG SER A 109 -20.038 11.130 -3.712 1.00 0.00 O ATOM 0 H SER A 109 -17.347 10.429 -1.846 1.00 0.00 H new ATOM 0 HA SER A 109 -19.135 12.786 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.919 9.853 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.040 11.187 -1.913 1.00 0.00 H new ATOM 0 HG SER A 109 -19.396 10.517 -4.127 1.00 0.00 H new ATOM 1672 N GLU A 110 -20.248 11.704 0.435 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.476 11.580 1.864 1.00 0.00 C ATOM 1674 C GLU A 110 -20.959 10.179 2.228 1.00 0.00 C ATOM 1675 O GLU A 110 -20.896 9.253 1.413 1.00 0.00 O ATOM 1676 CB GLU A 110 -21.493 12.632 2.330 1.00 0.00 C ATOM 1677 CG GLU A 110 -22.866 12.515 1.673 1.00 0.00 C ATOM 1678 CD GLU A 110 -22.877 13.016 0.243 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -23.043 14.234 0.035 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -22.703 12.195 -0.682 1.00 0.00 O ATOM 0 H GLU A 110 -21.087 11.922 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.528 11.750 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.612 12.551 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -21.090 13.624 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -23.185 11.473 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -23.593 13.080 2.257 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.426 10.034 3.458 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.919 8.764 3.956 1.00 0.00 C ATOM 1689 C ILE A 111 -23.441 8.779 4.037 1.00 0.00 C ATOM 1690 O ILE A 111 -24.034 9.731 4.548 1.00 0.00 O ATOM 1691 CB ILE A 111 -21.347 8.465 5.356 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.858 8.810 5.408 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.567 7.006 5.726 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.327 8.980 6.811 1.00 0.00 C ATOM 0 H ILE A 111 -21.473 10.794 4.137 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.596 7.988 3.262 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.873 9.085 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.293 8.023 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.687 9.730 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.156 6.816 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.635 6.788 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.068 6.367 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.265 9.223 6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.866 9.786 7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.466 8.053 7.367 1.00 0.00 H new ATOM 1706 N GLU A 112 -24.068 7.740 3.515 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.513 7.628 3.549 1.00 0.00 C ATOM 1708 C GLU A 112 -25.931 6.722 4.700 1.00 0.00 C ATOM 1709 O GLU A 112 -25.844 5.489 4.551 1.00 0.00 O ATOM 1710 CB GLU A 112 -26.050 7.086 2.218 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.215 8.150 1.143 1.00 0.00 C ATOM 1712 CD GLU A 112 -27.167 7.719 0.043 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -28.386 7.657 0.298 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -26.705 7.438 -1.083 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.322 7.250 5.762 1.00 0.00 O ATOM 0 H GLU A 112 -23.595 6.959 3.061 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.937 8.620 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.373 6.314 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -27.014 6.608 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -26.583 9.069 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -25.242 8.378 0.709 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 4.564 -13.747 12.584 1.00 1.33 N ATOM 1724 CA CYS B 7 4.143 -14.587 11.443 1.00 1.38 C ATOM 1725 C CYS B 7 3.910 -13.719 10.213 1.00 1.15 C ATOM 1726 O CYS B 7 2.785 -13.602 9.724 1.00 1.28 O ATOM 1727 CB CYS B 7 2.870 -15.360 11.797 1.00 1.79 C ATOM 1728 SG CYS B 7 3.093 -16.579 13.116 1.00 2.58 S ATOM 0 HA CYS B 7 4.934 -15.303 11.222 1.00 1.38 H new ATOM 0 HB2 CYS B 7 2.098 -14.651 12.098 1.00 1.79 H new ATOM 0 HB3 CYS B 7 2.505 -15.868 10.904 1.00 1.79 H new ATOM 0 HG CYS B 7 1.964 -17.180 13.347 1.00 2.58 H new ATOM 1736 N GLN B 8 4.974 -13.099 9.727 1.00 0.90 N ATOM 1737 CA GLN B 8 4.884 -12.235 8.562 1.00 0.76 C ATOM 1738 C GLN B 8 6.036 -12.502 7.596 1.00 0.65 C ATOM 1739 O GLN B 8 7.140 -12.863 8.014 1.00 0.64 O ATOM 1740 CB GLN B 8 4.869 -10.762 8.985 1.00 0.71 C ATOM 1741 CG GLN B 8 6.062 -10.341 9.827 1.00 0.89 C ATOM 1742 CD GLN B 8 5.761 -10.330 11.313 1.00 1.17 C ATOM 1743 OE1 GLN B 8 5.925 -11.335 12.003 1.00 1.79 O ATOM 1744 NE2 GLN B 8 5.308 -9.193 11.813 1.00 1.90 N ATOM 0 H GLN B 8 5.911 -13.179 10.122 1.00 0.90 H new ATOM 0 HA GLN B 8 3.950 -12.457 8.046 1.00 0.76 H new ATOM 0 HB2 GLN B 8 4.832 -10.140 8.091 1.00 0.71 H new ATOM 0 HB3 GLN B 8 3.956 -10.567 9.547 1.00 0.71 H new ATOM 0 HG2 GLN B 8 6.893 -11.019 9.635 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.385 -9.346 9.519 1.00 0.89 H new ATOM 0 HE21 GLN B 8 5.186 -8.382 11.207 1.00 1.90 H new ATOM 0 HE22 GLN B 8 5.081 -9.127 12.805 1.00 1.90 H new ATOM 1753 N PRO B 9 5.790 -12.343 6.290 1.00 0.64 N ATOM 1754 CA PRO B 9 6.799 -12.567 5.262 1.00 0.56 C ATOM 1755 C PRO B 9 7.641 -11.324 4.990 1.00 0.44 C ATOM 1756 O PRO B 9 7.496 -10.300 5.662 1.00 0.38 O ATOM 1757 CB PRO B 9 5.949 -12.912 4.046 1.00 0.61 C ATOM 1758 CG PRO B 9 4.713 -12.092 4.212 1.00 0.75 C ATOM 1759 CD PRO B 9 4.499 -11.936 5.700 1.00 0.77 C ATOM 0 HA PRO B 9 7.521 -13.334 5.543 1.00 0.56 H new ATOM 0 HB2 PRO B 9 6.466 -12.668 3.118 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.718 -13.977 4.012 1.00 0.61 H new ATOM 0 HG2 PRO B 9 4.825 -11.120 3.732 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.857 -12.581 3.746 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.247 -10.908 5.962 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.682 -12.565 6.054 1.00 0.77 H new ATOM 1767 N THR B 10 8.511 -11.418 3.996 1.00 0.43 N ATOM 1768 CA THR B 10 9.374 -10.309 3.623 1.00 0.37 C ATOM 1769 C THR B 10 8.631 -9.313 2.727 1.00 0.31 C ATOM 1770 O THR B 10 8.981 -9.136 1.561 1.00 0.39 O ATOM 1771 CB THR B 10 10.630 -10.818 2.885 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.902 -12.177 3.259 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.839 -9.957 3.209 1.00 0.62 C ATOM 0 H THR B 10 8.638 -12.257 3.430 1.00 0.43 H new ATOM 0 HA THR B 10 9.675 -9.805 4.541 1.00 0.37 H new ATOM 0 HB THR B 10 10.437 -10.762 1.814 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.699 -12.493 2.785 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.710 -10.338 2.676 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.646 -8.929 2.902 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.029 -9.986 4.282 1.00 0.62 H new ATOM 1781 N GLU B 11 7.595 -8.682 3.269 1.00 0.30 N ATOM 1782 CA GLU B 11 6.810 -7.708 2.518 1.00 0.31 C ATOM 1783 C GLU B 11 6.150 -6.718 3.471 1.00 0.27 C ATOM 1784 O GLU B 11 5.575 -7.117 4.483 1.00 0.31 O ATOM 1785 CB GLU B 11 5.740 -8.408 1.672 1.00 0.45 C ATOM 1786 CG GLU B 11 5.145 -7.516 0.592 1.00 1.13 C ATOM 1787 CD GLU B 11 3.713 -7.876 0.248 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.001 -8.419 1.117 1.00 1.83 O ATOM 1789 OE2 GLU B 11 3.280 -7.585 -0.883 1.00 1.65 O ATOM 0 H GLU B 11 7.279 -8.828 4.228 1.00 0.30 H new ATOM 0 HA GLU B 11 7.483 -7.169 1.851 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.177 -9.290 1.204 1.00 0.45 H new ATOM 0 HB3 GLU B 11 4.941 -8.757 2.326 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.183 -6.478 0.924 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.757 -7.586 -0.307 1.00 1.13 H new ATOM 1796 N PHE B 12 6.243 -5.431 3.155 1.00 0.30 N ATOM 1797 CA PHE B 12 5.644 -4.394 3.989 1.00 0.30 C ATOM 1798 C PHE B 12 5.568 -3.071 3.233 1.00 0.27 C ATOM 1799 O PHE B 12 6.290 -2.857 2.260 1.00 0.33 O ATOM 1800 CB PHE B 12 6.428 -4.217 5.301 1.00 0.35 C ATOM 1801 CG PHE B 12 7.587 -3.262 5.218 1.00 0.34 C ATOM 1802 CD1 PHE B 12 8.743 -3.610 4.542 1.00 0.39 C ATOM 1803 CD2 PHE B 12 7.522 -2.018 5.827 1.00 0.42 C ATOM 1804 CE1 PHE B 12 9.811 -2.738 4.472 1.00 0.42 C ATOM 1805 CE2 PHE B 12 8.587 -1.143 5.761 1.00 0.45 C ATOM 1806 CZ PHE B 12 9.733 -1.503 5.082 1.00 0.40 C ATOM 0 H PHE B 12 6.727 -5.081 2.328 1.00 0.30 H new ATOM 0 HA PHE B 12 4.631 -4.710 4.238 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.743 -3.868 6.073 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.800 -5.191 5.620 1.00 0.35 H new ATOM 0 HD1 PHE B 12 8.811 -4.576 4.063 1.00 0.39 H new ATOM 0 HD2 PHE B 12 6.627 -1.730 6.359 1.00 0.42 H new ATOM 0 HE1 PHE B 12 10.707 -3.022 3.940 1.00 0.42 H new ATOM 0 HE2 PHE B 12 8.524 -0.177 6.240 1.00 0.45 H new ATOM 0 HZ PHE B 12 10.567 -0.819 5.028 1.00 0.40 H new ATOM 1816 N ILE B 13 4.694 -2.189 3.690 1.00 0.27 N ATOM 1817 CA ILE B 13 4.518 -0.888 3.065 1.00 0.27 C ATOM 1818 C ILE B 13 5.351 0.172 3.778 1.00 0.29 C ATOM 1819 O ILE B 13 5.239 0.350 4.991 1.00 0.35 O ATOM 1820 CB ILE B 13 3.034 -0.466 3.074 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.192 -1.480 2.297 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.869 0.929 2.487 1.00 0.85 C ATOM 1823 CD1 ILE B 13 0.704 -1.230 2.385 1.00 1.40 C ATOM 0 H ILE B 13 4.092 -2.352 4.497 1.00 0.27 H new ATOM 0 HA ILE B 13 4.855 -0.972 2.032 1.00 0.27 H new ATOM 0 HB ILE B 13 2.686 -0.443 4.107 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.493 -1.462 1.250 1.00 0.98 H new ATOM 0 HG13 ILE B 13 2.406 -2.480 2.673 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.815 1.208 2.502 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.442 1.643 3.079 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.231 0.936 1.459 1.00 0.85 H new ATOM 0 HD11 ILE B 13 0.173 -1.988 1.810 1.00 1.40 H new ATOM 0 HD12 ILE B 13 0.388 -1.278 3.427 1.00 1.40 H new ATOM 0 HD13 ILE B 13 0.476 -0.243 1.982 1.00 1.40 H new ATOM 1835 N SER B 14 6.189 0.865 3.024 1.00 0.34 N ATOM 1836 CA SER B 14 7.033 1.909 3.579 1.00 0.42 C ATOM 1837 C SER B 14 6.531 3.282 3.135 1.00 0.35 C ATOM 1838 O SER B 14 6.918 3.787 2.077 1.00 0.40 O ATOM 1839 CB SER B 14 8.487 1.704 3.141 1.00 0.54 C ATOM 1840 OG SER B 14 8.685 0.401 2.614 1.00 1.47 O ATOM 0 H SER B 14 6.303 0.722 2.021 1.00 0.34 H new ATOM 0 HA SER B 14 6.988 1.857 4.667 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.751 2.447 2.389 1.00 0.54 H new ATOM 0 HB3 SER B 14 9.151 1.860 3.991 1.00 0.54 H new ATOM 0 HG SER B 14 8.206 0.316 1.763 1.00 1.47 H new ATOM 1846 N ARG B 15 5.652 3.874 3.936 1.00 0.31 N ATOM 1847 CA ARG B 15 5.093 5.183 3.622 1.00 0.31 C ATOM 1848 C ARG B 15 6.102 6.277 3.936 1.00 0.27 C ATOM 1849 O ARG B 15 6.469 6.488 5.097 1.00 0.29 O ATOM 1850 CB ARG B 15 3.802 5.419 4.405 1.00 0.42 C ATOM 1851 CG ARG B 15 2.747 4.354 4.162 1.00 0.54 C ATOM 1852 CD ARG B 15 1.648 4.406 5.208 1.00 0.90 C ATOM 1853 NE ARG B 15 0.786 5.573 5.047 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.395 5.714 5.644 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.857 4.773 6.455 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.113 6.802 5.422 1.00 2.69 N ATOM 0 H ARG B 15 5.311 3.468 4.807 1.00 0.31 H new ATOM 0 HA ARG B 15 4.863 5.211 2.557 1.00 0.31 H new ATOM 0 HB2 ARG B 15 4.033 5.455 5.470 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.394 6.393 4.134 1.00 0.42 H new ATOM 0 HG2 ARG B 15 2.314 4.490 3.171 1.00 0.54 H new ATOM 0 HG3 ARG B 15 3.214 3.369 4.173 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.045 3.500 5.144 1.00 0.90 H new ATOM 0 HD3 ARG B 15 2.096 4.422 6.202 1.00 0.90 H new ATOM 0 HE ARG B 15 1.109 6.326 4.440 1.00 1.40 H new ATOM 0 HH11 ARG B 15 -0.306 3.932 6.626 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.763 4.890 6.908 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -0.761 7.527 4.796 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.019 6.917 5.876 1.00 2.69 H new ATOM 1870 N HIS B 16 6.558 6.965 2.899 1.00 0.28 N ATOM 1871 CA HIS B 16 7.534 8.029 3.067 1.00 0.28 C ATOM 1872 C HIS B 16 7.415 9.056 1.952 1.00 0.32 C ATOM 1873 O HIS B 16 6.808 8.785 0.914 1.00 0.40 O ATOM 1874 CB HIS B 16 8.952 7.448 3.119 1.00 0.32 C ATOM 1875 CG HIS B 16 9.471 6.898 1.825 1.00 0.36 C ATOM 1876 ND1 HIS B 16 10.815 6.766 1.565 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.831 6.440 0.723 1.00 0.75 C ATOM 1878 CE1 HIS B 16 10.980 6.259 0.360 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.794 6.051 -0.171 1.00 0.61 N ATOM 0 H HIS B 16 6.268 6.805 1.934 1.00 0.28 H new ATOM 0 HA HIS B 16 7.331 8.534 4.012 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.633 8.227 3.462 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.974 6.654 3.866 1.00 0.32 H new ATOM 0 HD1 HIS B 16 11.567 7.021 2.205 1.00 0.54 H new ATOM 0 HD2 HIS B 16 7.762 6.391 0.576 1.00 0.75 H new ATOM 0 HE1 HIS B 16 11.928 6.050 -0.112 1.00 0.46 H new ATOM 1888 N ASN B 17 8.014 10.217 2.157 1.00 0.31 N ATOM 1889 CA ASN B 17 7.959 11.281 1.165 1.00 0.39 C ATOM 1890 C ASN B 17 8.930 11.008 0.011 1.00 0.35 C ATOM 1891 O ASN B 17 9.735 10.072 0.074 1.00 0.32 O ATOM 1892 CB ASN B 17 8.230 12.642 1.824 1.00 0.49 C ATOM 1893 CG ASN B 17 9.703 12.954 2.032 1.00 0.95 C ATOM 1894 OD1 ASN B 17 10.540 12.062 2.177 1.00 2.04 O ATOM 1895 ND2 ASN B 17 10.023 14.235 2.060 1.00 0.59 N ATOM 0 H ASN B 17 8.543 10.448 2.998 1.00 0.31 H new ATOM 0 HA ASN B 17 6.955 11.308 0.742 1.00 0.39 H new ATOM 0 HB2 ASN B 17 7.788 13.425 1.208 1.00 0.49 H new ATOM 0 HB3 ASN B 17 7.724 12.672 2.789 1.00 0.49 H new ATOM 0 HD21 ASN B 17 10.993 14.515 2.206 1.00 0.59 H new ATOM 0 HD22 ASN B 17 9.300 14.944 1.936 1.00 0.59 H new ATOM 1902 N ILE B 18 8.842 11.825 -1.036 1.00 0.40 N ATOM 1903 CA ILE B 18 9.683 11.679 -2.228 1.00 0.45 C ATOM 1904 C ILE B 18 11.181 11.779 -1.921 1.00 0.44 C ATOM 1905 O ILE B 18 12.005 11.239 -2.659 1.00 0.52 O ATOM 1906 CB ILE B 18 9.321 12.728 -3.302 1.00 0.53 C ATOM 1907 CG1 ILE B 18 9.486 14.148 -2.753 1.00 0.59 C ATOM 1908 CG2 ILE B 18 7.897 12.507 -3.790 1.00 0.57 C ATOM 1909 CD1 ILE B 18 9.309 15.229 -3.800 1.00 0.70 C ATOM 0 H ILE B 18 8.188 12.606 -1.085 1.00 0.40 H new ATOM 0 HA ILE B 18 9.482 10.677 -2.606 1.00 0.45 H new ATOM 0 HB ILE B 18 10.003 12.610 -4.144 1.00 0.53 H new ATOM 0 HG12 ILE B 18 8.761 14.306 -1.954 1.00 0.59 H new ATOM 0 HG13 ILE B 18 10.477 14.244 -2.308 1.00 0.59 H new ATOM 0 HG21 ILE B 18 7.652 13.252 -4.547 1.00 0.57 H new ATOM 0 HG22 ILE B 18 7.811 11.510 -4.221 1.00 0.57 H new ATOM 0 HG23 ILE B 18 7.206 12.601 -2.952 1.00 0.57 H new ATOM 0 HD11 ILE B 18 9.440 16.208 -3.338 1.00 0.70 H new ATOM 0 HD12 ILE B 18 10.051 15.097 -4.588 1.00 0.70 H new ATOM 0 HD13 ILE B 18 8.309 15.161 -4.228 1.00 0.70 H new ATOM 1921 N GLU B 19 11.530 12.464 -0.839 1.00 0.41 N ATOM 1922 CA GLU B 19 12.931 12.625 -0.462 1.00 0.45 C ATOM 1923 C GLU B 19 13.480 11.337 0.140 1.00 0.41 C ATOM 1924 O GLU B 19 14.680 11.065 0.077 1.00 0.51 O ATOM 1925 CB GLU B 19 13.095 13.772 0.533 1.00 0.50 C ATOM 1926 CG GLU B 19 12.599 15.110 0.010 1.00 0.65 C ATOM 1927 CD GLU B 19 12.766 16.223 1.021 1.00 1.21 C ATOM 1928 OE1 GLU B 19 11.890 16.370 1.896 1.00 1.92 O ATOM 1929 OE2 GLU B 19 13.778 16.950 0.949 1.00 1.28 O ATOM 0 H GLU B 19 10.867 12.915 -0.209 1.00 0.41 H new ATOM 0 HA GLU B 19 13.495 12.859 -1.365 1.00 0.45 H new ATOM 0 HB2 GLU B 19 12.556 13.527 1.448 1.00 0.50 H new ATOM 0 HB3 GLU B 19 14.148 13.863 0.798 1.00 0.50 H new ATOM 0 HG2 GLU B 19 13.142 15.365 -0.900 1.00 0.65 H new ATOM 0 HG3 GLU B 19 11.547 15.024 -0.261 1.00 0.65 H new ATOM 1936 N GLY B 20 12.601 10.549 0.736 1.00 0.33 N ATOM 1937 CA GLY B 20 13.025 9.302 1.325 1.00 0.32 C ATOM 1938 C GLY B 20 12.689 9.198 2.795 1.00 0.29 C ATOM 1939 O GLY B 20 12.647 8.093 3.334 1.00 0.34 O ATOM 0 H GLY B 20 11.605 10.751 0.822 1.00 0.33 H new ATOM 0 HA2 GLY B 20 12.555 8.476 0.791 1.00 0.32 H new ATOM 0 HA3 GLY B 20 14.102 9.193 1.196 1.00 0.32 H new ATOM 1943 N ILE B 21 12.434 10.339 3.430 1.00 0.27 N ATOM 1944 CA ILE B 21 12.104 10.381 4.854 1.00 0.28 C ATOM 1945 C ILE B 21 10.839 9.579 5.137 1.00 0.27 C ATOM 1946 O ILE B 21 9.754 9.933 4.670 1.00 0.31 O ATOM 1947 CB ILE B 21 11.909 11.831 5.350 1.00 0.32 C ATOM 1948 CG1 ILE B 21 13.162 12.668 5.070 1.00 0.37 C ATOM 1949 CG2 ILE B 21 11.573 11.849 6.837 1.00 0.41 C ATOM 1950 CD1 ILE B 21 14.381 12.240 5.863 1.00 0.47 C ATOM 0 H ILE B 21 12.450 11.253 2.978 1.00 0.27 H new ATOM 0 HA ILE B 21 12.944 9.940 5.391 1.00 0.28 H new ATOM 0 HB ILE B 21 11.073 12.271 4.805 1.00 0.32 H new ATOM 0 HG12 ILE B 21 13.395 12.610 4.007 1.00 0.37 H new ATOM 0 HG13 ILE B 21 12.945 13.713 5.292 1.00 0.37 H new ATOM 0 HG21 ILE B 21 11.439 12.879 7.167 1.00 0.41 H new ATOM 0 HG22 ILE B 21 10.653 11.291 7.009 1.00 0.41 H new ATOM 0 HG23 ILE B 21 12.386 11.390 7.399 1.00 0.41 H new ATOM 0 HD11 ILE B 21 15.225 12.881 5.608 1.00 0.47 H new ATOM 0 HD12 ILE B 21 14.170 12.325 6.929 1.00 0.47 H new ATOM 0 HD13 ILE B 21 14.626 11.205 5.623 1.00 0.47 H new ATOM 1962 N PHE B 22 10.988 8.496 5.887 1.00 0.25 N ATOM 1963 CA PHE B 22 9.864 7.631 6.220 1.00 0.27 C ATOM 1964 C PHE B 22 8.964 8.270 7.267 1.00 0.28 C ATOM 1965 O PHE B 22 9.434 8.751 8.296 1.00 0.35 O ATOM 1966 CB PHE B 22 10.362 6.277 6.729 1.00 0.31 C ATOM 1967 CG PHE B 22 11.169 5.503 5.723 1.00 0.33 C ATOM 1968 CD1 PHE B 22 10.554 4.623 4.849 1.00 0.36 C ATOM 1969 CD2 PHE B 22 12.547 5.650 5.661 1.00 0.38 C ATOM 1970 CE1 PHE B 22 11.296 3.905 3.931 1.00 0.44 C ATOM 1971 CE2 PHE B 22 13.294 4.933 4.747 1.00 0.45 C ATOM 1972 CZ PHE B 22 12.667 4.059 3.880 1.00 0.46 C ATOM 0 H PHE B 22 11.880 8.194 6.278 1.00 0.25 H new ATOM 0 HA PHE B 22 9.283 7.483 5.310 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.969 6.437 7.620 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.504 5.676 7.031 1.00 0.31 H new ATOM 0 HD1 PHE B 22 9.482 4.496 4.885 1.00 0.36 H new ATOM 0 HD2 PHE B 22 13.042 6.333 6.335 1.00 0.38 H new ATOM 0 HE1 PHE B 22 10.804 3.223 3.253 1.00 0.44 H new ATOM 0 HE2 PHE B 22 14.366 5.055 4.710 1.00 0.45 H new ATOM 0 HZ PHE B 22 13.248 3.497 3.164 1.00 0.46 H new ATOM 1982 N THR B 23 7.669 8.274 6.999 1.00 0.27 N ATOM 1983 CA THR B 23 6.704 8.842 7.922 1.00 0.30 C ATOM 1984 C THR B 23 6.125 7.750 8.819 1.00 0.27 C ATOM 1985 O THR B 23 5.963 7.939 10.025 1.00 0.33 O ATOM 1986 CB THR B 23 5.563 9.547 7.163 1.00 0.42 C ATOM 1987 OG1 THR B 23 6.107 10.377 6.126 1.00 1.35 O ATOM 1988 CG2 THR B 23 4.718 10.392 8.105 1.00 1.14 C ATOM 0 H THR B 23 7.262 7.889 6.147 1.00 0.27 H new ATOM 0 HA THR B 23 7.220 9.579 8.537 1.00 0.30 H new ATOM 0 HB THR B 23 4.924 8.781 6.722 1.00 0.42 H new ATOM 0 HG1 THR B 23 5.377 10.821 5.646 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.921 10.878 7.542 1.00 1.14 H new ATOM 0 HG22 THR B 23 4.283 9.754 8.874 1.00 1.14 H new ATOM 0 HG23 THR B 23 5.345 11.150 8.574 1.00 1.14 H new ATOM 1996 N PHE B 24 5.835 6.599 8.221 1.00 0.25 N ATOM 1997 CA PHE B 24 5.278 5.471 8.954 1.00 0.28 C ATOM 1998 C PHE B 24 5.425 4.189 8.144 1.00 0.26 C ATOM 1999 O PHE B 24 4.980 4.116 6.997 1.00 0.27 O ATOM 2000 CB PHE B 24 3.800 5.719 9.277 1.00 0.36 C ATOM 2001 CG PHE B 24 3.164 4.611 10.067 1.00 0.46 C ATOM 2002 CD1 PHE B 24 3.525 4.386 11.384 1.00 0.59 C ATOM 2003 CD2 PHE B 24 2.207 3.794 9.489 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.943 3.366 12.112 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.621 2.772 10.212 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.989 2.558 11.524 1.00 0.70 C ATOM 0 H PHE B 24 5.978 6.424 7.226 1.00 0.25 H new ATOM 0 HA PHE B 24 5.828 5.363 9.889 1.00 0.28 H new ATOM 0 HB2 PHE B 24 3.710 6.651 9.836 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.250 5.852 8.345 1.00 0.36 H new ATOM 0 HD1 PHE B 24 4.270 5.015 11.848 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.915 3.957 8.462 1.00 0.51 H new ATOM 0 HE1 PHE B 24 3.233 3.201 13.139 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.876 2.142 9.750 1.00 0.61 H new ATOM 0 HZ PHE B 24 1.532 1.760 12.091 1.00 0.70 H new ATOM 2016 N VAL B 25 6.060 3.191 8.733 1.00 0.26 N ATOM 2017 CA VAL B 25 6.253 1.915 8.061 1.00 0.27 C ATOM 2018 C VAL B 25 5.267 0.875 8.587 1.00 0.26 C ATOM 2019 O VAL B 25 4.663 1.051 9.649 1.00 0.25 O ATOM 2020 CB VAL B 25 7.699 1.389 8.213 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.679 2.275 7.455 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.087 1.293 9.680 1.00 0.78 C ATOM 0 H VAL B 25 6.451 3.238 9.674 1.00 0.26 H new ATOM 0 HA VAL B 25 6.069 2.084 7.000 1.00 0.27 H new ATOM 0 HB VAL B 25 7.742 0.388 7.783 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.690 1.886 7.576 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.418 2.284 6.397 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.631 3.290 7.849 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.108 0.921 9.763 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.022 2.280 10.139 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.409 0.610 10.192 1.00 0.78 H new ATOM 2032 N ASP B 26 5.109 -0.205 7.837 1.00 0.27 N ATOM 2033 CA ASP B 26 4.190 -1.277 8.203 1.00 0.29 C ATOM 2034 C ASP B 26 4.713 -2.085 9.395 1.00 0.24 C ATOM 2035 O ASP B 26 5.833 -1.886 9.868 1.00 0.22 O ATOM 2036 CB ASP B 26 3.963 -2.194 6.998 1.00 0.39 C ATOM 2037 CG ASP B 26 2.699 -3.032 7.099 1.00 0.48 C ATOM 2038 OD1 ASP B 26 1.980 -2.938 8.119 1.00 0.72 O ATOM 2039 OD2 ASP B 26 2.431 -3.804 6.159 1.00 0.78 O ATOM 0 H ASP B 26 5.610 -0.365 6.963 1.00 0.27 H new ATOM 0 HA ASP B 26 3.243 -0.827 8.502 1.00 0.29 H new ATOM 0 HB2 ASP B 26 3.915 -1.587 6.094 1.00 0.39 H new ATOM 0 HB3 ASP B 26 4.821 -2.858 6.891 1.00 0.39 H new ATOM 2044 N HIS B 27 3.891 -3.014 9.852 1.00 0.26 N ATOM 2045 CA HIS B 27 4.206 -3.871 10.990 1.00 0.26 C ATOM 2046 C HIS B 27 5.137 -5.005 10.575 1.00 0.23 C ATOM 2047 O HIS B 27 5.519 -5.843 11.391 1.00 0.26 O ATOM 2048 CB HIS B 27 2.917 -4.485 11.562 1.00 0.34 C ATOM 2049 CG HIS B 27 1.789 -3.515 11.792 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.079 -2.918 10.766 1.00 0.70 N ATOM 2051 CD2 HIS B 27 1.225 -3.069 12.941 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.135 -2.148 11.277 1.00 0.86 C ATOM 2053 NE2 HIS B 27 0.199 -2.223 12.594 1.00 0.83 N ATOM 0 H HIS B 27 2.976 -3.199 9.441 1.00 0.26 H new ATOM 0 HA HIS B 27 4.697 -3.256 11.744 1.00 0.26 H new ATOM 0 HB2 HIS B 27 2.572 -5.263 10.881 1.00 0.34 H new ATOM 0 HB3 HIS B 27 3.155 -4.971 12.508 1.00 0.34 H new ATOM 0 HD1 HIS B 27 1.257 -3.051 9.770 1.00 0.70 H new ATOM 0 HD2 HIS B 27 1.526 -3.330 13.945 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.571 -1.556 10.713 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -0.413 -1.733 13.247 1.00 0.83 H new ATOM 2062 N ARG B 28 5.504 -5.030 9.303 1.00 0.24 N ATOM 2063 CA ARG B 28 6.362 -6.084 8.781 1.00 0.27 C ATOM 2064 C ARG B 28 7.729 -5.543 8.358 1.00 0.24 C ATOM 2065 O ARG B 28 8.432 -6.166 7.563 1.00 0.28 O ATOM 2066 CB ARG B 28 5.667 -6.764 7.597 1.00 0.35 C ATOM 2067 CG ARG B 28 4.386 -7.494 7.979 1.00 0.48 C ATOM 2068 CD ARG B 28 3.394 -7.563 6.824 1.00 0.56 C ATOM 2069 NE ARG B 28 2.452 -6.443 6.847 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.204 -6.520 7.317 1.00 1.26 C ATOM 2071 NH1 ARG B 28 0.717 -7.672 7.768 1.00 1.61 N ATOM 2072 NH2 ARG B 28 0.442 -5.436 7.325 1.00 1.87 N ATOM 0 H ARG B 28 5.222 -4.334 8.613 1.00 0.24 H new ATOM 0 HA ARG B 28 6.534 -6.812 9.574 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.436 -6.013 6.842 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.357 -7.473 7.140 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.630 -8.505 8.306 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.921 -6.988 8.825 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.937 -7.562 5.879 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.843 -8.502 6.874 1.00 0.56 H new ATOM 0 HE ARG B 28 2.769 -5.546 6.480 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.298 -8.510 7.758 1.00 1.61 H new ATOM 0 HH12 ARG B 28 -0.238 -7.718 8.124 1.00 1.61 H new ATOM 0 HH21 ARG B 28 0.810 -4.552 6.974 1.00 1.87 H new ATOM 0 HH22 ARG B 28 -0.512 -5.486 7.682 1.00 1.87 H new ATOM 2086 N CYS B 29 8.110 -4.394 8.906 1.00 0.21 N ATOM 2087 CA CYS B 29 9.394 -3.773 8.579 1.00 0.22 C ATOM 2088 C CYS B 29 10.557 -4.557 9.186 1.00 0.22 C ATOM 2089 O CYS B 29 11.665 -4.581 8.647 1.00 0.25 O ATOM 2090 CB CYS B 29 9.420 -2.331 9.087 1.00 0.27 C ATOM 2091 SG CYS B 29 9.028 -2.173 10.845 1.00 1.34 S ATOM 0 H CYS B 29 7.549 -3.872 9.579 1.00 0.21 H new ATOM 0 HA CYS B 29 9.507 -3.779 7.495 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.408 -1.909 8.905 1.00 0.27 H new ATOM 0 HB3 CYS B 29 8.709 -1.739 8.511 1.00 0.27 H new ATOM 0 HG CYS B 29 10.123 -2.246 11.542 1.00 1.34 H new ATOM 2097 N VAL B 30 10.289 -5.207 10.310 1.00 0.24 N ATOM 2098 CA VAL B 30 11.304 -5.989 11.002 1.00 0.31 C ATOM 2099 C VAL B 30 11.475 -7.357 10.343 1.00 0.33 C ATOM 2100 O VAL B 30 12.465 -8.049 10.570 1.00 0.38 O ATOM 2101 CB VAL B 30 10.952 -6.176 12.496 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.196 -6.513 13.303 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.277 -4.930 13.050 1.00 0.92 C ATOM 0 H VAL B 30 9.375 -5.208 10.763 1.00 0.24 H new ATOM 0 HA VAL B 30 12.241 -5.437 10.933 1.00 0.31 H new ATOM 0 HB VAL B 30 10.254 -7.009 12.579 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.926 -6.640 14.351 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.635 -7.437 12.926 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.920 -5.703 13.211 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.038 -5.083 14.102 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.949 -4.078 12.951 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.360 -4.735 12.494 1.00 0.92 H new ATOM 2113 N ALA B 31 10.515 -7.733 9.509 1.00 0.34 N ATOM 2114 CA ALA B 31 10.561 -9.018 8.825 1.00 0.40 C ATOM 2115 C ALA B 31 11.312 -8.907 7.505 1.00 0.39 C ATOM 2116 O ALA B 31 11.773 -9.903 6.951 1.00 0.45 O ATOM 2117 CB ALA B 31 9.154 -9.535 8.586 1.00 0.46 C ATOM 0 H ALA B 31 9.695 -7.167 9.290 1.00 0.34 H new ATOM 0 HA ALA B 31 11.095 -9.723 9.462 1.00 0.40 H new ATOM 0 HB1 ALA B 31 9.202 -10.496 8.074 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.644 -9.658 9.542 1.00 0.46 H new ATOM 0 HB3 ALA B 31 8.604 -8.823 7.970 1.00 0.46 H new ATOM 2123 N THR B 32 11.431 -7.690 7.006 1.00 0.36 N ATOM 2124 CA THR B 32 12.116 -7.448 5.751 1.00 0.38 C ATOM 2125 C THR B 32 13.620 -7.294 5.957 1.00 0.42 C ATOM 2126 O THR B 32 14.394 -8.209 5.674 1.00 0.48 O ATOM 2127 CB THR B 32 11.559 -6.188 5.076 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.763 -5.463 6.020 1.00 0.36 O ATOM 2129 CG2 THR B 32 10.715 -6.545 3.864 1.00 0.44 C ATOM 0 H THR B 32 11.060 -6.852 7.453 1.00 0.36 H new ATOM 0 HA THR B 32 11.944 -8.312 5.110 1.00 0.38 H new ATOM 0 HB THR B 32 12.394 -5.574 4.739 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.225 -4.793 5.548 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.333 -5.633 3.405 1.00 0.44 H new ATOM 0 HG22 THR B 32 11.326 -7.086 3.142 1.00 0.44 H new ATOM 0 HG23 THR B 32 9.879 -7.172 4.174 1.00 0.44 H new ATOM 2137 N VAL B 33 14.022 -6.141 6.472 1.00 0.42 N ATOM 2138 CA VAL B 33 15.434 -5.858 6.703 1.00 0.52 C ATOM 2139 C VAL B 33 15.764 -5.860 8.191 1.00 0.57 C ATOM 2140 O VAL B 33 16.894 -5.580 8.588 1.00 0.99 O ATOM 2141 CB VAL B 33 15.836 -4.501 6.093 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.909 -4.597 4.579 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.859 -3.413 6.513 1.00 0.51 C ATOM 0 H VAL B 33 13.391 -5.385 6.738 1.00 0.42 H new ATOM 0 HA VAL B 33 16.002 -6.650 6.215 1.00 0.52 H new ATOM 0 HB VAL B 33 16.824 -4.237 6.469 1.00 0.56 H new ATOM 0 HG11 VAL B 33 16.194 -3.629 4.166 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.651 -5.344 4.297 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.935 -4.886 4.185 1.00 0.67 H new ATOM 0 HG21 VAL B 33 15.161 -2.463 6.072 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.857 -3.671 6.169 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.858 -3.324 7.599 1.00 0.51 H new ATOM 2153 N GLY B 34 14.770 -6.177 9.010 1.00 0.36 N ATOM 2154 CA GLY B 34 14.972 -6.212 10.445 1.00 0.38 C ATOM 2155 C GLY B 34 15.150 -4.831 11.039 1.00 0.33 C ATOM 2156 O GLY B 34 15.877 -4.657 12.018 1.00 0.38 O ATOM 0 H GLY B 34 13.825 -6.411 8.705 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.119 -6.700 10.917 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.850 -6.817 10.670 1.00 0.38 H new ATOM 2160 N TYR B 35 14.484 -3.847 10.456 1.00 0.32 N ATOM 2161 CA TYR B 35 14.581 -2.478 10.938 1.00 0.31 C ATOM 2162 C TYR B 35 13.345 -2.087 11.732 1.00 0.29 C ATOM 2163 O TYR B 35 12.222 -2.477 11.395 1.00 0.35 O ATOM 2164 CB TYR B 35 14.760 -1.507 9.772 1.00 0.33 C ATOM 2165 CG TYR B 35 16.201 -1.245 9.394 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.235 -1.446 10.302 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.524 -0.781 8.128 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.547 -1.192 9.954 1.00 0.39 C ATOM 2169 CE2 TYR B 35 17.833 -0.529 7.773 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.839 -0.734 8.688 1.00 0.30 C ATOM 2171 OH TYR B 35 20.142 -0.478 8.333 1.00 0.34 O ATOM 0 H TYR B 35 13.871 -3.970 9.650 1.00 0.32 H new ATOM 0 HA TYR B 35 15.452 -2.423 11.591 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.235 -1.902 8.902 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.286 -0.559 10.028 1.00 0.33 H new ATOM 0 HD1 TYR B 35 17.008 -1.806 11.295 1.00 0.39 H new ATOM 0 HD2 TYR B 35 15.737 -0.614 7.407 1.00 0.30 H new ATOM 0 HE1 TYR B 35 19.340 -1.351 10.670 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.067 -0.172 6.781 1.00 0.30 H new ATOM 0 HH TYR B 35 20.189 0.375 7.853 1.00 0.34 H new ATOM 2181 N GLN B 36 13.560 -1.318 12.786 1.00 0.30 N ATOM 2182 CA GLN B 36 12.470 -0.847 13.623 1.00 0.31 C ATOM 2183 C GLN B 36 11.872 0.412 13.010 1.00 0.30 C ATOM 2184 O GLN B 36 12.582 1.186 12.371 1.00 0.35 O ATOM 2185 CB GLN B 36 12.969 -0.566 15.044 1.00 0.40 C ATOM 2186 CG GLN B 36 13.560 -1.787 15.735 1.00 0.42 C ATOM 2187 CD GLN B 36 12.573 -2.934 15.849 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.363 -2.725 15.933 1.00 1.63 O ATOM 2189 NE2 GLN B 36 13.081 -4.156 15.846 1.00 1.29 N ATOM 0 H GLN B 36 14.484 -1.005 13.083 1.00 0.30 H new ATOM 0 HA GLN B 36 11.702 -1.618 13.681 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.723 0.220 15.006 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.141 -0.186 15.642 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.437 -2.122 15.182 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.900 -1.506 16.732 1.00 0.42 H new ATOM 0 HE21 GLN B 36 14.090 -4.289 15.775 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.464 -4.965 15.915 1.00 1.29 H new ATOM 2198 N PRO B 37 10.562 0.639 13.193 1.00 0.33 N ATOM 2199 CA PRO B 37 9.873 1.809 12.635 1.00 0.35 C ATOM 2200 C PRO B 37 10.571 3.128 12.960 1.00 0.31 C ATOM 2201 O PRO B 37 10.663 4.021 12.117 1.00 0.30 O ATOM 2202 CB PRO B 37 8.498 1.758 13.304 1.00 0.43 C ATOM 2203 CG PRO B 37 8.288 0.318 13.611 1.00 0.49 C ATOM 2204 CD PRO B 37 9.643 -0.228 13.956 1.00 0.40 C ATOM 0 HA PRO B 37 9.844 1.774 11.546 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.474 2.365 14.209 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.720 2.141 12.643 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.593 0.192 14.441 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.861 -0.206 12.756 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.837 -0.176 15.027 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.742 -1.274 13.665 1.00 0.40 H new ATOM 2212 N GLN B 38 11.084 3.229 14.178 1.00 0.33 N ATOM 2213 CA GLN B 38 11.762 4.434 14.642 1.00 0.35 C ATOM 2214 C GLN B 38 13.130 4.613 13.985 1.00 0.34 C ATOM 2215 O GLN B 38 13.718 5.693 14.049 1.00 0.33 O ATOM 2216 CB GLN B 38 11.910 4.397 16.165 1.00 0.46 C ATOM 2217 CG GLN B 38 10.581 4.361 16.903 1.00 0.57 C ATOM 2218 CD GLN B 38 10.106 2.951 17.202 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.497 1.989 16.536 1.00 2.03 O ATOM 2220 NE2 GLN B 38 9.251 2.820 18.197 1.00 1.34 N ATOM 0 H GLN B 38 11.043 2.482 14.871 1.00 0.33 H new ATOM 0 HA GLN B 38 11.148 5.288 14.355 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.495 3.521 16.444 1.00 0.46 H new ATOM 0 HB3 GLN B 38 12.473 5.273 16.489 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.676 4.912 17.838 1.00 0.57 H new ATOM 0 HG3 GLN B 38 9.827 4.874 16.306 1.00 0.57 H new ATOM 0 HE21 GLN B 38 8.952 3.641 18.724 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.889 1.898 18.440 1.00 1.34 H new ATOM 2229 N GLU B 39 13.636 3.562 13.352 1.00 0.39 N ATOM 2230 CA GLU B 39 14.932 3.630 12.686 1.00 0.44 C ATOM 2231 C GLU B 39 14.793 4.278 11.315 1.00 0.44 C ATOM 2232 O GLU B 39 15.754 4.830 10.779 1.00 0.53 O ATOM 2233 CB GLU B 39 15.549 2.239 12.533 1.00 0.55 C ATOM 2234 CG GLU B 39 15.932 1.589 13.849 1.00 0.59 C ATOM 2235 CD GLU B 39 16.758 0.337 13.653 1.00 1.16 C ATOM 2236 OE1 GLU B 39 16.167 -0.747 13.473 1.00 1.69 O ATOM 2237 OE2 GLU B 39 18.006 0.434 13.685 1.00 1.59 O ATOM 0 H GLU B 39 13.172 2.656 13.285 1.00 0.39 H new ATOM 0 HA GLU B 39 15.591 4.236 13.308 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.841 1.594 12.012 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.436 2.313 11.904 1.00 0.55 H new ATOM 0 HG2 GLU B 39 16.494 2.301 14.453 1.00 0.59 H new ATOM 0 HG3 GLU B 39 15.028 1.342 14.406 1.00 0.59 H new ATOM 2244 N LEU B 40 13.592 4.209 10.757 1.00 0.41 N ATOM 2245 CA LEU B 40 13.325 4.782 9.445 1.00 0.44 C ATOM 2246 C LEU B 40 12.830 6.220 9.578 1.00 0.40 C ATOM 2247 O LEU B 40 12.891 7.004 8.628 1.00 0.45 O ATOM 2248 CB LEU B 40 12.289 3.939 8.687 1.00 0.50 C ATOM 2249 CG LEU B 40 12.757 2.556 8.207 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.247 2.552 7.895 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.417 1.483 9.232 1.00 1.24 C ATOM 0 H LEU B 40 12.786 3.761 11.193 1.00 0.41 H new ATOM 0 HA LEU B 40 14.257 4.782 8.880 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.421 3.802 9.332 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.954 4.507 7.819 1.00 0.50 H new ATOM 0 HG LEU B 40 12.224 2.329 7.284 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.546 1.559 7.558 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.456 3.279 7.111 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.807 2.814 8.792 1.00 1.10 H new ATOM 0 HD21 LEU B 40 12.758 0.513 8.870 1.00 1.24 H new ATOM 0 HD22 LEU B 40 12.911 1.712 10.176 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.338 1.455 9.385 1.00 1.24 H new ATOM 2263 N LEU B 41 12.343 6.563 10.766 1.00 0.34 N ATOM 2264 CA LEU B 41 11.837 7.905 11.026 1.00 0.34 C ATOM 2265 C LEU B 41 12.969 8.919 10.974 1.00 0.38 C ATOM 2266 O LEU B 41 13.991 8.755 11.641 1.00 0.43 O ATOM 2267 CB LEU B 41 11.144 7.966 12.390 1.00 0.29 C ATOM 2268 CG LEU B 41 9.944 7.032 12.553 1.00 0.28 C ATOM 2269 CD1 LEU B 41 9.358 7.159 13.950 1.00 0.30 C ATOM 2270 CD2 LEU B 41 8.883 7.327 11.502 1.00 0.30 C ATOM 0 H LEU B 41 12.288 5.930 11.564 1.00 0.34 H new ATOM 0 HA LEU B 41 11.109 8.149 10.253 1.00 0.34 H new ATOM 0 HB2 LEU B 41 11.876 7.729 13.162 1.00 0.29 H new ATOM 0 HB3 LEU B 41 10.814 8.990 12.567 1.00 0.29 H new ATOM 0 HG LEU B 41 10.288 6.007 12.412 1.00 0.28 H new ATOM 0 HD11 LEU B 41 8.505 6.488 14.049 1.00 0.30 H new ATOM 0 HD12 LEU B 41 10.116 6.895 14.688 1.00 0.30 H new ATOM 0 HD13 LEU B 41 9.033 8.186 14.116 1.00 0.30 H new ATOM 0 HD21 LEU B 41 8.039 6.651 11.637 1.00 0.30 H new ATOM 0 HD22 LEU B 41 8.543 8.357 11.607 1.00 0.30 H new ATOM 0 HD23 LEU B 41 9.306 7.185 10.508 1.00 0.30 H new ATOM 2282 N GLY B 42 12.791 9.958 10.169 1.00 0.43 N ATOM 2283 CA GLY B 42 13.809 10.984 10.038 1.00 0.51 C ATOM 2284 C GLY B 42 15.018 10.500 9.261 1.00 0.49 C ATOM 2285 O GLY B 42 16.099 11.088 9.343 1.00 0.53 O ATOM 0 H GLY B 42 11.957 10.110 9.602 1.00 0.43 H new ATOM 0 HA2 GLY B 42 13.383 11.854 9.538 1.00 0.51 H new ATOM 0 HA3 GLY B 42 14.124 11.309 11.030 1.00 0.51 H new ATOM 2289 N LYS B 43 14.842 9.423 8.515 1.00 0.46 N ATOM 2290 CA LYS B 43 15.917 8.854 7.722 1.00 0.47 C ATOM 2291 C LYS B 43 15.481 8.693 6.274 1.00 0.40 C ATOM 2292 O LYS B 43 14.299 8.484 5.993 1.00 0.50 O ATOM 2293 CB LYS B 43 16.347 7.505 8.299 1.00 0.57 C ATOM 2294 CG LYS B 43 17.155 7.620 9.583 1.00 0.73 C ATOM 2295 CD LYS B 43 18.644 7.755 9.301 1.00 0.81 C ATOM 2296 CE LYS B 43 19.168 9.136 9.665 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.716 10.182 8.709 1.00 2.45 N ATOM 0 H LYS B 43 13.957 8.922 8.442 1.00 0.46 H new ATOM 0 HA LYS B 43 16.768 9.534 7.755 1.00 0.47 H new ATOM 0 HB2 LYS B 43 15.459 6.902 8.491 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.939 6.973 7.554 1.00 0.57 H new ATOM 0 HG2 LYS B 43 16.813 8.484 10.152 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.980 6.741 10.203 1.00 0.73 H new ATOM 0 HD2 LYS B 43 19.190 6.999 9.865 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.832 7.562 8.245 1.00 0.81 H new ATOM 0 HE2 LYS B 43 18.833 9.396 10.669 1.00 1.70 H new ATOM 0 HE3 LYS B 43 20.258 9.114 9.688 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 19.407 10.959 8.693 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 18.635 9.771 7.757 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 17.789 10.548 9.007 1.00 2.45 H new ATOM 2311 N ASN B 44 16.433 8.804 5.365 1.00 0.32 N ATOM 2312 CA ASN B 44 16.153 8.678 3.945 1.00 0.29 C ATOM 2313 C ASN B 44 16.345 7.242 3.491 1.00 0.28 C ATOM 2314 O ASN B 44 17.225 6.538 3.981 1.00 0.30 O ATOM 2315 CB ASN B 44 17.073 9.584 3.123 1.00 0.30 C ATOM 2316 CG ASN B 44 16.845 11.058 3.378 1.00 0.91 C ATOM 2317 OD1 ASN B 44 17.397 11.627 4.319 1.00 1.92 O ATOM 2318 ND2 ASN B 44 16.053 11.696 2.529 1.00 0.70 N ATOM 0 H ASN B 44 17.413 8.982 5.586 1.00 0.32 H new ATOM 0 HA ASN B 44 15.117 8.979 3.786 1.00 0.29 H new ATOM 0 HB2 ASN B 44 18.110 9.339 3.351 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.922 9.378 2.063 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.882 12.695 2.643 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.614 11.188 1.761 1.00 0.70 H new ATOM 2325 N ILE B 45 15.534 6.819 2.536 1.00 0.25 N ATOM 2326 CA ILE B 45 15.626 5.466 2.000 1.00 0.25 C ATOM 2327 C ILE B 45 16.944 5.282 1.248 1.00 0.24 C ATOM 2328 O ILE B 45 17.455 4.173 1.125 1.00 0.31 O ATOM 2329 CB ILE B 45 14.434 5.160 1.061 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.414 3.679 0.672 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.496 6.036 -0.180 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.145 3.249 -0.035 1.00 0.28 C ATOM 0 H ILE B 45 14.803 7.391 2.114 1.00 0.25 H new ATOM 0 HA ILE B 45 15.593 4.768 2.837 1.00 0.25 H new ATOM 0 HB ILE B 45 13.512 5.383 1.597 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.267 3.471 0.026 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.540 3.075 1.571 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.651 5.808 -0.829 1.00 0.24 H new ATOM 0 HG22 ILE B 45 14.456 7.085 0.113 1.00 0.24 H new ATOM 0 HG23 ILE B 45 15.426 5.844 -0.715 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.206 2.188 -0.278 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.289 3.423 0.616 1.00 0.28 H new ATOM 0 HD13 ILE B 45 13.026 3.826 -0.952 1.00 0.28 H new ATOM 2344 N VAL B 46 17.499 6.394 0.774 1.00 0.21 N ATOM 2345 CA VAL B 46 18.752 6.377 0.032 1.00 0.23 C ATOM 2346 C VAL B 46 19.939 6.111 0.963 1.00 0.23 C ATOM 2347 O VAL B 46 20.978 5.610 0.531 1.00 0.29 O ATOM 2348 CB VAL B 46 18.960 7.707 -0.735 1.00 0.26 C ATOM 2349 CG1 VAL B 46 19.243 8.862 0.215 1.00 1.08 C ATOM 2350 CG2 VAL B 46 20.068 7.574 -1.768 1.00 1.15 C ATOM 0 H VAL B 46 17.096 7.323 0.893 1.00 0.21 H new ATOM 0 HA VAL B 46 18.695 5.565 -0.693 1.00 0.23 H new ATOM 0 HB VAL B 46 18.031 7.930 -1.259 1.00 0.26 H new ATOM 0 HG11 VAL B 46 19.384 9.778 -0.358 1.00 1.08 H new ATOM 0 HG12 VAL B 46 18.402 8.986 0.897 1.00 1.08 H new ATOM 0 HG13 VAL B 46 20.146 8.650 0.787 1.00 1.08 H new ATOM 0 HG21 VAL B 46 20.193 8.522 -2.292 1.00 1.15 H new ATOM 0 HG22 VAL B 46 21.000 7.309 -1.269 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.806 6.795 -2.484 1.00 1.15 H new ATOM 2360 N GLU B 47 19.765 6.421 2.248 1.00 0.23 N ATOM 2361 CA GLU B 47 20.816 6.215 3.237 1.00 0.27 C ATOM 2362 C GLU B 47 21.040 4.727 3.470 1.00 0.25 C ATOM 2363 O GLU B 47 22.174 4.262 3.583 1.00 0.35 O ATOM 2364 CB GLU B 47 20.454 6.901 4.556 1.00 0.34 C ATOM 2365 CG GLU B 47 20.251 8.403 4.427 1.00 0.42 C ATOM 2366 CD GLU B 47 20.087 9.087 5.767 1.00 1.07 C ATOM 2367 OE1 GLU B 47 21.107 9.508 6.354 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.939 9.218 6.239 1.00 1.96 O ATOM 0 H GLU B 47 18.904 6.816 2.626 1.00 0.23 H new ATOM 0 HA GLU B 47 21.737 6.655 2.855 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.542 6.452 4.951 1.00 0.34 H new ATOM 0 HB3 GLU B 47 21.243 6.711 5.283 1.00 0.34 H new ATOM 0 HG2 GLU B 47 21.103 8.837 3.904 1.00 0.42 H new ATOM 0 HG3 GLU B 47 19.370 8.595 3.815 1.00 0.42 H new ATOM 2375 N PHE B 48 19.949 3.978 3.522 1.00 0.22 N ATOM 2376 CA PHE B 48 20.024 2.542 3.736 1.00 0.26 C ATOM 2377 C PHE B 48 19.949 1.811 2.402 1.00 0.26 C ATOM 2378 O PHE B 48 19.612 0.630 2.344 1.00 0.33 O ATOM 2379 CB PHE B 48 18.891 2.077 4.651 1.00 0.32 C ATOM 2380 CG PHE B 48 18.804 2.840 5.940 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.771 2.685 6.920 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.751 3.708 6.173 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.689 3.383 8.108 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.664 4.409 7.359 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.634 4.246 8.328 1.00 0.46 C ATOM 0 H PHE B 48 19.001 4.341 3.419 1.00 0.22 H new ATOM 0 HA PHE B 48 20.975 2.312 4.216 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.944 2.171 4.119 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.027 1.019 4.874 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.598 2.011 6.753 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.989 3.838 5.419 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.449 3.254 8.864 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.838 5.084 7.529 1.00 0.45 H new ATOM 0 HZ PHE B 48 18.568 4.793 9.257 1.00 0.46 H new ATOM 2395 N CYS B 49 20.255 2.525 1.333 1.00 0.23 N ATOM 2396 CA CYS B 49 20.225 1.953 -0.002 1.00 0.28 C ATOM 2397 C CYS B 49 21.638 1.742 -0.524 1.00 0.30 C ATOM 2398 O CYS B 49 22.547 2.516 -0.212 1.00 0.38 O ATOM 2399 CB CYS B 49 19.442 2.862 -0.957 1.00 0.31 C ATOM 2400 SG CYS B 49 19.310 2.229 -2.648 1.00 1.17 S ATOM 0 H CYS B 49 20.529 3.507 1.364 1.00 0.23 H new ATOM 0 HA CYS B 49 19.724 0.986 0.052 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.439 3.010 -0.558 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.922 3.840 -0.984 1.00 0.31 H new ATOM 0 HG CYS B 49 18.496 1.216 -2.670 1.00 1.17 H new ATOM 2406 N HIS B 50 21.814 0.673 -1.292 1.00 0.32 N ATOM 2407 CA HIS B 50 23.100 0.336 -1.890 1.00 0.38 C ATOM 2408 C HIS B 50 23.607 1.520 -2.707 1.00 0.32 C ATOM 2409 O HIS B 50 22.893 2.018 -3.570 1.00 0.31 O ATOM 2410 CB HIS B 50 22.925 -0.896 -2.784 1.00 0.54 C ATOM 2411 CG HIS B 50 24.196 -1.569 -3.202 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.391 -2.057 -4.472 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.322 -1.870 -2.510 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.575 -2.632 -4.546 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.162 -2.533 -3.369 1.00 1.08 N ATOM 0 H HIS B 50 21.068 0.015 -1.518 1.00 0.32 H new ATOM 0 HA HIS B 50 23.829 0.113 -1.111 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.305 -1.622 -2.257 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.378 -0.600 -3.679 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.723 -1.985 -5.239 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.521 -1.632 -1.475 1.00 1.18 H new ATOM 0 HE1 HIS B 50 25.994 -3.104 -5.422 1.00 0.87 H new ATOM 2424 N PRO B 51 24.832 1.996 -2.434 1.00 0.35 N ATOM 2425 CA PRO B 51 25.422 3.146 -3.140 1.00 0.38 C ATOM 2426 C PRO B 51 25.299 3.051 -4.663 1.00 0.36 C ATOM 2427 O PRO B 51 24.906 4.011 -5.325 1.00 0.46 O ATOM 2428 CB PRO B 51 26.886 3.102 -2.713 1.00 0.47 C ATOM 2429 CG PRO B 51 26.860 2.471 -1.365 1.00 0.72 C ATOM 2430 CD PRO B 51 25.743 1.464 -1.402 1.00 0.44 C ATOM 0 HA PRO B 51 24.912 4.076 -2.889 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.487 2.520 -3.412 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.319 4.102 -2.676 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.812 1.990 -1.141 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.688 3.216 -0.588 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.107 0.470 -1.662 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.248 1.379 -0.435 1.00 0.44 H new ATOM 2438 N GLU B 52 25.616 1.888 -5.211 1.00 0.37 N ATOM 2439 CA GLU B 52 25.542 1.670 -6.653 1.00 0.38 C ATOM 2440 C GLU B 52 24.096 1.551 -7.144 1.00 0.37 C ATOM 2441 O GLU B 52 23.850 1.436 -8.344 1.00 0.40 O ATOM 2442 CB GLU B 52 26.327 0.414 -7.036 1.00 0.45 C ATOM 2443 CG GLU B 52 27.786 0.449 -6.603 1.00 0.78 C ATOM 2444 CD GLU B 52 28.025 -0.253 -5.278 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.516 0.222 -4.240 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.723 -1.288 -5.265 1.00 1.70 O ATOM 0 H GLU B 52 25.929 1.076 -4.679 1.00 0.37 H new ATOM 0 HA GLU B 52 25.984 2.541 -7.137 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.845 -0.455 -6.589 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.281 0.283 -8.117 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.400 -0.019 -7.373 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.111 1.486 -6.523 1.00 0.78 H new ATOM 2453 N ASP B 53 23.141 1.597 -6.223 1.00 0.36 N ATOM 2454 CA ASP B 53 21.727 1.495 -6.579 1.00 0.37 C ATOM 2455 C ASP B 53 20.966 2.743 -6.139 1.00 0.38 C ATOM 2456 O ASP B 53 19.751 2.838 -6.325 1.00 0.42 O ATOM 2457 CB ASP B 53 21.095 0.253 -5.938 1.00 0.47 C ATOM 2458 CG ASP B 53 21.514 -1.038 -6.615 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.067 -1.294 -7.753 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.279 -1.815 -6.003 1.00 1.10 O ATOM 0 H ASP B 53 23.318 1.704 -5.224 1.00 0.36 H new ATOM 0 HA ASP B 53 21.662 1.406 -7.663 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.373 0.212 -4.885 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.009 0.342 -5.977 1.00 0.47 H new ATOM 2465 N GLN B 54 21.690 3.701 -5.563 1.00 0.41 N ATOM 2466 CA GLN B 54 21.090 4.945 -5.083 1.00 0.47 C ATOM 2467 C GLN B 54 20.411 5.707 -6.216 1.00 0.50 C ATOM 2468 O GLN B 54 19.247 6.091 -6.105 1.00 0.53 O ATOM 2469 CB GLN B 54 22.143 5.838 -4.422 1.00 0.56 C ATOM 2470 CG GLN B 54 22.612 5.337 -3.066 1.00 0.65 C ATOM 2471 CD GLN B 54 23.463 6.357 -2.334 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.178 7.148 -2.953 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.382 6.359 -1.013 1.00 0.80 N ATOM 0 H GLN B 54 22.698 3.639 -5.417 1.00 0.41 H new ATOM 0 HA GLN B 54 20.335 4.677 -4.344 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.004 5.920 -5.086 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.733 6.841 -4.306 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.745 5.086 -2.455 1.00 0.65 H new ATOM 0 HG3 GLN B 54 23.185 4.419 -3.199 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.778 5.688 -0.538 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.923 7.032 -0.470 1.00 0.80 H new ATOM 2482 N GLN B 55 21.141 5.915 -7.304 1.00 0.54 N ATOM 2483 CA GLN B 55 20.608 6.628 -8.457 1.00 0.61 C ATOM 2484 C GLN B 55 19.450 5.847 -9.070 1.00 0.52 C ATOM 2485 O GLN B 55 18.507 6.435 -9.589 1.00 0.52 O ATOM 2486 CB GLN B 55 21.711 6.869 -9.493 1.00 0.76 C ATOM 2487 CG GLN B 55 21.278 7.717 -10.682 1.00 1.33 C ATOM 2488 CD GLN B 55 20.699 9.066 -10.281 1.00 1.73 C ATOM 2489 OE1 GLN B 55 21.062 9.638 -9.252 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.798 9.587 -11.098 1.00 1.51 N ATOM 0 H GLN B 55 22.105 5.600 -7.412 1.00 0.54 H new ATOM 0 HA GLN B 55 20.233 7.597 -8.128 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.554 7.355 -9.003 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.067 5.906 -9.859 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.135 7.877 -11.336 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.535 7.168 -11.260 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.522 9.083 -11.941 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.379 10.492 -10.885 1.00 1.51 H new ATOM 2499 N LEU B 56 19.524 4.522 -8.996 1.00 0.51 N ATOM 2500 CA LEU B 56 18.466 3.671 -9.519 1.00 0.51 C ATOM 2501 C LEU B 56 17.167 3.955 -8.774 1.00 0.42 C ATOM 2502 O LEU B 56 16.116 4.149 -9.386 1.00 0.42 O ATOM 2503 CB LEU B 56 18.843 2.194 -9.382 1.00 0.60 C ATOM 2504 CG LEU B 56 17.758 1.205 -9.815 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.551 1.257 -11.321 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.120 -0.204 -9.382 1.00 1.42 C ATOM 0 H LEU B 56 20.306 4.016 -8.579 1.00 0.51 H new ATOM 0 HA LEU B 56 18.329 3.890 -10.578 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.740 2.007 -9.973 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.100 1.995 -8.341 1.00 0.60 H new ATOM 0 HG LEU B 56 16.825 1.490 -9.330 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.776 0.546 -11.606 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.246 2.262 -11.612 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.482 1.000 -11.825 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.338 -0.894 -9.698 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.066 -0.494 -9.840 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.217 -0.238 -8.297 1.00 1.42 H new ATOM 2518 N LEU B 57 17.254 3.993 -7.448 1.00 0.40 N ATOM 2519 CA LEU B 57 16.098 4.279 -6.610 1.00 0.39 C ATOM 2520 C LEU B 57 15.609 5.696 -6.875 1.00 0.37 C ATOM 2521 O LEU B 57 14.415 5.934 -7.051 1.00 0.39 O ATOM 2522 CB LEU B 57 16.467 4.133 -5.131 1.00 0.48 C ATOM 2523 CG LEU B 57 15.594 3.173 -4.320 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.829 3.379 -2.833 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.121 3.358 -4.655 1.00 1.15 C ATOM 0 H LEU B 57 18.117 3.828 -6.930 1.00 0.40 H new ATOM 0 HA LEU B 57 15.306 3.570 -6.850 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.502 3.797 -5.065 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.421 5.117 -4.665 1.00 0.48 H new ATOM 0 HG LEU B 57 15.874 2.153 -4.583 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.202 2.690 -2.267 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.877 3.190 -2.601 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.577 4.405 -2.563 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.524 2.663 -4.065 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.821 4.381 -4.425 1.00 1.15 H new ATOM 0 HD23 LEU B 57 13.962 3.163 -5.715 1.00 1.15 H new ATOM 2537 N ARG B 58 16.561 6.619 -6.918 1.00 0.42 N ATOM 2538 CA ARG B 58 16.286 8.029 -7.166 1.00 0.50 C ATOM 2539 C ARG B 58 15.537 8.215 -8.484 1.00 0.44 C ATOM 2540 O ARG B 58 14.507 8.884 -8.536 1.00 0.44 O ATOM 2541 CB ARG B 58 17.610 8.796 -7.190 1.00 0.65 C ATOM 2542 CG ARG B 58 17.472 10.295 -7.381 1.00 1.08 C ATOM 2543 CD ARG B 58 18.837 10.960 -7.375 1.00 1.12 C ATOM 2544 NE ARG B 58 18.760 12.403 -7.576 1.00 1.90 N ATOM 2545 CZ ARG B 58 19.701 13.113 -8.201 1.00 2.21 C ATOM 2546 NH1 ARG B 58 20.757 12.504 -8.732 1.00 1.97 N ATOM 2547 NH2 ARG B 58 19.594 14.431 -8.306 1.00 3.01 N ATOM 0 H ARG B 58 17.550 6.410 -6.781 1.00 0.42 H new ATOM 0 HA ARG B 58 15.652 8.416 -6.369 1.00 0.50 H new ATOM 0 HB2 ARG B 58 18.139 8.610 -6.255 1.00 0.65 H new ATOM 0 HB3 ARG B 58 18.231 8.397 -7.992 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.964 10.502 -8.323 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.854 10.713 -6.587 1.00 1.08 H new ATOM 0 HD2 ARG B 58 19.332 10.755 -6.426 1.00 1.12 H new ATOM 0 HD3 ARG B 58 19.454 10.520 -8.158 1.00 1.12 H new ATOM 0 HE ARG B 58 17.942 12.896 -7.219 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.850 11.491 -8.662 1.00 1.97 H new ATOM 0 HH12 ARG B 58 21.474 13.050 -9.209 1.00 1.97 H new ATOM 0 HH21 ARG B 58 18.787 14.911 -7.907 1.00 3.01 H new ATOM 0 HH22 ARG B 58 20.319 14.965 -8.786 1.00 3.01 H new ATOM 2561 N ASP B 59 16.059 7.602 -9.540 1.00 0.42 N ATOM 2562 CA ASP B 59 15.449 7.683 -10.863 1.00 0.43 C ATOM 2563 C ASP B 59 14.053 7.071 -10.850 1.00 0.37 C ATOM 2564 O ASP B 59 13.123 7.610 -11.449 1.00 0.39 O ATOM 2565 CB ASP B 59 16.326 6.965 -11.892 1.00 0.49 C ATOM 2566 CG ASP B 59 15.806 7.103 -13.308 1.00 0.58 C ATOM 2567 OD1 ASP B 59 14.990 6.258 -13.736 1.00 0.78 O ATOM 2568 OD2 ASP B 59 16.225 8.050 -14.008 1.00 0.76 O ATOM 0 H ASP B 59 16.909 7.040 -9.505 1.00 0.42 H new ATOM 0 HA ASP B 59 15.364 8.734 -11.139 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.339 7.365 -11.841 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.388 5.908 -11.634 1.00 0.49 H new ATOM 2573 N SER B 60 13.913 5.951 -10.153 1.00 0.33 N ATOM 2574 CA SER B 60 12.630 5.270 -10.055 1.00 0.33 C ATOM 2575 C SER B 60 11.606 6.145 -9.340 1.00 0.28 C ATOM 2576 O SER B 60 10.443 6.200 -9.741 1.00 0.29 O ATOM 2577 CB SER B 60 12.792 3.936 -9.329 1.00 0.39 C ATOM 2578 OG SER B 60 13.750 3.122 -9.986 1.00 1.41 O ATOM 0 H SER B 60 14.673 5.495 -9.647 1.00 0.33 H new ATOM 0 HA SER B 60 12.266 5.076 -11.064 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.102 4.112 -8.299 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.833 3.419 -9.290 1.00 0.39 H new ATOM 0 HG SER B 60 14.642 3.313 -9.628 1.00 1.41 H new ATOM 2584 N PHE B 61 12.045 6.836 -8.290 1.00 0.30 N ATOM 2585 CA PHE B 61 11.163 7.719 -7.538 1.00 0.32 C ATOM 2586 C PHE B 61 10.615 8.807 -8.446 1.00 0.33 C ATOM 2587 O PHE B 61 9.425 9.124 -8.407 1.00 0.34 O ATOM 2588 CB PHE B 61 11.897 8.349 -6.351 1.00 0.39 C ATOM 2589 CG PHE B 61 11.933 7.477 -5.129 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.218 6.289 -5.085 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.679 7.847 -4.024 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.250 5.489 -3.961 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.712 7.052 -2.897 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.997 5.871 -2.866 1.00 0.60 C ATOM 0 H PHE B 61 13.004 6.800 -7.943 1.00 0.30 H new ATOM 0 HA PHE B 61 10.336 7.123 -7.151 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.919 8.582 -6.650 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.416 9.294 -6.098 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.630 5.987 -5.939 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.242 8.769 -4.044 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.691 4.565 -3.939 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.296 7.353 -2.040 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.023 5.247 -1.985 1.00 0.60 H new ATOM 2604 N GLN B 62 11.490 9.355 -9.282 1.00 0.35 N ATOM 2605 CA GLN B 62 11.103 10.398 -10.219 1.00 0.41 C ATOM 2606 C GLN B 62 10.046 9.871 -11.179 1.00 0.37 C ATOM 2607 O GLN B 62 9.082 10.568 -11.499 1.00 0.40 O ATOM 2608 CB GLN B 62 12.321 10.909 -10.992 1.00 0.52 C ATOM 2609 CG GLN B 62 13.429 11.447 -10.099 1.00 0.79 C ATOM 2610 CD GLN B 62 12.915 12.409 -9.043 1.00 1.44 C ATOM 2611 OE1 GLN B 62 12.634 12.019 -7.908 1.00 2.08 O ATOM 2612 NE2 GLN B 62 12.781 13.670 -9.411 1.00 2.12 N ATOM 0 H GLN B 62 12.474 9.092 -9.328 1.00 0.35 H new ATOM 0 HA GLN B 62 10.683 11.232 -9.657 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.719 10.099 -11.602 1.00 0.52 H new ATOM 0 HB3 GLN B 62 12.003 11.696 -11.676 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.933 10.613 -9.611 1.00 0.79 H new ATOM 0 HG3 GLN B 62 14.173 11.953 -10.715 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.025 13.953 -10.360 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.434 14.361 -8.746 1.00 2.12 H new ATOM 2621 N GLN B 63 10.223 8.628 -11.622 1.00 0.34 N ATOM 2622 CA GLN B 63 9.272 7.999 -12.527 1.00 0.36 C ATOM 2623 C GLN B 63 7.915 7.865 -11.843 1.00 0.29 C ATOM 2624 O GLN B 63 6.886 8.214 -12.417 1.00 0.32 O ATOM 2625 CB GLN B 63 9.765 6.617 -12.963 1.00 0.44 C ATOM 2626 CG GLN B 63 11.076 6.634 -13.729 1.00 0.66 C ATOM 2627 CD GLN B 63 11.429 5.273 -14.295 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.550 4.488 -14.657 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.716 4.978 -14.373 1.00 1.23 N ATOM 0 H GLN B 63 11.016 8.039 -11.368 1.00 0.34 H new ATOM 0 HA GLN B 63 9.175 8.628 -13.412 1.00 0.36 H new ATOM 0 HB2 GLN B 63 9.882 5.990 -12.079 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.001 6.151 -13.585 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.010 7.357 -14.542 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.876 6.969 -13.069 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.414 5.654 -14.063 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.011 4.074 -14.743 1.00 1.23 H new ATOM 2638 N VAL B 64 7.932 7.374 -10.603 1.00 0.26 N ATOM 2639 CA VAL B 64 6.712 7.194 -9.820 1.00 0.26 C ATOM 2640 C VAL B 64 5.978 8.523 -9.653 1.00 0.26 C ATOM 2641 O VAL B 64 4.753 8.589 -9.784 1.00 0.28 O ATOM 2642 CB VAL B 64 7.017 6.596 -8.425 1.00 0.28 C ATOM 2643 CG1 VAL B 64 5.744 6.432 -7.609 1.00 0.31 C ATOM 2644 CG2 VAL B 64 7.734 5.261 -8.554 1.00 0.30 C ATOM 0 H VAL B 64 8.784 7.093 -10.118 1.00 0.26 H new ATOM 0 HA VAL B 64 6.077 6.496 -10.366 1.00 0.26 H new ATOM 0 HB VAL B 64 7.672 7.293 -7.902 1.00 0.28 H new ATOM 0 HG11 VAL B 64 5.989 6.010 -6.634 1.00 0.31 H new ATOM 0 HG12 VAL B 64 5.270 7.404 -7.475 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.060 5.764 -8.132 1.00 0.31 H new ATOM 0 HG21 VAL B 64 7.938 4.860 -7.561 1.00 0.30 H new ATOM 0 HG22 VAL B 64 7.105 4.562 -9.105 1.00 0.30 H new ATOM 0 HG23 VAL B 64 8.674 5.403 -9.088 1.00 0.30 H new ATOM 2654 N VAL B 65 6.738 9.579 -9.386 1.00 0.29 N ATOM 2655 CA VAL B 65 6.173 10.913 -9.206 1.00 0.33 C ATOM 2656 C VAL B 65 5.498 11.398 -10.490 1.00 0.37 C ATOM 2657 O VAL B 65 4.481 12.092 -10.448 1.00 0.45 O ATOM 2658 CB VAL B 65 7.261 11.928 -8.769 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.736 13.359 -8.796 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.780 11.584 -7.381 1.00 0.39 C ATOM 0 H VAL B 65 7.753 9.537 -9.289 1.00 0.29 H new ATOM 0 HA VAL B 65 5.423 10.846 -8.417 1.00 0.33 H new ATOM 0 HB VAL B 65 8.082 11.860 -9.483 1.00 0.40 H new ATOM 0 HG11 VAL B 65 7.526 14.042 -8.484 1.00 0.48 H new ATOM 0 HG12 VAL B 65 6.417 13.611 -9.808 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.889 13.449 -8.116 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.543 12.306 -7.089 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.957 11.616 -6.667 1.00 0.39 H new ATOM 0 HG23 VAL B 65 8.212 10.583 -7.392 1.00 0.39 H new ATOM 2670 N LYS B 66 6.058 11.015 -11.629 1.00 0.37 N ATOM 2671 CA LYS B 66 5.508 11.409 -12.923 1.00 0.45 C ATOM 2672 C LYS B 66 4.347 10.506 -13.325 1.00 0.41 C ATOM 2673 O LYS B 66 3.492 10.899 -14.118 1.00 0.49 O ATOM 2674 CB LYS B 66 6.596 11.381 -13.995 1.00 0.57 C ATOM 2675 CG LYS B 66 7.706 12.387 -13.747 1.00 0.74 C ATOM 2676 CD LYS B 66 8.891 12.143 -14.663 1.00 0.67 C ATOM 2677 CE LYS B 66 8.618 12.634 -16.074 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.610 12.104 -17.045 1.00 2.19 N ATOM 0 H LYS B 66 6.893 10.432 -11.686 1.00 0.37 H new ATOM 0 HA LYS B 66 5.129 12.427 -12.831 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.025 10.380 -14.042 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.145 11.580 -14.967 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.326 13.396 -13.903 1.00 0.74 H new ATOM 0 HG3 LYS B 66 8.029 12.325 -12.708 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.770 12.650 -14.265 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.120 11.078 -14.686 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.616 12.331 -16.377 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.640 13.724 -16.090 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 9.390 12.462 -17.996 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.564 12.414 -16.771 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.571 11.065 -17.048 1.00 2.19 H new ATOM 2692 N LEU B 67 4.325 9.296 -12.779 1.00 0.39 N ATOM 2693 CA LEU B 67 3.264 8.338 -13.070 1.00 0.43 C ATOM 2694 C LEU B 67 1.935 8.824 -12.502 1.00 0.62 C ATOM 2695 O LEU B 67 0.982 9.052 -13.249 1.00 1.30 O ATOM 2696 CB LEU B 67 3.606 6.963 -12.492 1.00 0.59 C ATOM 2697 CG LEU B 67 4.673 6.179 -13.259 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.079 4.938 -12.483 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.166 5.795 -14.640 1.00 0.79 C ATOM 0 H LEU B 67 5.033 8.953 -12.129 1.00 0.39 H new ATOM 0 HA LEU B 67 3.174 8.250 -14.153 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.943 7.093 -11.464 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.695 6.365 -12.456 1.00 0.59 H new ATOM 0 HG LEU B 67 5.548 6.818 -13.378 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.838 4.392 -13.042 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.482 5.231 -11.514 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.208 4.300 -12.336 1.00 0.74 H new ATOM 0 HD21 LEU B 67 4.939 5.238 -15.170 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.275 5.174 -14.541 1.00 0.79 H new ATOM 0 HD23 LEU B 67 3.920 6.697 -15.201 1.00 0.79 H new ATOM 2711 N LYS B 68 1.901 8.995 -11.179 1.00 0.48 N ATOM 2712 CA LYS B 68 0.706 9.456 -10.460 1.00 0.55 C ATOM 2713 C LYS B 68 -0.425 8.435 -10.542 1.00 0.47 C ATOM 2714 O LYS B 68 -1.014 8.221 -11.601 1.00 0.50 O ATOM 2715 CB LYS B 68 0.230 10.814 -10.986 1.00 0.69 C ATOM 2716 CG LYS B 68 1.261 11.917 -10.835 1.00 0.56 C ATOM 2717 CD LYS B 68 0.711 13.254 -11.291 1.00 0.67 C ATOM 2718 CE LYS B 68 1.804 14.303 -11.382 1.00 0.69 C ATOM 2719 NZ LYS B 68 1.295 15.593 -11.919 1.00 1.04 N ATOM 0 H LYS B 68 2.702 8.818 -10.572 1.00 0.48 H new ATOM 0 HA LYS B 68 0.987 9.570 -9.413 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.033 10.715 -12.039 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.678 11.102 -10.457 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.572 11.986 -9.793 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.149 11.669 -11.417 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.233 13.139 -12.264 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.059 13.588 -10.595 1.00 0.67 H new ATOM 0 HE2 LYS B 68 2.233 14.466 -10.393 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.607 13.936 -12.021 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 2.097 16.205 -12.172 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.717 15.413 -12.765 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 0.714 16.065 -11.197 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.725 7.806 -9.414 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.778 6.815 -9.379 1.00 0.59 C ATOM 2735 C GLY B 69 -1.354 5.519 -10.033 1.00 0.54 C ATOM 2736 O GLY B 69 -2.191 4.716 -10.446 1.00 0.57 O ATOM 0 H GLY B 69 -0.256 7.966 -8.522 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.062 6.624 -8.344 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.661 7.205 -9.885 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.047 5.311 -10.119 1.00 0.50 N ATOM 2741 CA GLN B 70 0.496 4.111 -10.726 1.00 0.46 C ATOM 2742 C GLN B 70 1.569 3.507 -9.829 1.00 0.38 C ATOM 2743 O GLN B 70 2.135 4.191 -8.974 1.00 0.37 O ATOM 2744 CB GLN B 70 1.069 4.435 -12.111 1.00 0.50 C ATOM 2745 CG GLN B 70 1.125 3.239 -13.049 1.00 1.31 C ATOM 2746 CD GLN B 70 -0.070 2.320 -12.888 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.017 1.343 -12.140 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -1.160 2.636 -13.567 1.00 2.32 N ATOM 0 H GLN B 70 0.657 5.963 -9.773 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.304 3.381 -10.844 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.464 5.217 -12.570 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.074 4.839 -11.992 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.173 3.591 -14.079 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.040 2.677 -12.862 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -1.162 3.454 -14.176 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.999 2.062 -13.482 1.00 2.32 H new ATOM 2757 N VAL B 71 1.831 2.224 -10.018 1.00 0.36 N ATOM 2758 CA VAL B 71 2.826 1.521 -9.227 1.00 0.32 C ATOM 2759 C VAL B 71 4.064 1.209 -10.066 1.00 0.31 C ATOM 2760 O VAL B 71 3.969 0.969 -11.273 1.00 0.39 O ATOM 2761 CB VAL B 71 2.243 0.213 -8.638 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.901 -0.784 -9.739 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.196 -0.402 -7.624 1.00 1.35 C ATOM 0 H VAL B 71 1.365 1.646 -10.717 1.00 0.36 H new ATOM 0 HA VAL B 71 3.116 2.173 -8.403 1.00 0.32 H new ATOM 0 HB VAL B 71 1.318 0.467 -8.120 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.494 -1.692 -9.294 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.162 -0.346 -10.410 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.802 -1.028 -10.302 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.762 -1.319 -7.226 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.145 -0.630 -8.109 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.365 0.302 -6.810 1.00 1.35 H new ATOM 2773 N LEU B 72 5.224 1.254 -9.431 1.00 0.27 N ATOM 2774 CA LEU B 72 6.482 0.959 -10.097 1.00 0.29 C ATOM 2775 C LEU B 72 7.380 0.147 -9.174 1.00 0.31 C ATOM 2776 O LEU B 72 7.800 0.630 -8.122 1.00 0.44 O ATOM 2777 CB LEU B 72 7.191 2.247 -10.515 1.00 0.35 C ATOM 2778 CG LEU B 72 8.528 2.045 -11.230 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.324 1.309 -12.544 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.213 3.380 -11.470 1.00 1.05 C ATOM 0 H LEU B 72 5.320 1.495 -8.444 1.00 0.27 H new ATOM 0 HA LEU B 72 6.268 0.378 -10.994 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.528 2.813 -11.169 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.359 2.856 -9.627 1.00 0.35 H new ATOM 0 HG LEU B 72 9.170 1.439 -10.591 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.286 1.174 -13.039 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.876 0.334 -12.349 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.663 1.890 -13.188 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.162 3.215 -11.980 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.574 4.011 -12.088 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.395 3.873 -10.515 1.00 1.05 H new ATOM 2792 N SER B 73 7.658 -1.084 -9.562 1.00 0.27 N ATOM 2793 CA SER B 73 8.502 -1.958 -8.769 1.00 0.33 C ATOM 2794 C SER B 73 9.966 -1.806 -9.172 1.00 0.28 C ATOM 2795 O SER B 73 10.331 -2.039 -10.325 1.00 0.31 O ATOM 2796 CB SER B 73 8.054 -3.412 -8.936 1.00 0.48 C ATOM 2797 OG SER B 73 6.655 -3.540 -8.729 1.00 1.38 O ATOM 0 H SER B 73 7.310 -1.502 -10.425 1.00 0.27 H new ATOM 0 HA SER B 73 8.405 -1.675 -7.721 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.311 -3.763 -9.935 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.589 -4.045 -8.228 1.00 0.48 H new ATOM 0 HG SER B 73 6.392 -4.477 -8.842 1.00 1.38 H new ATOM 2803 N VAL B 74 10.794 -1.388 -8.228 1.00 0.29 N ATOM 2804 CA VAL B 74 12.217 -1.221 -8.484 1.00 0.28 C ATOM 2805 C VAL B 74 13.016 -2.275 -7.721 1.00 0.23 C ATOM 2806 O VAL B 74 12.845 -2.446 -6.514 1.00 0.24 O ATOM 2807 CB VAL B 74 12.708 0.201 -8.111 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.263 0.590 -6.709 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.222 0.305 -8.240 1.00 0.41 C ATOM 0 H VAL B 74 10.506 -1.158 -7.277 1.00 0.29 H new ATOM 0 HA VAL B 74 12.378 -1.352 -9.554 1.00 0.28 H new ATOM 0 HB VAL B 74 12.255 0.900 -8.813 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.623 1.592 -6.478 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.174 0.574 -6.655 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.672 -0.118 -5.988 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.542 1.312 -7.973 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.694 -0.415 -7.572 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.515 0.092 -9.268 1.00 0.41 H new ATOM 2819 N MET B 75 13.867 -2.998 -8.433 1.00 0.21 N ATOM 2820 CA MET B 75 14.678 -4.037 -7.822 1.00 0.20 C ATOM 2821 C MET B 75 16.091 -3.531 -7.568 1.00 0.20 C ATOM 2822 O MET B 75 16.871 -3.322 -8.501 1.00 0.24 O ATOM 2823 CB MET B 75 14.704 -5.277 -8.717 1.00 0.26 C ATOM 2824 CG MET B 75 15.371 -6.486 -8.081 1.00 0.29 C ATOM 2825 SD MET B 75 15.144 -7.988 -9.056 1.00 0.41 S ATOM 2826 CE MET B 75 16.055 -9.177 -8.072 1.00 0.41 C ATOM 0 H MET B 75 14.013 -2.883 -9.436 1.00 0.21 H new ATOM 0 HA MET B 75 14.236 -4.308 -6.863 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.681 -5.539 -8.986 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.225 -5.033 -9.643 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.437 -6.290 -7.963 1.00 0.29 H new ATOM 0 HG3 MET B 75 14.963 -6.639 -7.082 1.00 0.29 H new ATOM 0 HE1 MET B 75 15.590 -10.158 -8.164 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.085 -9.229 -8.426 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.045 -8.868 -7.027 1.00 0.41 H new ATOM 2836 N PHE B 76 16.407 -3.323 -6.302 1.00 0.21 N ATOM 2837 CA PHE B 76 17.721 -2.844 -5.906 1.00 0.23 C ATOM 2838 C PHE B 76 18.186 -3.585 -4.659 1.00 0.22 C ATOM 2839 O PHE B 76 17.633 -4.628 -4.309 1.00 0.21 O ATOM 2840 CB PHE B 76 17.695 -1.326 -5.656 1.00 0.26 C ATOM 2841 CG PHE B 76 16.774 -0.893 -4.546 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.417 -0.740 -4.771 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.271 -0.635 -3.277 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.573 -0.342 -3.753 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.433 -0.238 -2.256 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.082 -0.091 -2.494 1.00 0.38 C ATOM 0 H PHE B 76 15.766 -3.480 -5.524 1.00 0.21 H new ATOM 0 HA PHE B 76 18.424 -3.039 -6.716 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.706 -0.991 -5.424 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.396 -0.824 -6.576 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.014 -0.934 -5.754 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.328 -0.746 -3.086 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.516 -0.227 -3.941 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.834 -0.043 -1.272 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.423 0.220 -1.697 1.00 0.38 H new ATOM 2856 N ARG B 77 19.201 -3.054 -3.996 1.00 0.25 N ATOM 2857 CA ARG B 77 19.725 -3.669 -2.790 1.00 0.25 C ATOM 2858 C ARG B 77 19.568 -2.729 -1.601 1.00 0.23 C ATOM 2859 O ARG B 77 20.059 -1.598 -1.621 1.00 0.26 O ATOM 2860 CB ARG B 77 21.197 -4.040 -2.970 1.00 0.30 C ATOM 2861 CG ARG B 77 21.477 -4.848 -4.225 1.00 0.48 C ATOM 2862 CD ARG B 77 22.905 -5.357 -4.240 1.00 0.63 C ATOM 2863 NE ARG B 77 23.461 -5.411 -5.589 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.613 -6.007 -5.889 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.301 -6.632 -4.943 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.066 -5.983 -7.135 1.00 2.97 N ATOM 0 H ARG B 77 19.678 -2.197 -4.275 1.00 0.25 H new ATOM 0 HA ARG B 77 19.156 -4.579 -2.598 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.791 -3.127 -2.997 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.527 -4.610 -2.101 1.00 0.30 H new ATOM 0 HG2 ARG B 77 20.787 -5.690 -4.280 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.298 -4.231 -5.106 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.525 -4.710 -3.620 1.00 0.63 H new ATOM 0 HD3 ARG B 77 22.938 -6.352 -3.796 1.00 0.63 H new ATOM 0 HE ARG B 77 22.938 -4.967 -6.344 1.00 1.50 H new ATOM 0 HH11 ARG B 77 24.947 -6.656 -3.987 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.184 -7.089 -5.172 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.532 -5.508 -7.863 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.949 -6.439 -7.366 1.00 2.97 H new ATOM 2880 N PHE B 78 18.878 -3.196 -0.575 1.00 0.24 N ATOM 2881 CA PHE B 78 18.658 -2.404 0.625 1.00 0.23 C ATOM 2882 C PHE B 78 19.555 -2.914 1.747 1.00 0.21 C ATOM 2883 O PHE B 78 19.971 -4.075 1.734 1.00 0.22 O ATOM 2884 CB PHE B 78 17.187 -2.476 1.045 1.00 0.27 C ATOM 2885 CG PHE B 78 16.729 -1.304 1.868 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.498 -0.072 1.276 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.525 -1.435 3.232 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.073 1.005 2.030 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.100 -0.362 3.990 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.873 0.860 3.389 1.00 0.33 C ATOM 0 H PHE B 78 18.458 -4.125 -0.548 1.00 0.24 H new ATOM 0 HA PHE B 78 18.906 -1.363 0.417 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.567 -2.544 0.151 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.026 -3.392 1.614 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.652 0.047 0.214 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.701 -2.388 3.708 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.897 1.960 1.557 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.945 -0.479 5.052 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.540 1.700 3.980 1.00 0.33 H new ATOM 2900 N ARG B 79 19.861 -2.050 2.704 1.00 0.25 N ATOM 2901 CA ARG B 79 20.713 -2.419 3.823 1.00 0.26 C ATOM 2902 C ARG B 79 19.899 -3.032 4.952 1.00 0.26 C ATOM 2903 O ARG B 79 18.947 -2.429 5.445 1.00 0.36 O ATOM 2904 CB ARG B 79 21.478 -1.202 4.350 1.00 0.36 C ATOM 2905 CG ARG B 79 22.699 -1.569 5.177 1.00 0.33 C ATOM 2906 CD ARG B 79 23.324 -0.350 5.837 1.00 0.56 C ATOM 2907 NE ARG B 79 22.693 -0.033 7.118 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.902 1.097 7.793 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.734 2.014 7.321 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.275 1.305 8.946 1.00 2.22 N ATOM 0 H ARG B 79 19.530 -1.085 2.727 1.00 0.25 H new ATOM 0 HA ARG B 79 21.426 -3.159 3.460 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.791 -0.586 3.507 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.806 -0.595 4.957 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.415 -2.291 5.943 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.437 -2.055 4.539 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.388 -0.528 5.992 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.238 0.507 5.169 1.00 0.56 H new ATOM 0 HE ARG B 79 22.054 -0.719 7.519 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.218 1.857 6.437 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.890 2.877 7.842 1.00 1.06 H new ATOM 0 HH21 ARG B 79 21.635 0.600 9.313 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.434 2.169 9.464 1.00 2.22 H new ATOM 2924 N SER B 80 20.278 -4.234 5.346 1.00 0.25 N ATOM 2925 CA SER B 80 19.616 -4.930 6.435 1.00 0.33 C ATOM 2926 C SER B 80 20.238 -4.491 7.759 1.00 0.32 C ATOM 2927 O SER B 80 21.190 -3.707 7.770 1.00 0.32 O ATOM 2928 CB SER B 80 19.762 -6.445 6.249 1.00 0.46 C ATOM 2929 OG SER B 80 18.965 -7.173 7.172 1.00 1.06 O ATOM 0 H SER B 80 21.048 -4.753 4.924 1.00 0.25 H new ATOM 0 HA SER B 80 18.554 -4.685 6.440 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.477 -6.715 5.232 1.00 0.46 H new ATOM 0 HB3 SER B 80 20.808 -6.726 6.372 1.00 0.46 H new ATOM 0 HG SER B 80 19.084 -8.134 7.020 1.00 1.06 H new ATOM 2935 N LYS B 81 19.718 -5.008 8.865 1.00 0.35 N ATOM 2936 CA LYS B 81 20.230 -4.673 10.191 1.00 0.37 C ATOM 2937 C LYS B 81 21.680 -5.135 10.346 1.00 0.40 C ATOM 2938 O LYS B 81 22.424 -4.632 11.186 1.00 0.48 O ATOM 2939 CB LYS B 81 19.352 -5.312 11.272 1.00 0.41 C ATOM 2940 CG LYS B 81 19.642 -4.801 12.675 1.00 0.45 C ATOM 2941 CD LYS B 81 19.428 -3.299 12.772 1.00 0.47 C ATOM 2942 CE LYS B 81 19.846 -2.762 14.131 1.00 0.67 C ATOM 2943 NZ LYS B 81 20.013 -1.286 14.114 1.00 1.69 N ATOM 0 H LYS B 81 18.938 -5.665 8.871 1.00 0.35 H new ATOM 0 HA LYS B 81 20.202 -3.589 10.307 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.305 -5.124 11.035 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.494 -6.392 11.252 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.995 -5.309 13.390 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.670 -5.042 12.947 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.999 -2.798 11.991 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.377 -3.068 12.596 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.098 -3.034 14.875 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.782 -3.230 14.434 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 20.427 -0.973 15.015 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.643 -1.017 13.331 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.086 -0.833 13.983 1.00 1.69 H new ATOM 2957 N ASN B 82 22.079 -6.093 9.518 1.00 0.39 N ATOM 2958 CA ASN B 82 23.440 -6.623 9.550 1.00 0.45 C ATOM 2959 C ASN B 82 24.361 -5.792 8.662 1.00 0.43 C ATOM 2960 O ASN B 82 25.511 -6.163 8.429 1.00 0.50 O ATOM 2961 CB ASN B 82 23.460 -8.081 9.086 1.00 0.53 C ATOM 2962 CG ASN B 82 22.601 -8.988 9.945 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.608 -8.896 11.175 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.852 -9.869 9.302 1.00 0.81 N ATOM 0 H ASN B 82 21.478 -6.521 8.813 1.00 0.39 H new ATOM 0 HA ASN B 82 23.797 -6.572 10.579 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.114 -8.133 8.054 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.487 -8.446 9.096 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.250 -10.505 9.825 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.876 -9.912 8.283 1.00 0.81 H new ATOM 2971 N GLN B 83 23.830 -4.677 8.157 1.00 0.37 N ATOM 2972 CA GLN B 83 24.568 -3.759 7.286 1.00 0.40 C ATOM 2973 C GLN B 83 24.886 -4.396 5.936 1.00 0.37 C ATOM 2974 O GLN B 83 25.743 -3.915 5.192 1.00 0.46 O ATOM 2975 CB GLN B 83 25.850 -3.261 7.964 1.00 0.53 C ATOM 2976 CG GLN B 83 25.654 -1.992 8.782 1.00 0.63 C ATOM 2977 CD GLN B 83 24.626 -2.157 9.886 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.437 -1.892 9.695 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.076 -2.598 11.049 1.00 0.87 N ATOM 0 H GLN B 83 22.871 -4.383 8.341 1.00 0.37 H new ATOM 0 HA GLN B 83 23.922 -2.900 7.104 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.236 -4.046 8.614 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.607 -3.078 7.201 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.607 -1.697 9.221 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.344 -1.183 8.121 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.068 -2.806 11.166 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.431 -2.730 11.828 1.00 0.87 H new ATOM 2988 N GLU B 84 24.178 -5.470 5.618 1.00 0.37 N ATOM 2989 CA GLU B 84 24.363 -6.165 4.354 1.00 0.38 C ATOM 2990 C GLU B 84 23.374 -5.625 3.327 1.00 0.31 C ATOM 2991 O GLU B 84 22.349 -5.048 3.694 1.00 0.42 O ATOM 2992 CB GLU B 84 24.169 -7.673 4.543 1.00 0.53 C ATOM 2993 CG GLU B 84 22.769 -8.051 5.004 1.00 1.22 C ATOM 2994 CD GLU B 84 22.651 -9.508 5.400 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.825 -10.387 4.528 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.379 -9.779 6.588 1.00 2.78 O ATOM 0 H GLU B 84 23.466 -5.880 6.222 1.00 0.37 H new ATOM 0 HA GLU B 84 25.378 -5.994 3.995 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.382 -8.180 3.602 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.894 -8.036 5.272 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.490 -7.426 5.852 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.059 -7.839 4.205 1.00 1.22 H new ATOM 3003 N TRP B 85 23.676 -5.809 2.052 1.00 0.32 N ATOM 3004 CA TRP B 85 22.806 -5.327 0.990 1.00 0.33 C ATOM 3005 C TRP B 85 22.076 -6.497 0.340 1.00 0.33 C ATOM 3006 O TRP B 85 22.688 -7.309 -0.355 1.00 0.45 O ATOM 3007 CB TRP B 85 23.618 -4.562 -0.062 1.00 0.41 C ATOM 3008 CG TRP B 85 24.624 -3.613 0.525 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.963 -3.834 0.687 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.375 -2.290 1.023 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.557 -2.734 1.258 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.605 -1.774 1.470 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.233 -1.492 1.133 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.724 -0.501 2.021 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.355 -0.226 1.679 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.592 0.258 2.114 1.00 0.97 C ATOM 0 H TRP B 85 24.516 -6.288 1.727 1.00 0.32 H new ATOM 0 HA TRP B 85 22.072 -4.648 1.423 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.136 -5.278 -0.700 1.00 0.41 H new ATOM 0 HB3 TRP B 85 22.934 -4.003 -0.701 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.479 -4.741 0.407 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.547 -2.647 1.487 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.273 -1.856 0.798 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.678 -0.127 2.363 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.479 0.399 1.771 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.654 1.252 2.532 1.00 0.97 H new ATOM 3027 N LEU B 86 20.773 -6.580 0.565 1.00 0.28 N ATOM 3028 CA LEU B 86 19.971 -7.662 0.008 1.00 0.29 C ATOM 3029 C LEU B 86 19.116 -7.167 -1.154 1.00 0.26 C ATOM 3030 O LEU B 86 18.690 -6.011 -1.175 1.00 0.28 O ATOM 3031 CB LEU B 86 19.079 -8.286 1.086 1.00 0.34 C ATOM 3032 CG LEU B 86 17.971 -7.380 1.632 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.697 -8.176 1.862 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.418 -6.711 2.923 1.00 1.03 C ATOM 0 H LEU B 86 20.248 -5.912 1.129 1.00 0.28 H new ATOM 0 HA LEU B 86 20.655 -8.424 -0.366 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.620 -9.186 0.677 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.710 -8.600 1.917 1.00 0.34 H new ATOM 0 HG LEU B 86 17.766 -6.605 0.894 1.00 0.42 H new ATOM 0 HD11 LEU B 86 15.921 -7.516 2.250 1.00 0.96 H new ATOM 0 HD12 LEU B 86 16.365 -8.612 0.920 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.890 -8.972 2.582 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.619 -6.071 3.297 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.650 -7.474 3.666 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.306 -6.108 2.732 1.00 1.03 H new ATOM 3046 N TRP B 87 18.873 -8.047 -2.117 1.00 0.28 N ATOM 3047 CA TRP B 87 18.065 -7.710 -3.282 1.00 0.29 C ATOM 3048 C TRP B 87 16.586 -7.692 -2.914 1.00 0.29 C ATOM 3049 O TRP B 87 16.030 -8.706 -2.484 1.00 0.39 O ATOM 3050 CB TRP B 87 18.302 -8.716 -4.410 1.00 0.33 C ATOM 3051 CG TRP B 87 19.615 -8.540 -5.110 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.842 -8.944 -4.668 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.831 -7.918 -6.382 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.806 -8.613 -5.587 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.211 -7.982 -6.649 1.00 0.48 C ATOM 3056 CE3 TRP B 87 18.991 -7.315 -7.322 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.768 -7.465 -7.816 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.545 -6.802 -8.479 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.922 -6.883 -8.718 1.00 0.53 C ATOM 0 H TRP B 87 19.226 -9.004 -2.114 1.00 0.28 H new ATOM 0 HA TRP B 87 18.360 -6.718 -3.625 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.251 -9.725 -4.001 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.497 -8.627 -5.139 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.027 -9.450 -3.732 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.803 -8.805 -5.495 1.00 0.53 H new ATOM 0 HE3 TRP B 87 17.927 -7.251 -7.147 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.830 -7.522 -8.002 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 18.906 -6.331 -9.211 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.324 -6.477 -9.634 1.00 0.53 H new ATOM 3070 N MET B 88 15.959 -6.544 -3.084 1.00 0.31 N ATOM 3071 CA MET B 88 14.548 -6.387 -2.764 1.00 0.39 C ATOM 3072 C MET B 88 13.860 -5.547 -3.834 1.00 0.37 C ATOM 3073 O MET B 88 14.473 -4.650 -4.415 1.00 0.40 O ATOM 3074 CB MET B 88 14.397 -5.741 -1.381 1.00 0.52 C ATOM 3075 CG MET B 88 12.978 -5.769 -0.831 1.00 0.73 C ATOM 3076 SD MET B 88 12.932 -5.783 0.974 1.00 1.53 S ATOM 3077 CE MET B 88 13.854 -4.295 1.352 1.00 0.91 C ATOM 0 H MET B 88 16.405 -5.700 -3.444 1.00 0.31 H new ATOM 0 HA MET B 88 14.072 -7.367 -2.741 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.057 -6.252 -0.680 1.00 0.52 H new ATOM 0 HB3 MET B 88 14.732 -4.705 -1.437 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.433 -4.899 -1.198 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.463 -6.651 -1.211 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.568 -3.931 2.339 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.921 -4.516 1.342 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.634 -3.531 0.606 1.00 0.91 H new ATOM 3087 N ARG B 89 12.599 -5.853 -4.109 1.00 0.36 N ATOM 3088 CA ARG B 89 11.841 -5.122 -5.115 1.00 0.37 C ATOM 3089 C ARG B 89 10.779 -4.257 -4.443 1.00 0.36 C ATOM 3090 O ARG B 89 9.812 -4.759 -3.871 1.00 0.42 O ATOM 3091 CB ARG B 89 11.206 -6.083 -6.131 1.00 0.44 C ATOM 3092 CG ARG B 89 10.344 -7.170 -5.510 1.00 0.58 C ATOM 3093 CD ARG B 89 9.845 -8.148 -6.557 1.00 0.97 C ATOM 3094 NE ARG B 89 8.736 -8.964 -6.066 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.651 -9.244 -6.785 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.568 -8.846 -8.049 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.664 -9.947 -6.250 1.00 3.80 N ATOM 0 H ARG B 89 12.080 -6.602 -3.650 1.00 0.36 H new ATOM 0 HA ARG B 89 12.525 -4.471 -5.660 1.00 0.37 H new ATOM 0 HB2 ARG B 89 10.597 -5.506 -6.827 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.998 -6.553 -6.714 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.919 -7.706 -4.755 1.00 0.58 H new ATOM 0 HG3 ARG B 89 9.494 -6.716 -5.000 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.525 -7.598 -7.442 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.664 -8.798 -6.864 1.00 0.97 H new ATOM 0 HE ARG B 89 8.797 -9.340 -5.120 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.336 -8.325 -8.471 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.736 -9.062 -8.598 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.735 -10.274 -5.287 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.833 -10.161 -6.802 1.00 3.80 H new ATOM 3111 N THR B 90 10.973 -2.957 -4.498 1.00 0.33 N ATOM 3112 CA THR B 90 10.049 -2.026 -3.885 1.00 0.34 C ATOM 3113 C THR B 90 9.038 -1.493 -4.893 1.00 0.31 C ATOM 3114 O THR B 90 9.387 -0.751 -5.812 1.00 0.34 O ATOM 3115 CB THR B 90 10.808 -0.852 -3.252 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.006 -1.334 -2.631 1.00 0.43 O ATOM 3117 CG2 THR B 90 9.948 -0.144 -2.220 1.00 0.43 C ATOM 0 H THR B 90 11.767 -2.518 -4.964 1.00 0.33 H new ATOM 0 HA THR B 90 9.508 -2.570 -3.110 1.00 0.34 H new ATOM 0 HB THR B 90 11.060 -0.140 -4.038 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.773 -1.934 -1.892 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.508 0.684 -1.786 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.047 0.239 -2.699 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.671 -0.846 -1.434 1.00 0.43 H new ATOM 3125 N SER B 91 7.790 -1.895 -4.727 1.00 0.28 N ATOM 3126 CA SER B 91 6.720 -1.446 -5.596 1.00 0.27 C ATOM 3127 C SER B 91 6.176 -0.120 -5.077 1.00 0.23 C ATOM 3128 O SER B 91 5.322 -0.087 -4.192 1.00 0.28 O ATOM 3129 CB SER B 91 5.618 -2.503 -5.659 1.00 0.36 C ATOM 3130 OG SER B 91 6.159 -3.766 -6.015 1.00 0.97 O ATOM 0 H SER B 91 7.493 -2.537 -3.992 1.00 0.28 H new ATOM 0 HA SER B 91 7.102 -1.298 -6.606 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.119 -2.574 -4.693 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.863 -2.206 -6.387 1.00 0.36 H new ATOM 0 HG SER B 91 6.350 -3.781 -6.976 1.00 0.97 H new ATOM 3136 N SER B 92 6.698 0.965 -5.620 1.00 0.23 N ATOM 3137 CA SER B 92 6.305 2.298 -5.200 1.00 0.28 C ATOM 3138 C SER B 92 5.051 2.777 -5.929 1.00 0.26 C ATOM 3139 O SER B 92 5.000 2.802 -7.157 1.00 0.36 O ATOM 3140 CB SER B 92 7.467 3.262 -5.435 1.00 0.36 C ATOM 3141 OG SER B 92 8.656 2.772 -4.834 1.00 1.27 O ATOM 0 H SER B 92 7.401 0.948 -6.359 1.00 0.23 H new ATOM 0 HA SER B 92 6.062 2.268 -4.138 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.624 3.396 -6.505 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.222 4.241 -5.023 1.00 0.36 H new ATOM 0 HG SER B 92 8.705 3.083 -3.906 1.00 1.27 H new ATOM 3147 N PHE B 93 4.037 3.132 -5.153 1.00 0.25 N ATOM 3148 CA PHE B 93 2.779 3.624 -5.688 1.00 0.27 C ATOM 3149 C PHE B 93 2.641 5.108 -5.371 1.00 0.25 C ATOM 3150 O PHE B 93 2.831 5.521 -4.225 1.00 0.25 O ATOM 3151 CB PHE B 93 1.610 2.847 -5.070 1.00 0.33 C ATOM 3152 CG PHE B 93 0.397 2.742 -5.952 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.358 3.862 -6.260 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.008 1.516 -6.467 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.474 3.762 -7.066 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.107 1.410 -7.274 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.849 2.535 -7.574 1.00 0.50 C ATOM 0 H PHE B 93 4.065 3.086 -4.134 1.00 0.25 H new ATOM 0 HA PHE B 93 2.765 3.482 -6.769 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.950 1.842 -4.820 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.324 3.329 -4.135 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.070 4.825 -5.865 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.584 0.633 -6.234 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.053 4.643 -7.299 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.398 0.448 -7.670 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.722 2.455 -8.205 1.00 0.50 H new ATOM 3167 N THR B 94 2.338 5.911 -6.377 1.00 0.30 N ATOM 3168 CA THR B 94 2.183 7.344 -6.176 1.00 0.31 C ATOM 3169 C THR B 94 0.929 7.656 -5.367 1.00 0.33 C ATOM 3170 O THR B 94 -0.187 7.480 -5.852 1.00 0.37 O ATOM 3171 CB THR B 94 2.092 8.092 -7.515 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.659 7.296 -8.564 1.00 0.59 O ATOM 3173 CG2 THR B 94 2.814 9.429 -7.430 1.00 0.37 C ATOM 0 H THR B 94 2.195 5.598 -7.337 1.00 0.30 H new ATOM 0 HA THR B 94 3.066 7.678 -5.631 1.00 0.31 H new ATOM 0 HB THR B 94 1.041 8.277 -7.736 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.401 7.783 -8.980 1.00 0.59 H new ATOM 0 HG21 THR B 94 2.739 9.945 -8.387 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.357 10.040 -6.652 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.864 9.261 -7.190 1.00 0.37 H new ATOM 3181 N PHE B 95 1.114 8.119 -4.136 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.010 8.464 -3.279 1.00 0.41 C ATOM 3183 C PHE B 95 -0.371 9.928 -3.478 1.00 0.45 C ATOM 3184 O PHE B 95 0.165 10.816 -2.807 1.00 0.49 O ATOM 3185 CB PHE B 95 0.316 8.187 -1.809 1.00 0.48 C ATOM 3186 CG PHE B 95 -0.903 8.061 -0.941 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -1.596 6.863 -0.876 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -1.355 9.135 -0.189 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -2.717 6.739 -0.078 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -2.476 9.016 0.610 1.00 1.03 C ATOM 3191 CZ PHE B 95 -3.157 7.816 0.666 1.00 0.78 C ATOM 0 H PHE B 95 2.030 8.263 -3.711 1.00 0.35 H new ATOM 0 HA PHE B 95 -0.863 7.843 -3.553 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.898 7.268 -1.741 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.944 8.991 -1.426 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.256 6.017 -1.455 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -0.825 10.075 -0.228 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -3.249 5.800 -0.036 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -2.819 9.860 1.190 1.00 1.03 H new ATOM 0 HZ PHE B 95 -4.033 7.720 1.291 1.00 0.78 H new ATOM 3201 N GLN B 96 -1.258 10.175 -4.424 1.00 0.51 N ATOM 3202 CA GLN B 96 -1.691 11.525 -4.733 1.00 0.56 C ATOM 3203 C GLN B 96 -3.188 11.677 -4.517 1.00 0.63 C ATOM 3204 O GLN B 96 -3.914 10.691 -4.389 1.00 0.71 O ATOM 3205 CB GLN B 96 -1.324 11.898 -6.178 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.213 10.714 -7.131 1.00 0.74 C ATOM 3207 CD GLN B 96 -2.534 10.001 -7.358 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -2.835 9.008 -6.699 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -3.330 10.507 -8.284 1.00 0.91 N ATOM 0 H GLN B 96 -1.695 9.452 -4.996 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.173 12.205 -4.056 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.075 12.588 -6.563 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -0.374 12.432 -6.171 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.827 11.062 -8.089 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.488 10.004 -6.734 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -3.042 11.333 -8.808 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -4.233 10.072 -8.474 1.00 0.91 H new ATOM 3218 N ASN B 97 -3.636 12.918 -4.464 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.043 13.216 -4.280 1.00 0.91 C ATOM 3220 C ASN B 97 -5.670 13.571 -5.621 1.00 0.97 C ATOM 3221 O ASN B 97 -5.154 14.416 -6.355 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.230 14.360 -3.281 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.061 13.906 -1.845 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.027 13.518 -1.185 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -3.834 13.951 -1.348 1.00 1.65 N ATOM 0 H ASN B 97 -3.040 13.741 -4.547 1.00 0.73 H new ATOM 0 HA ASN B 97 -5.540 12.334 -3.876 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -4.509 15.149 -3.497 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.223 14.791 -3.408 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -3.662 13.658 -0.386 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -3.061 14.279 -1.927 1.00 1.65 H new ATOM 3232 N PRO B 98 -6.795 12.927 -5.956 1.00 1.12 N ATOM 3233 CA PRO B 98 -7.500 13.150 -7.222 1.00 1.28 C ATOM 3234 C PRO B 98 -8.365 14.407 -7.209 1.00 1.35 C ATOM 3235 O PRO B 98 -9.340 14.508 -7.956 1.00 1.41 O ATOM 3236 CB PRO B 98 -8.378 11.908 -7.332 1.00 1.50 C ATOM 3237 CG PRO B 98 -8.696 11.559 -5.922 1.00 1.51 C ATOM 3238 CD PRO B 98 -7.474 11.918 -5.120 1.00 1.26 C ATOM 0 HA PRO B 98 -6.812 13.299 -8.054 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -9.282 12.109 -7.906 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -7.856 11.094 -7.835 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -9.569 12.110 -5.571 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -8.928 10.498 -5.825 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -7.740 12.320 -4.142 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -6.839 11.049 -4.945 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.001 15.365 -6.371 1.00 1.39 N ATOM 3247 CA TYR B 99 -8.756 16.600 -6.261 1.00 1.52 C ATOM 3248 C TYR B 99 -8.125 17.693 -7.111 1.00 1.54 C ATOM 3249 O TYR B 99 -8.742 18.197 -8.048 1.00 1.80 O ATOM 3250 CB TYR B 99 -8.847 17.038 -4.799 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.442 15.977 -3.903 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -10.794 15.664 -3.972 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -8.652 15.281 -3.000 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -11.341 14.686 -3.162 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.190 14.301 -2.189 1.00 2.10 C ATOM 3256 CZ TYR B 99 -10.534 14.006 -2.273 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.071 13.029 -1.463 1.00 2.90 O ATOM 0 H TYR B 99 -7.188 15.310 -5.758 1.00 1.39 H new ATOM 0 HA TYR B 99 -9.765 16.422 -6.632 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -7.850 17.293 -4.439 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.451 17.943 -4.733 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.427 16.193 -4.669 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -7.599 15.509 -2.930 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -12.394 14.456 -3.225 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -8.560 13.768 -1.492 1.00 2.10 H new ATOM 0 HH TYR B 99 -11.183 13.381 -0.555 1.00 2.90 H new ATOM 3267 N SER B 100 -6.888 18.040 -6.797 1.00 1.37 N ATOM 3268 CA SER B 100 -6.176 19.071 -7.533 1.00 1.42 C ATOM 3269 C SER B 100 -4.784 18.576 -7.922 1.00 1.24 C ATOM 3270 O SER B 100 -3.857 19.373 -8.086 1.00 1.29 O ATOM 3271 CB SER B 100 -6.070 20.342 -6.686 1.00 1.52 C ATOM 3272 OG SER B 100 -7.330 20.711 -6.140 1.00 2.27 O ATOM 0 H SER B 100 -6.355 17.621 -6.035 1.00 1.37 H new ATOM 0 HA SER B 100 -6.730 19.301 -8.443 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.355 20.184 -5.879 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.685 21.157 -7.298 1.00 1.52 H new ATOM 0 HG SER B 100 -7.228 21.525 -5.603 1.00 2.27 H new ATOM 3278 N ASP B 101 -4.655 17.256 -8.073 1.00 1.08 N ATOM 3279 CA ASP B 101 -3.385 16.624 -8.444 1.00 0.96 C ATOM 3280 C ASP B 101 -2.305 16.940 -7.407 1.00 0.87 C ATOM 3281 O ASP B 101 -1.230 17.444 -7.733 1.00 0.91 O ATOM 3282 CB ASP B 101 -2.949 17.080 -9.847 1.00 1.15 C ATOM 3283 CG ASP B 101 -1.761 16.305 -10.391 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -1.889 15.089 -10.622 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -0.695 16.920 -10.620 1.00 1.27 O ATOM 0 H ASP B 101 -5.423 16.597 -7.943 1.00 1.08 H new ATOM 0 HA ASP B 101 -3.527 15.544 -8.466 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -3.789 16.972 -10.533 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -2.698 18.140 -9.815 1.00 1.15 H new ATOM 3290 N GLU B 102 -2.608 16.656 -6.146 1.00 0.88 N ATOM 3291 CA GLU B 102 -1.670 16.914 -5.059 1.00 0.85 C ATOM 3292 C GLU B 102 -1.016 15.623 -4.582 1.00 0.72 C ATOM 3293 O GLU B 102 -1.667 14.777 -3.970 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.375 17.589 -3.878 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.454 18.579 -4.284 1.00 1.30 C ATOM 3296 CD GLU B 102 -4.850 18.036 -4.064 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.293 17.181 -4.856 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.513 18.473 -3.101 1.00 1.82 O ATOM 0 H GLU B 102 -3.495 16.247 -5.851 1.00 0.88 H new ATOM 0 HA GLU B 102 -0.900 17.581 -5.446 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -2.821 16.820 -3.247 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -1.631 18.107 -3.272 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.331 19.500 -3.713 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.329 18.837 -5.336 1.00 1.30 H new ATOM 3305 N ILE B 103 0.268 15.478 -4.862 1.00 0.68 N ATOM 3306 CA ILE B 103 1.006 14.294 -4.446 1.00 0.59 C ATOM 3307 C ILE B 103 1.488 14.457 -3.009 1.00 0.61 C ATOM 3308 O ILE B 103 2.224 15.394 -2.693 1.00 0.74 O ATOM 3309 CB ILE B 103 2.218 14.022 -5.366 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.770 13.935 -6.830 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.933 12.740 -4.948 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.908 13.714 -7.805 1.00 0.99 C ATOM 0 H ILE B 103 0.822 16.164 -5.375 1.00 0.68 H new ATOM 0 HA ILE B 103 0.328 13.444 -4.517 1.00 0.59 H new ATOM 0 HB ILE B 103 2.918 14.852 -5.267 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.052 13.121 -6.933 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.249 14.855 -7.096 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.783 12.566 -5.608 1.00 0.56 H new ATOM 0 HG22 ILE B 103 3.285 12.838 -3.921 1.00 0.56 H new ATOM 0 HG23 ILE B 103 2.243 11.899 -5.017 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.513 13.663 -8.820 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.615 14.540 -7.732 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.416 12.779 -7.566 1.00 0.99 H new ATOM 3324 N GLU B 104 1.060 13.554 -2.140 1.00 0.54 N ATOM 3325 CA GLU B 104 1.445 13.610 -0.738 1.00 0.59 C ATOM 3326 C GLU B 104 2.798 12.942 -0.523 1.00 0.51 C ATOM 3327 O GLU B 104 3.746 13.569 -0.044 1.00 0.56 O ATOM 3328 CB GLU B 104 0.384 12.937 0.136 1.00 0.69 C ATOM 3329 CG GLU B 104 -0.955 13.653 0.143 1.00 0.85 C ATOM 3330 CD GLU B 104 -1.828 13.230 1.306 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -1.350 13.283 2.456 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -2.994 12.843 1.081 1.00 1.33 O ATOM 0 H GLU B 104 0.447 12.775 -2.380 1.00 0.54 H new ATOM 0 HA GLU B 104 1.525 14.658 -0.450 1.00 0.59 H new ATOM 0 HB2 GLU B 104 0.236 11.915 -0.212 1.00 0.69 H new ATOM 0 HB3 GLU B 104 0.756 12.875 1.158 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -0.789 14.729 0.189 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -1.477 13.451 -0.792 1.00 0.85 H new ATOM 3339 N TYR B 105 2.884 11.673 -0.897 1.00 0.42 N ATOM 3340 CA TYR B 105 4.110 10.907 -0.738 1.00 0.40 C ATOM 3341 C TYR B 105 4.078 9.665 -1.625 1.00 0.33 C ATOM 3342 O TYR B 105 3.213 9.539 -2.495 1.00 0.37 O ATOM 3343 CB TYR B 105 4.321 10.523 0.736 1.00 0.46 C ATOM 3344 CG TYR B 105 3.148 9.811 1.378 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.082 10.526 1.910 1.00 0.59 C ATOM 3346 CD2 TYR B 105 3.112 8.426 1.458 1.00 0.45 C ATOM 3347 CE1 TYR B 105 1.012 9.881 2.499 1.00 0.67 C ATOM 3348 CE2 TYR B 105 2.046 7.775 2.047 1.00 0.55 C ATOM 3349 CZ TYR B 105 0.999 8.506 2.564 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.063 7.859 3.148 1.00 0.77 O ATOM 0 H TYR B 105 2.114 11.151 -1.315 1.00 0.42 H new ATOM 0 HA TYR B 105 4.951 11.528 -1.048 1.00 0.40 H new ATOM 0 HB2 TYR B 105 5.201 9.884 0.809 1.00 0.46 H new ATOM 0 HB3 TYR B 105 4.536 11.427 1.306 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.090 11.605 1.862 1.00 0.59 H new ATOM 0 HD2 TYR B 105 3.930 7.849 1.053 1.00 0.45 H new ATOM 0 HE1 TYR B 105 0.191 10.452 2.906 1.00 0.67 H new ATOM 0 HE2 TYR B 105 2.033 6.696 2.102 1.00 0.55 H new ATOM 0 HH TYR B 105 -0.041 6.910 2.906 1.00 0.77 H new ATOM 3360 N ILE B 106 5.014 8.751 -1.406 1.00 0.26 N ATOM 3361 CA ILE B 106 5.090 7.538 -2.206 1.00 0.25 C ATOM 3362 C ILE B 106 4.897 6.287 -1.351 1.00 0.26 C ATOM 3363 O ILE B 106 5.527 6.131 -0.301 1.00 0.28 O ATOM 3364 CB ILE B 106 6.444 7.436 -2.946 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.722 8.709 -3.753 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.456 6.220 -3.857 1.00 0.30 C ATOM 3367 CD1 ILE B 106 8.072 8.708 -4.445 1.00 0.36 C ATOM 0 H ILE B 106 5.729 8.827 -0.683 1.00 0.26 H new ATOM 0 HA ILE B 106 4.283 7.597 -2.936 1.00 0.25 H new ATOM 0 HB ILE B 106 7.233 7.325 -2.202 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.940 8.832 -4.502 1.00 0.31 H new ATOM 0 HG13 ILE B 106 6.665 9.570 -3.088 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.415 6.160 -4.372 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.307 5.319 -3.263 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.655 6.307 -4.591 1.00 0.30 H new ATOM 0 HD11 ILE B 106 8.199 9.640 -4.996 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.863 8.617 -3.700 1.00 0.36 H new ATOM 0 HD13 ILE B 106 8.126 7.867 -5.136 1.00 0.36 H new ATOM 3379 N ILE B 107 4.015 5.407 -1.805 1.00 0.29 N ATOM 3380 CA ILE B 107 3.750 4.155 -1.117 1.00 0.34 C ATOM 3381 C ILE B 107 4.743 3.100 -1.592 1.00 0.40 C ATOM 3382 O ILE B 107 4.502 2.398 -2.573 1.00 0.52 O ATOM 3383 CB ILE B 107 2.308 3.658 -1.375 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.286 4.692 -0.892 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.067 2.315 -0.697 1.00 0.53 C ATOM 3386 CD1 ILE B 107 1.204 4.817 0.616 1.00 0.79 C ATOM 0 H ILE B 107 3.467 5.541 -2.655 1.00 0.29 H new ATOM 0 HA ILE B 107 3.861 4.325 -0.046 1.00 0.34 H new ATOM 0 HB ILE B 107 2.184 3.525 -2.450 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.540 5.664 -1.314 1.00 0.46 H new ATOM 0 HG13 ILE B 107 0.303 4.424 -1.278 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.046 1.986 -0.893 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.767 1.578 -1.090 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.215 2.418 0.378 1.00 0.53 H new ATOM 0 HD11 ILE B 107 0.459 5.568 0.879 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.918 3.857 1.046 1.00 0.79 H new ATOM 0 HD13 ILE B 107 2.175 5.116 1.010 1.00 0.79 H new ATOM 3398 N CYS B 108 5.879 3.017 -0.925 1.00 0.39 N ATOM 3399 CA CYS B 108 6.899 2.055 -1.297 1.00 0.47 C ATOM 3400 C CYS B 108 6.612 0.687 -0.694 1.00 0.37 C ATOM 3401 O CYS B 108 6.975 0.407 0.448 1.00 0.43 O ATOM 3402 CB CYS B 108 8.276 2.552 -0.870 1.00 0.61 C ATOM 3403 SG CYS B 108 8.938 3.844 -1.943 1.00 1.55 S ATOM 0 H CYS B 108 6.118 3.603 -0.125 1.00 0.39 H new ATOM 0 HA CYS B 108 6.886 1.950 -2.382 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.216 2.932 0.150 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.969 1.711 -0.856 1.00 0.61 H new ATOM 0 HG CYS B 108 9.254 4.882 -1.228 1.00 1.55 H new ATOM 3409 N THR B 109 5.945 -0.153 -1.462 1.00 0.32 N ATOM 3410 CA THR B 109 5.614 -1.493 -1.017 1.00 0.29 C ATOM 3411 C THR B 109 6.798 -2.429 -1.236 1.00 0.26 C ATOM 3412 O THR B 109 7.016 -2.928 -2.341 1.00 0.27 O ATOM 3413 CB THR B 109 4.384 -2.033 -1.765 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.486 -0.955 -2.063 1.00 0.48 O ATOM 3415 CG2 THR B 109 3.665 -3.085 -0.935 1.00 0.49 C ATOM 0 H THR B 109 5.620 0.071 -2.403 1.00 0.32 H new ATOM 0 HA THR B 109 5.382 -1.446 0.047 1.00 0.29 H new ATOM 0 HB THR B 109 4.720 -2.496 -2.693 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.798 -0.480 -2.862 1.00 0.48 H new ATOM 0 HG21 THR B 109 2.798 -3.452 -1.485 1.00 0.49 H new ATOM 0 HG22 THR B 109 4.343 -3.914 -0.731 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.337 -2.644 0.007 1.00 0.49 H new ATOM 3423 N ASN B 110 7.567 -2.650 -0.182 1.00 0.35 N ATOM 3424 CA ASN B 110 8.736 -3.512 -0.253 1.00 0.40 C ATOM 3425 C ASN B 110 8.316 -4.964 -0.375 1.00 0.45 C ATOM 3426 O ASN B 110 7.775 -5.543 0.563 1.00 0.57 O ATOM 3427 CB ASN B 110 9.613 -3.321 0.983 1.00 0.53 C ATOM 3428 CG ASN B 110 10.783 -2.396 0.722 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.462 -2.510 -0.296 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.016 -1.460 1.629 1.00 1.84 N ATOM 0 H ASN B 110 7.401 -2.242 0.738 1.00 0.35 H new ATOM 0 HA ASN B 110 9.312 -3.239 -1.137 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.009 -2.918 1.795 1.00 0.53 H new ATOM 0 HB3 ASN B 110 9.986 -4.290 1.314 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.782 -0.800 1.496 1.00 1.84 H new ATOM 0 HD22 ASN B 110 10.429 -1.399 2.461 1.00 1.84 H new ATOM 3437 N THR B 111 8.553 -5.538 -1.540 1.00 0.39 N ATOM 3438 CA THR B 111 8.198 -6.918 -1.800 1.00 0.41 C ATOM 3439 C THR B 111 9.450 -7.771 -1.967 1.00 0.38 C ATOM 3440 O THR B 111 10.509 -7.274 -2.360 1.00 0.43 O ATOM 3441 CB THR B 111 7.334 -7.029 -3.071 1.00 0.45 C ATOM 3442 OG1 THR B 111 6.682 -5.773 -3.325 1.00 0.50 O ATOM 3443 CG2 THR B 111 6.289 -8.128 -2.930 1.00 0.52 C ATOM 0 H THR B 111 8.994 -5.063 -2.327 1.00 0.39 H new ATOM 0 HA THR B 111 7.626 -7.281 -0.946 1.00 0.41 H new ATOM 0 HB THR B 111 7.987 -7.282 -3.906 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.771 -5.544 -4.274 1.00 0.50 H new ATOM 0 HG21 THR B 111 5.694 -8.183 -3.842 1.00 0.52 H new ATOM 0 HG22 THR B 111 6.786 -9.083 -2.762 1.00 0.52 H new ATOM 0 HG23 THR B 111 5.638 -7.905 -2.085 1.00 0.52 H new ATOM 3451 N ASN B 112 9.329 -9.050 -1.663 1.00 0.36 N ATOM 3452 CA ASN B 112 10.444 -9.972 -1.787 1.00 0.36 C ATOM 3453 C ASN B 112 10.441 -10.617 -3.165 1.00 0.34 C ATOM 3454 O ASN B 112 9.426 -10.605 -3.864 1.00 0.37 O ATOM 3455 CB ASN B 112 10.379 -11.052 -0.702 1.00 0.45 C ATOM 3456 CG ASN B 112 9.062 -11.811 -0.691 1.00 0.39 C ATOM 3457 OD1 ASN B 112 8.909 -12.828 -1.366 1.00 0.71 O ATOM 3458 ND2 ASN B 112 8.101 -11.321 0.079 1.00 0.42 N ATOM 0 H ASN B 112 8.465 -9.476 -1.327 1.00 0.36 H new ATOM 0 HA ASN B 112 11.369 -9.410 -1.659 1.00 0.36 H new ATOM 0 HB2 ASN B 112 11.196 -11.758 -0.851 1.00 0.45 H new ATOM 0 HB3 ASN B 112 10.532 -10.589 0.273 1.00 0.45 H new ATOM 0 HD21 ASN B 112 7.196 -11.790 0.126 1.00 0.42 H new ATOM 0 HD22 ASN B 112 8.266 -10.475 0.624 1.00 0.42 H new ATOM 3465 N VAL B 113 11.584 -11.143 -3.567 1.00 0.36 N ATOM 3466 CA VAL B 113 11.706 -11.802 -4.855 1.00 0.44 C ATOM 3467 C VAL B 113 12.115 -13.254 -4.651 1.00 0.50 C ATOM 3468 O VAL B 113 11.272 -14.133 -4.467 1.00 0.78 O ATOM 3469 CB VAL B 113 12.745 -11.113 -5.772 1.00 0.52 C ATOM 3470 CG1 VAL B 113 12.234 -11.039 -7.199 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.105 -9.723 -5.265 1.00 0.83 C ATOM 0 H VAL B 113 12.444 -11.126 -3.018 1.00 0.36 H new ATOM 0 HA VAL B 113 10.733 -11.740 -5.342 1.00 0.44 H new ATOM 0 HB VAL B 113 13.651 -11.719 -5.755 1.00 0.52 H new ATOM 0 HG11 VAL B 113 12.979 -10.551 -7.827 1.00 0.98 H new ATOM 0 HG12 VAL B 113 12.048 -12.046 -7.572 1.00 0.98 H new ATOM 0 HG13 VAL B 113 11.307 -10.466 -7.224 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.837 -9.270 -5.934 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.209 -9.103 -5.235 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.528 -9.799 -4.263 1.00 0.83 H new ATOM 3481 N LYS B 114 13.414 -13.490 -4.647 1.00 0.66 N ATOM 3482 CA LYS B 114 13.949 -14.823 -4.462 1.00 0.80 C ATOM 3483 C LYS B 114 15.061 -14.782 -3.422 1.00 0.96 C ATOM 3484 O LYS B 114 16.233 -14.579 -3.806 1.00 1.54 O ATOM 3485 CB LYS B 114 14.470 -15.375 -5.796 1.00 1.37 C ATOM 3486 CG LYS B 114 15.240 -16.680 -5.663 1.00 1.56 C ATOM 3487 CD LYS B 114 16.121 -16.947 -6.875 1.00 2.38 C ATOM 3488 CE LYS B 114 16.999 -15.750 -7.218 1.00 2.81 C ATOM 3489 NZ LYS B 114 17.722 -15.213 -6.032 1.00 3.21 N ATOM 3490 OXT LYS B 114 14.752 -14.922 -2.221 1.00 0.67 O ATOM 0 H LYS B 114 14.123 -12.767 -4.771 1.00 0.66 H new ATOM 0 HA LYS B 114 13.159 -15.486 -4.108 1.00 0.80 H new ATOM 0 HB2 LYS B 114 13.626 -15.529 -6.469 1.00 1.37 H new ATOM 0 HB3 LYS B 114 15.115 -14.629 -6.260 1.00 1.37 H new ATOM 0 HG2 LYS B 114 15.858 -16.647 -4.766 1.00 1.56 H new ATOM 0 HG3 LYS B 114 14.538 -17.504 -5.536 1.00 1.56 H new ATOM 0 HD2 LYS B 114 16.751 -17.815 -6.681 1.00 2.38 H new ATOM 0 HD3 LYS B 114 15.494 -17.194 -7.732 1.00 2.38 H new ATOM 0 HE2 LYS B 114 17.723 -16.041 -7.979 1.00 2.81 H new ATOM 0 HE3 LYS B 114 16.381 -14.963 -7.650 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 18.330 -14.422 -6.325 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 17.034 -14.878 -5.328 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 18.308 -15.964 -5.613 1.00 3.21 H new TER 3504 LYS B 114