USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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: A 78 GLN : amide:sc= -20.9! C(o=-30!,f=-36!) USER MOD Set 1.2: A 126 MET CE :methyl 153:sc= -9.56! (180deg=-11.8!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -163:sc= -0.303 (180deg=-0.382) USER MOD Set 2.2: A 70 GLN : amide:sc= -4.04! K(o=-4.3!,f=-2.3) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 0.184 (180deg=-1.1) USER MOD Single : A 42 HIS : no HE2:sc= -15.6! C(o=-16!,f=-12!) USER MOD Single : A 45 CYS SG : rot 2:sc= -6.01! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-4.8!) USER MOD Single : A 52 MET CE :methyl -178:sc= -14.9! (180deg=-15.1!) USER MOD Single : A 55 MET CE :methyl -173:sc= -4.87! (180deg=-5.17!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.0554 (180deg=-0.257) USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= -0.206 (180deg=-1.64!) USER MOD Single : A 60 SER OG : rot 71:sc= -0.657! USER MOD Single : A 62 MET CE :methyl -175:sc= -4.76! (180deg=-4.91!) USER MOD Single : A 65 ASN : amide:sc= -4.56! C(o=-4.6!,f=-8.7!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 120:sc= -0.879! USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= -0.245 (180deg=-2.17!) USER MOD Single : A 85 MET CE :methyl 174:sc= 0 (180deg=-0.0502) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -170:sc= -2.6 (180deg=-2.88) USER MOD Single : A 95 GLN : amide:sc= -0.966 K(o=-0.97,f=-2.5!) USER MOD Single : A 104 SER OG : rot -143:sc= 0.0902 USER MOD Single : A 106 MET CE :methyl -107:sc= -12.2! (180deg=-18.1!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 117 LYS NZ :NH3+ 167:sc= -0.0244 (180deg=-0.163) USER MOD Single : A 118 THR OG1 : rot -170:sc= -3! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -20.5! C(o=-20!,f=-23!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 71.206 -19.904 -7.185 1.00 0.00 N ATOM 2 CA GLY A 28 72.026 -21.029 -6.650 1.00 0.00 C ATOM 3 C GLY A 28 73.482 -20.579 -6.516 1.00 0.00 C ATOM 4 O GLY A 28 73.804 -19.717 -5.722 1.00 0.00 O ATOM 0 HA2 GLY A 28 71.641 -21.345 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 28 71.960 -21.890 -7.315 1.00 0.00 H new ATOM 10 N SER A 29 74.364 -21.154 -7.285 1.00 0.00 N ATOM 11 CA SER A 29 75.799 -20.758 -7.201 1.00 0.00 C ATOM 12 C SER A 29 76.261 -20.747 -5.742 1.00 0.00 C ATOM 13 O SER A 29 76.226 -19.731 -5.076 1.00 0.00 O ATOM 14 CB SER A 29 75.855 -19.348 -7.791 1.00 0.00 C ATOM 15 OG SER A 29 75.663 -19.415 -9.197 1.00 0.00 O ATOM 0 H SER A 29 74.154 -21.881 -7.969 1.00 0.00 H new ATOM 0 HA SER A 29 76.450 -21.450 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 75.087 -18.722 -7.338 1.00 0.00 H new ATOM 0 HB3 SER A 29 76.816 -18.886 -7.566 1.00 0.00 H new ATOM 0 HG SER A 29 75.697 -18.512 -9.575 1.00 0.00 H new ATOM 21 N GLY A 30 76.694 -21.871 -5.238 1.00 0.00 N ATOM 22 CA GLY A 30 77.157 -21.924 -3.823 1.00 0.00 C ATOM 23 C GLY A 30 76.364 -22.997 -3.068 1.00 0.00 C ATOM 24 O GLY A 30 75.235 -23.283 -3.411 1.00 0.00 O ATOM 0 H GLY A 30 76.747 -22.754 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 30 78.223 -22.150 -3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 30 77.020 -20.953 -3.347 1.00 0.00 H new ATOM 28 N PRO A 31 76.983 -23.559 -2.059 1.00 0.00 N ATOM 29 CA PRO A 31 76.323 -24.610 -1.250 1.00 0.00 C ATOM 30 C PRO A 31 75.067 -24.057 -0.570 1.00 0.00 C ATOM 31 O PRO A 31 73.970 -24.532 -0.790 1.00 0.00 O ATOM 32 CB PRO A 31 77.395 -24.964 -0.216 1.00 0.00 C ATOM 33 CG PRO A 31 78.640 -24.091 -0.474 1.00 0.00 C ATOM 34 CD PRO A 31 78.364 -23.177 -1.675 1.00 0.00 C ATOM 0 HA PRO A 31 75.990 -25.467 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 31 77.017 -24.795 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 31 77.653 -26.021 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 31 78.872 -23.495 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 31 79.508 -24.720 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 31 78.434 -22.123 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 31 79.072 -23.347 -2.486 1.00 0.00 H new ATOM 42 N LYS A 32 75.219 -23.056 0.254 1.00 0.00 N ATOM 43 CA LYS A 32 74.034 -22.473 0.948 1.00 0.00 C ATOM 44 C LYS A 32 73.978 -20.961 0.719 1.00 0.00 C ATOM 45 O LYS A 32 73.335 -20.236 1.453 1.00 0.00 O ATOM 46 CB LYS A 32 74.254 -22.782 2.429 1.00 0.00 C ATOM 47 CG LYS A 32 73.294 -23.890 2.868 1.00 0.00 C ATOM 48 CD LYS A 32 72.828 -23.620 4.300 1.00 0.00 C ATOM 49 CE LYS A 32 71.646 -22.647 4.277 1.00 0.00 C ATOM 50 NZ LYS A 32 70.436 -23.517 4.283 1.00 0.00 N ATOM 0 H LYS A 32 76.112 -22.616 0.477 1.00 0.00 H new ATOM 0 HA LYS A 32 73.095 -22.885 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 32 75.285 -23.092 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 32 74.089 -21.886 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 32 72.437 -23.931 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 32 73.789 -24.859 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 32 72.535 -24.553 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 32 73.646 -23.202 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 32 71.662 -21.985 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 32 71.673 -22.013 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 69.582 -22.924 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 70.446 -24.131 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 70.435 -24.104 5.141 1.00 0.00 H new ATOM 64 N GLY A 33 74.648 -20.478 -0.290 1.00 0.00 N ATOM 65 CA GLY A 33 74.634 -19.014 -0.562 1.00 0.00 C ATOM 66 C GLY A 33 75.692 -18.327 0.303 1.00 0.00 C ATOM 67 O GLY A 33 76.153 -18.872 1.286 1.00 0.00 O ATOM 0 H GLY A 33 75.205 -21.035 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 33 74.833 -18.827 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 33 73.648 -18.602 -0.346 1.00 0.00 H new ATOM 71 N GLY A 34 76.081 -17.133 -0.054 1.00 0.00 N ATOM 72 CA GLY A 34 77.109 -16.414 0.751 1.00 0.00 C ATOM 73 C GLY A 34 78.390 -16.266 -0.073 1.00 0.00 C ATOM 74 O GLY A 34 78.353 -15.939 -1.243 1.00 0.00 O ATOM 0 H GLY A 34 75.732 -16.625 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 34 76.736 -15.432 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 34 77.316 -16.963 1.670 1.00 0.00 H new ATOM 78 N GLY A 35 79.522 -16.504 0.529 1.00 0.00 N ATOM 79 CA GLY A 35 80.805 -16.376 -0.219 1.00 0.00 C ATOM 80 C GLY A 35 81.957 -16.215 0.775 1.00 0.00 C ATOM 81 O GLY A 35 81.832 -16.529 1.942 1.00 0.00 O ATOM 0 H GLY A 35 79.615 -16.782 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 35 80.966 -17.257 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 35 80.765 -15.517 -0.888 1.00 0.00 H new ATOM 85 N ASN A 36 83.080 -15.726 0.323 1.00 0.00 N ATOM 86 CA ASN A 36 84.239 -15.545 1.245 1.00 0.00 C ATOM 87 C ASN A 36 84.709 -14.089 1.225 1.00 0.00 C ATOM 88 O ASN A 36 84.517 -13.348 2.168 1.00 0.00 O ATOM 89 CB ASN A 36 85.328 -16.468 0.697 1.00 0.00 C ATOM 90 CG ASN A 36 85.462 -17.695 1.602 1.00 0.00 C ATOM 91 OD1 ASN A 36 86.171 -17.663 2.587 1.00 0.00 O ATOM 92 ND2 ASN A 36 84.805 -18.783 1.305 1.00 0.00 N ATOM 0 H ASN A 36 83.245 -15.444 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 36 83.986 -15.782 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.080 -16.777 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 36 86.278 -15.936 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 36 84.887 -19.607 1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 36 84.209 -18.809 0.477 1.00 0.00 H new ATOM 99 N ALA A 37 85.321 -13.675 0.153 1.00 0.00 N ATOM 100 CA ALA A 37 85.804 -12.275 0.055 1.00 0.00 C ATOM 101 C ALA A 37 84.926 -11.494 -0.921 1.00 0.00 C ATOM 102 O ALA A 37 84.377 -12.050 -1.846 1.00 0.00 O ATOM 103 CB ALA A 37 87.234 -12.381 -0.472 1.00 0.00 C ATOM 0 H ALA A 37 85.508 -14.253 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 37 85.767 -11.753 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.660 -11.383 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.836 -12.965 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.228 -12.872 -1.445 1.00 0.00 H new ATOM 109 N VAL A 38 84.788 -10.216 -0.712 1.00 0.00 N ATOM 110 CA VAL A 38 83.947 -9.371 -1.615 1.00 0.00 C ATOM 111 C VAL A 38 84.566 -7.971 -1.681 1.00 0.00 C ATOM 112 O VAL A 38 85.199 -7.547 -0.730 1.00 0.00 O ATOM 113 CB VAL A 38 82.563 -9.320 -0.950 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.178 -10.710 -0.434 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.586 -8.340 0.226 1.00 0.00 C ATOM 0 H VAL A 38 85.227 -9.710 0.057 1.00 0.00 H new ATOM 0 HA VAL A 38 83.880 -9.761 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 38 81.833 -8.990 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.196 -10.664 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.150 -11.412 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.915 -11.044 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.602 -8.309 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.325 -8.667 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.848 -7.345 -0.134 1.00 0.00 H new ATOM 125 N LYS A 39 84.427 -7.230 -2.761 1.00 0.00 N ATOM 126 CA LYS A 39 85.061 -5.885 -2.747 1.00 0.00 C ATOM 127 C LYS A 39 84.080 -4.862 -2.172 1.00 0.00 C ATOM 128 O LYS A 39 83.298 -4.265 -2.880 1.00 0.00 O ATOM 129 CB LYS A 39 85.341 -5.585 -4.207 1.00 0.00 C ATOM 130 CG LYS A 39 86.240 -4.353 -4.313 1.00 0.00 C ATOM 131 CD LYS A 39 87.439 -4.527 -3.378 1.00 0.00 C ATOM 132 CE LYS A 39 88.704 -4.007 -4.062 1.00 0.00 C ATOM 133 NZ LYS A 39 88.434 -2.565 -4.318 1.00 0.00 N ATOM 0 H LYS A 39 83.925 -7.489 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 39 85.964 -5.846 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.823 -6.441 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.406 -5.412 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 39 86.580 -4.223 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.682 -3.456 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.268 -3.986 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.560 -5.579 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.580 -4.139 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 39 88.900 -4.543 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.335 -2.052 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 87.900 -2.464 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 87.878 -2.171 -3.533 1.00 0.00 H new ATOM 147 N VAL A 40 84.106 -4.673 -0.878 1.00 0.00 N ATOM 148 CA VAL A 40 83.154 -3.714 -0.242 1.00 0.00 C ATOM 149 C VAL A 40 83.785 -2.338 -0.013 1.00 0.00 C ATOM 150 O VAL A 40 84.959 -2.211 0.269 1.00 0.00 O ATOM 151 CB VAL A 40 82.792 -4.356 1.101 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.920 -4.126 2.113 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.498 -3.734 1.630 1.00 0.00 C ATOM 0 H VAL A 40 84.745 -5.141 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 40 82.288 -3.541 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 40 82.653 -5.428 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.654 -4.586 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.841 -4.573 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.068 -3.056 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.239 -4.190 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.639 -2.662 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.693 -3.907 0.916 1.00 0.00 H new ATOM 163 N ARG A 41 82.985 -1.311 -0.103 1.00 0.00 N ATOM 164 CA ARG A 41 83.483 0.071 0.139 1.00 0.00 C ATOM 165 C ARG A 41 82.654 0.690 1.266 1.00 0.00 C ATOM 166 O ARG A 41 81.504 0.343 1.452 1.00 0.00 O ATOM 167 CB ARG A 41 83.262 0.816 -1.178 1.00 0.00 C ATOM 168 CG ARG A 41 84.431 0.533 -2.124 1.00 0.00 C ATOM 169 CD ARG A 41 84.521 -0.972 -2.394 1.00 0.00 C ATOM 170 NE ARG A 41 85.104 -1.082 -3.761 1.00 0.00 N ATOM 171 CZ ARG A 41 84.465 -0.588 -4.786 1.00 0.00 C ATOM 172 NH1 ARG A 41 83.341 -1.124 -5.174 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.953 0.440 -5.424 1.00 0.00 N ATOM 0 H ARG A 41 81.994 -1.373 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 41 84.532 0.108 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.325 0.499 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.180 1.887 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 41 84.293 1.073 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 41 85.362 0.890 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 41 85.150 -1.469 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 41 83.539 -1.442 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 41 86.003 -1.544 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 41 82.961 -1.929 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 41 82.842 -0.738 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 41 85.833 0.857 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 41 84.454 0.827 -6.225 1.00 0.00 H new ATOM 187 N HIS A 42 83.214 1.577 2.038 1.00 0.00 N ATOM 188 CA HIS A 42 82.424 2.161 3.159 1.00 0.00 C ATOM 189 C HIS A 42 82.284 3.680 3.036 1.00 0.00 C ATOM 190 O HIS A 42 83.251 4.413 3.069 1.00 0.00 O ATOM 191 CB HIS A 42 83.206 1.812 4.420 1.00 0.00 C ATOM 192 CG HIS A 42 83.190 0.324 4.635 1.00 0.00 C ATOM 193 ND1 HIS A 42 82.824 -0.244 5.845 1.00 0.00 N ATOM 194 CD2 HIS A 42 83.499 -0.729 3.807 1.00 0.00 C ATOM 195 CE1 HIS A 42 82.919 -1.579 5.713 1.00 0.00 C ATOM 196 NE2 HIS A 42 83.327 -1.928 4.491 1.00 0.00 N ATOM 0 H HIS A 42 84.170 1.920 1.945 1.00 0.00 H new ATOM 0 HA HIS A 42 81.409 1.764 3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 42 84.234 2.165 4.331 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.769 2.318 5.281 1.00 0.00 H new ATOM 0 HD1 HIS A 42 82.535 0.259 6.684 1.00 0.00 H new ATOM 0 HD2 HIS A 42 83.826 -0.639 2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 42 82.693 -2.283 6.500 1.00 0.00 H new ATOM 204 N ILE A 43 81.075 4.152 2.925 1.00 0.00 N ATOM 205 CA ILE A 43 80.844 5.623 2.832 1.00 0.00 C ATOM 206 C ILE A 43 79.780 6.056 3.855 1.00 0.00 C ATOM 207 O ILE A 43 78.601 5.830 3.670 1.00 0.00 O ATOM 208 CB ILE A 43 80.363 5.869 1.397 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.573 5.922 0.461 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.609 7.201 1.321 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.116 6.315 -0.945 1.00 0.00 C ATOM 0 H ILE A 43 80.231 3.580 2.894 1.00 0.00 H new ATOM 0 HA ILE A 43 81.743 6.198 3.052 1.00 0.00 H new ATOM 0 HB ILE A 43 79.697 5.060 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.302 6.643 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.069 4.952 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.270 7.369 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.748 7.170 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 43 80.272 8.012 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.978 6.352 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.403 5.578 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.640 7.295 -0.912 1.00 0.00 H new ATOM 223 N LEU A 44 80.194 6.680 4.931 1.00 0.00 N ATOM 224 CA LEU A 44 79.228 7.133 5.970 1.00 0.00 C ATOM 225 C LEU A 44 79.186 8.668 5.971 1.00 0.00 C ATOM 226 O LEU A 44 80.201 9.320 5.863 1.00 0.00 O ATOM 227 CB LEU A 44 79.821 6.567 7.279 1.00 0.00 C ATOM 228 CG LEU A 44 79.800 7.604 8.414 1.00 0.00 C ATOM 229 CD1 LEU A 44 78.410 7.636 9.049 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.828 7.223 9.480 1.00 0.00 C ATOM 0 H LEU A 44 81.171 6.895 5.132 1.00 0.00 H new ATOM 0 HA LEU A 44 78.202 6.797 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.256 5.686 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.847 6.243 7.102 1.00 0.00 H new ATOM 0 HG LEU A 44 80.043 8.586 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 44 78.394 8.371 9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.672 7.908 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 44 78.171 6.652 9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.810 7.960 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 44 80.586 6.240 9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.822 7.196 9.034 1.00 0.00 H new ATOM 242 N CYS A 45 78.034 9.253 6.100 1.00 0.00 N ATOM 243 CA CYS A 45 77.971 10.743 6.108 1.00 0.00 C ATOM 244 C CYS A 45 77.805 11.265 7.538 1.00 0.00 C ATOM 245 O CYS A 45 77.989 12.436 7.805 1.00 0.00 O ATOM 246 CB CYS A 45 76.752 11.089 5.258 1.00 0.00 C ATOM 247 SG CYS A 45 77.005 10.466 3.579 1.00 0.00 S ATOM 0 H CYS A 45 77.139 8.774 6.200 1.00 0.00 H new ATOM 0 HA CYS A 45 78.882 11.197 5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.854 10.648 5.691 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.600 12.168 5.240 1.00 0.00 H new ATOM 0 HG CYS A 45 78.144 9.842 3.515 1.00 0.00 H new ATOM 253 N GLU A 46 77.449 10.412 8.456 1.00 0.00 N ATOM 254 CA GLU A 46 77.257 10.857 9.870 1.00 0.00 C ATOM 255 C GLU A 46 76.021 11.751 9.955 1.00 0.00 C ATOM 256 O GLU A 46 75.092 11.483 10.690 1.00 0.00 O ATOM 257 CB GLU A 46 78.519 11.644 10.223 1.00 0.00 C ATOM 258 CG GLU A 46 78.755 11.577 11.735 1.00 0.00 C ATOM 259 CD GLU A 46 79.067 12.977 12.266 1.00 0.00 C ATOM 260 OE1 GLU A 46 80.099 13.513 11.896 1.00 0.00 O ATOM 261 OE2 GLU A 46 78.269 13.490 13.033 1.00 0.00 O ATOM 0 H GLU A 46 77.281 9.420 8.290 1.00 0.00 H new ATOM 0 HA GLU A 46 77.106 10.023 10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.377 11.233 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.414 12.682 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.873 11.176 12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 46 79.581 10.901 11.955 1.00 0.00 H new ATOM 268 N LYS A 47 76.001 12.803 9.189 1.00 0.00 N ATOM 269 CA LYS A 47 74.824 13.713 9.194 1.00 0.00 C ATOM 270 C LYS A 47 73.865 13.291 8.083 1.00 0.00 C ATOM 271 O LYS A 47 72.713 13.677 8.057 1.00 0.00 O ATOM 272 CB LYS A 47 75.394 15.105 8.915 1.00 0.00 C ATOM 273 CG LYS A 47 76.535 15.392 9.895 1.00 0.00 C ATOM 274 CD LYS A 47 76.959 16.855 9.770 1.00 0.00 C ATOM 275 CE LYS A 47 78.340 16.932 9.115 1.00 0.00 C ATOM 276 NZ LYS A 47 79.306 16.890 10.249 1.00 0.00 N ATOM 0 H LYS A 47 76.753 13.074 8.556 1.00 0.00 H new ATOM 0 HA LYS A 47 74.273 13.690 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.758 15.162 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.613 15.858 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.214 15.181 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.381 14.738 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.231 17.406 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.985 17.323 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.499 16.099 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.451 17.848 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.277 16.939 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.135 17.698 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.181 16.004 10.779 1.00 0.00 H new ATOM 290 N HIS A 48 74.340 12.488 7.165 1.00 0.00 N ATOM 291 CA HIS A 48 73.474 12.016 6.048 1.00 0.00 C ATOM 292 C HIS A 48 73.046 13.191 5.167 1.00 0.00 C ATOM 293 O HIS A 48 72.221 13.051 4.287 1.00 0.00 O ATOM 294 CB HIS A 48 72.272 11.366 6.732 1.00 0.00 C ATOM 295 CG HIS A 48 72.770 10.439 7.807 1.00 0.00 C ATOM 296 ND1 HIS A 48 74.097 10.038 7.878 1.00 0.00 N ATOM 297 CD2 HIS A 48 72.140 9.836 8.864 1.00 0.00 C ATOM 298 CE1 HIS A 48 74.221 9.230 8.946 1.00 0.00 C ATOM 299 NE2 HIS A 48 73.057 9.072 9.584 1.00 0.00 N ATOM 0 H HIS A 48 75.298 12.138 7.143 1.00 0.00 H new ATOM 0 HA HIS A 48 73.989 11.317 5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.624 12.130 7.162 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.676 10.815 6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.092 9.937 9.103 1.00 0.00 H new ATOM 0 HE1 HIS A 48 75.147 8.766 9.251 1.00 0.00 H new ATOM 0 HE2 HIS A 48 72.878 8.513 10.418 1.00 0.00 H new ATOM 307 N GLY A 49 73.615 14.346 5.383 1.00 0.00 N ATOM 308 CA GLY A 49 73.255 15.520 4.543 1.00 0.00 C ATOM 309 C GLY A 49 73.889 15.345 3.160 1.00 0.00 C ATOM 310 O GLY A 49 73.567 16.046 2.222 1.00 0.00 O ATOM 0 H GLY A 49 74.313 14.526 6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.172 15.604 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.609 16.440 5.008 1.00 0.00 H new ATOM 314 N LYS A 50 74.791 14.407 3.033 1.00 0.00 N ATOM 315 CA LYS A 50 75.454 14.167 1.719 1.00 0.00 C ATOM 316 C LYS A 50 75.250 12.719 1.291 1.00 0.00 C ATOM 317 O LYS A 50 75.501 12.360 0.158 1.00 0.00 O ATOM 318 CB LYS A 50 76.937 14.462 1.951 1.00 0.00 C ATOM 319 CG LYS A 50 77.375 13.894 3.303 1.00 0.00 C ATOM 320 CD LYS A 50 77.038 14.898 4.407 1.00 0.00 C ATOM 321 CE LYS A 50 78.315 15.288 5.151 1.00 0.00 C ATOM 322 NZ LYS A 50 78.644 14.100 5.989 1.00 0.00 N ATOM 0 H LYS A 50 75.098 13.794 3.788 1.00 0.00 H new ATOM 0 HA LYS A 50 75.043 14.794 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.534 14.023 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.111 15.538 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.872 12.946 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.446 13.691 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.570 15.784 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.319 14.463 5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.123 15.518 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.160 16.175 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.319 14.375 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 77.775 13.734 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 79.068 13.361 5.392 1.00 0.00 H new ATOM 336 N ILE A 51 74.782 11.881 2.173 1.00 0.00 N ATOM 337 CA ILE A 51 74.555 10.469 1.772 1.00 0.00 C ATOM 338 C ILE A 51 73.800 10.453 0.446 1.00 0.00 C ATOM 339 O ILE A 51 73.950 9.552 -0.354 1.00 0.00 O ATOM 340 CB ILE A 51 73.721 9.847 2.896 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.659 8.331 2.696 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.303 10.422 2.869 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.877 7.681 3.357 1.00 0.00 C ATOM 0 H ILE A 51 74.550 12.109 3.140 1.00 0.00 H new ATOM 0 HA ILE A 51 75.481 9.911 1.631 1.00 0.00 H new ATOM 0 HB ILE A 51 74.181 10.075 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.741 7.933 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.639 8.094 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.714 9.976 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.346 11.502 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.838 10.198 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.835 6.601 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.788 8.071 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.877 7.908 4.423 1.00 0.00 H new ATOM 355 N MET A 52 73.006 11.461 0.196 1.00 0.00 N ATOM 356 CA MET A 52 72.265 11.511 -1.092 1.00 0.00 C ATOM 357 C MET A 52 73.113 12.244 -2.121 1.00 0.00 C ATOM 358 O MET A 52 73.087 11.939 -3.297 1.00 0.00 O ATOM 359 CB MET A 52 70.929 12.249 -0.848 1.00 0.00 C ATOM 360 CG MET A 52 70.574 12.332 0.648 1.00 0.00 C ATOM 361 SD MET A 52 70.729 14.044 1.237 1.00 0.00 S ATOM 362 CE MET A 52 72.323 14.463 0.480 1.00 0.00 C ATOM 0 H MET A 52 72.841 12.246 0.826 1.00 0.00 H new ATOM 0 HA MET A 52 72.058 10.509 -1.469 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.992 13.256 -1.261 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.129 11.735 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.556 11.976 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.233 11.681 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 52 72.605 15.477 0.763 1.00 0.00 H new ATOM 0 HE2 MET A 52 73.085 13.765 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.239 14.399 -0.605 1.00 0.00 H new ATOM 372 N GLU A 53 73.915 13.163 -1.678 1.00 0.00 N ATOM 373 CA GLU A 53 74.816 13.857 -2.617 1.00 0.00 C ATOM 374 C GLU A 53 75.834 12.819 -3.033 1.00 0.00 C ATOM 375 O GLU A 53 76.339 12.813 -4.137 1.00 0.00 O ATOM 376 CB GLU A 53 75.461 14.995 -1.827 1.00 0.00 C ATOM 377 CG GLU A 53 75.200 16.317 -2.547 1.00 0.00 C ATOM 378 CD GLU A 53 75.405 17.478 -1.573 1.00 0.00 C ATOM 379 OE1 GLU A 53 75.162 17.286 -0.394 1.00 0.00 O ATOM 380 OE2 GLU A 53 75.804 18.539 -2.023 1.00 0.00 O ATOM 0 H GLU A 53 73.983 13.461 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 53 74.329 14.271 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.052 15.030 -0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.533 14.825 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.874 16.419 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.184 16.334 -2.941 1.00 0.00 H new ATOM 387 N ALA A 54 76.090 11.897 -2.141 1.00 0.00 N ATOM 388 CA ALA A 54 77.028 10.796 -2.467 1.00 0.00 C ATOM 389 C ALA A 54 76.312 9.882 -3.452 1.00 0.00 C ATOM 390 O ALA A 54 76.902 9.319 -4.352 1.00 0.00 O ATOM 391 CB ALA A 54 77.296 10.078 -1.144 1.00 0.00 C ATOM 0 H ALA A 54 75.688 11.864 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 54 77.967 11.127 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.984 9.250 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.737 10.777 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.358 9.694 -0.742 1.00 0.00 H new ATOM 397 N MET A 55 75.018 9.771 -3.297 1.00 0.00 N ATOM 398 CA MET A 55 74.221 8.936 -4.234 1.00 0.00 C ATOM 399 C MET A 55 74.140 9.656 -5.581 1.00 0.00 C ATOM 400 O MET A 55 74.293 9.063 -6.632 1.00 0.00 O ATOM 401 CB MET A 55 72.830 8.840 -3.602 1.00 0.00 C ATOM 402 CG MET A 55 72.907 8.047 -2.296 1.00 0.00 C ATOM 403 SD MET A 55 71.995 6.494 -2.480 1.00 0.00 S ATOM 404 CE MET A 55 71.283 6.452 -0.816 1.00 0.00 C ATOM 0 H MET A 55 74.481 10.225 -2.559 1.00 0.00 H new ATOM 0 HA MET A 55 74.654 7.949 -4.399 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.439 9.839 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.140 8.355 -4.292 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.947 7.843 -2.043 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.489 8.632 -1.477 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.772 5.501 -0.663 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.077 6.561 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.570 7.269 -0.705 1.00 0.00 H new ATOM 414 N GLU A 56 73.909 10.942 -5.548 1.00 0.00 N ATOM 415 CA GLU A 56 73.823 11.727 -6.812 1.00 0.00 C ATOM 416 C GLU A 56 75.226 11.966 -7.373 1.00 0.00 C ATOM 417 O GLU A 56 75.540 11.548 -8.470 1.00 0.00 O ATOM 418 CB GLU A 56 73.169 13.050 -6.415 1.00 0.00 C ATOM 419 CG GLU A 56 71.675 12.826 -6.170 1.00 0.00 C ATOM 420 CD GLU A 56 70.905 13.060 -7.471 1.00 0.00 C ATOM 421 OE1 GLU A 56 70.961 12.199 -8.333 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.275 14.099 -7.584 1.00 0.00 O ATOM 0 H GLU A 56 73.776 11.484 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 56 73.253 11.211 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.641 13.446 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.313 13.790 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.503 11.812 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.317 13.504 -5.396 1.00 0.00 H new ATOM 429 N LYS A 57 76.078 12.628 -6.628 1.00 0.00 N ATOM 430 CA LYS A 57 77.463 12.877 -7.128 1.00 0.00 C ATOM 431 C LYS A 57 77.993 11.605 -7.785 1.00 0.00 C ATOM 432 O LYS A 57 78.217 11.557 -8.979 1.00 0.00 O ATOM 433 CB LYS A 57 78.290 13.219 -5.888 1.00 0.00 C ATOM 434 CG LYS A 57 77.855 14.579 -5.341 1.00 0.00 C ATOM 435 CD LYS A 57 78.634 15.689 -6.051 1.00 0.00 C ATOM 436 CE LYS A 57 79.889 16.032 -5.244 1.00 0.00 C ATOM 437 NZ LYS A 57 80.000 17.515 -5.326 1.00 0.00 N ATOM 0 H LYS A 57 75.875 13.004 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 57 77.504 13.678 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.158 12.450 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.350 13.239 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.784 14.718 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.034 14.625 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.911 15.368 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.007 16.574 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.798 15.699 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.772 15.546 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.986 17.799 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.705 17.833 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.386 17.949 -4.607 1.00 0.00 H new ATOM 451 N LEU A 58 78.174 10.568 -7.016 1.00 0.00 N ATOM 452 CA LEU A 58 78.661 9.290 -7.595 1.00 0.00 C ATOM 453 C LEU A 58 77.923 9.015 -8.909 1.00 0.00 C ATOM 454 O LEU A 58 78.498 8.560 -9.877 1.00 0.00 O ATOM 455 CB LEU A 58 78.310 8.231 -6.548 1.00 0.00 C ATOM 456 CG LEU A 58 79.181 8.424 -5.305 1.00 0.00 C ATOM 457 CD1 LEU A 58 78.836 7.355 -4.266 1.00 0.00 C ATOM 458 CD2 LEU A 58 80.652 8.300 -5.693 1.00 0.00 C ATOM 0 H LEU A 58 78.005 10.552 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 58 79.728 9.301 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.256 8.306 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.464 7.234 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 58 78.997 9.412 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 58 79.457 7.494 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.785 7.442 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.019 6.366 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 81.274 8.437 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 58 80.835 7.312 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 58 80.899 9.062 -6.432 1.00 0.00 H new ATOM 470 N LYS A 59 76.647 9.300 -8.943 1.00 0.00 N ATOM 471 CA LYS A 59 75.852 9.072 -10.186 1.00 0.00 C ATOM 472 C LYS A 59 76.155 10.156 -11.220 1.00 0.00 C ATOM 473 O LYS A 59 76.774 9.901 -12.234 1.00 0.00 O ATOM 474 CB LYS A 59 74.394 9.167 -9.741 1.00 0.00 C ATOM 475 CG LYS A 59 73.791 7.768 -9.699 1.00 0.00 C ATOM 476 CD LYS A 59 72.750 7.626 -10.812 1.00 0.00 C ATOM 477 CE LYS A 59 71.532 8.494 -10.490 1.00 0.00 C ATOM 478 NZ LYS A 59 70.988 7.934 -9.220 1.00 0.00 N ATOM 0 H LYS A 59 76.119 9.683 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 59 76.084 8.113 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.331 9.633 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.832 9.798 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.574 7.019 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.328 7.589 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 59 73.181 7.926 -11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.450 6.583 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.813 9.541 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 70.793 8.450 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.949 7.911 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.349 6.968 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.285 8.531 -8.422 1.00 0.00 H new ATOM 492 N SER A 60 75.712 11.361 -10.968 1.00 0.00 N ATOM 493 CA SER A 60 75.961 12.479 -11.929 1.00 0.00 C ATOM 494 C SER A 60 77.355 12.347 -12.545 1.00 0.00 C ATOM 495 O SER A 60 77.591 12.755 -13.666 1.00 0.00 O ATOM 496 CB SER A 60 75.867 13.756 -11.093 1.00 0.00 C ATOM 497 OG SER A 60 75.342 13.448 -9.810 1.00 0.00 O ATOM 0 H SER A 60 75.186 11.620 -10.134 1.00 0.00 H new ATOM 0 HA SER A 60 75.246 12.478 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.852 14.211 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.228 14.484 -11.593 1.00 0.00 H new ATOM 0 HG SER A 60 76.013 12.957 -9.291 1.00 0.00 H new ATOM 503 N GLY A 61 78.278 11.773 -11.824 1.00 0.00 N ATOM 504 CA GLY A 61 79.651 11.608 -12.370 1.00 0.00 C ATOM 505 C GLY A 61 80.600 12.593 -11.689 1.00 0.00 C ATOM 506 O GLY A 61 81.503 13.120 -12.306 1.00 0.00 O ATOM 0 H GLY A 61 78.139 11.412 -10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.996 10.586 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.647 11.778 -13.447 1.00 0.00 H new ATOM 510 N MET A 62 80.413 12.845 -10.420 1.00 0.00 N ATOM 511 CA MET A 62 81.322 13.791 -9.722 1.00 0.00 C ATOM 512 C MET A 62 82.489 13.019 -9.111 1.00 0.00 C ATOM 513 O MET A 62 82.969 12.053 -9.673 1.00 0.00 O ATOM 514 CB MET A 62 80.467 14.441 -8.632 1.00 0.00 C ATOM 515 CG MET A 62 80.742 15.947 -8.600 1.00 0.00 C ATOM 516 SD MET A 62 79.749 16.773 -9.869 1.00 0.00 S ATOM 517 CE MET A 62 78.130 16.515 -9.104 1.00 0.00 C ATOM 0 H MET A 62 79.676 12.439 -9.844 1.00 0.00 H new ATOM 0 HA MET A 62 81.745 14.539 -10.392 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.410 14.257 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.695 13.998 -7.663 1.00 0.00 H new ATOM 0 HG2 MET A 62 80.501 16.350 -7.616 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.801 16.137 -8.772 1.00 0.00 H new ATOM 0 HE1 MET A 62 77.349 16.875 -9.774 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.983 15.452 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A 62 78.081 17.062 -8.163 1.00 0.00 H new ATOM 527 N ARG A 63 82.950 13.432 -7.971 1.00 0.00 N ATOM 528 CA ARG A 63 84.086 12.720 -7.330 1.00 0.00 C ATOM 529 C ARG A 63 83.601 11.488 -6.579 1.00 0.00 C ATOM 530 O ARG A 63 82.631 11.541 -5.848 1.00 0.00 O ATOM 531 CB ARG A 63 84.643 13.699 -6.314 1.00 0.00 C ATOM 532 CG ARG A 63 85.256 14.903 -7.011 1.00 0.00 C ATOM 533 CD ARG A 63 84.833 16.166 -6.255 1.00 0.00 C ATOM 534 NE ARG A 63 85.995 17.092 -6.372 1.00 0.00 N ATOM 535 CZ ARG A 63 85.807 18.383 -6.327 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.694 18.864 -5.844 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.733 19.191 -6.763 1.00 0.00 N ATOM 0 H ARG A 63 82.590 14.233 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 63 84.814 12.399 -8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.849 14.026 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.396 13.205 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.343 14.818 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.922 14.952 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.934 16.604 -6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.608 15.945 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 63 86.937 16.717 -6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.971 18.231 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.547 19.873 -5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.603 18.814 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.587 20.200 -6.728 1.00 0.00 H new ATOM 551 N PHE A 64 84.290 10.393 -6.701 1.00 0.00 N ATOM 552 CA PHE A 64 83.881 9.199 -5.938 1.00 0.00 C ATOM 553 C PHE A 64 84.604 9.224 -4.596 1.00 0.00 C ATOM 554 O PHE A 64 84.047 8.887 -3.571 1.00 0.00 O ATOM 555 CB PHE A 64 84.329 8.000 -6.777 1.00 0.00 C ATOM 556 CG PHE A 64 83.405 6.831 -6.517 1.00 0.00 C ATOM 557 CD1 PHE A 64 83.086 6.467 -5.203 1.00 0.00 C ATOM 558 CD2 PHE A 64 82.867 6.112 -7.592 1.00 0.00 C ATOM 559 CE1 PHE A 64 82.231 5.384 -4.964 1.00 0.00 C ATOM 560 CE2 PHE A 64 82.012 5.030 -7.352 1.00 0.00 C ATOM 561 CZ PHE A 64 81.695 4.666 -6.038 1.00 0.00 C ATOM 0 H PHE A 64 85.113 10.278 -7.293 1.00 0.00 H new ATOM 0 HA PHE A 64 82.809 9.155 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 64 84.317 8.258 -7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.355 7.730 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 64 83.499 7.022 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.112 6.392 -8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 64 81.985 5.103 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 64 81.597 4.476 -8.181 1.00 0.00 H new ATOM 0 HZ PHE A 64 81.036 3.830 -5.853 1.00 0.00 H new ATOM 571 N ASN A 65 85.848 9.639 -4.601 1.00 0.00 N ATOM 572 CA ASN A 65 86.623 9.689 -3.330 1.00 0.00 C ATOM 573 C ASN A 65 86.479 11.048 -2.632 1.00 0.00 C ATOM 574 O ASN A 65 86.403 11.114 -1.424 1.00 0.00 O ATOM 575 CB ASN A 65 88.073 9.423 -3.727 1.00 0.00 C ATOM 576 CG ASN A 65 88.593 10.572 -4.590 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.663 11.701 -4.147 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.965 10.328 -5.816 1.00 0.00 N ATOM 0 H ASN A 65 86.356 9.944 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 65 86.258 8.952 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.690 9.318 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.143 8.484 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 65 89.315 11.085 -6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.906 9.380 -6.188 1.00 0.00 H new ATOM 585 N GLU A 66 86.417 12.138 -3.353 1.00 0.00 N ATOM 586 CA GLU A 66 86.249 13.438 -2.641 1.00 0.00 C ATOM 587 C GLU A 66 85.002 13.305 -1.789 1.00 0.00 C ATOM 588 O GLU A 66 85.038 13.440 -0.576 1.00 0.00 O ATOM 589 CB GLU A 66 86.071 14.511 -3.712 1.00 0.00 C ATOM 590 CG GLU A 66 87.228 14.441 -4.712 1.00 0.00 C ATOM 591 CD GLU A 66 88.558 14.496 -3.960 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.561 14.967 -2.834 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.552 14.067 -4.522 1.00 0.00 O ATOM 0 H GLU A 66 86.473 12.186 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 66 87.097 13.701 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.122 14.368 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.037 15.497 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.165 13.521 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.163 15.269 -5.418 1.00 0.00 H new ATOM 600 N VAL A 67 83.900 12.968 -2.406 1.00 0.00 N ATOM 601 CA VAL A 67 82.675 12.747 -1.617 1.00 0.00 C ATOM 602 C VAL A 67 83.052 11.780 -0.507 1.00 0.00 C ATOM 603 O VAL A 67 82.783 11.995 0.653 1.00 0.00 O ATOM 604 CB VAL A 67 81.669 12.085 -2.563 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.205 13.083 -3.612 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.299 10.883 -3.253 1.00 0.00 C ATOM 0 H VAL A 67 83.805 12.840 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 67 82.255 13.661 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 67 80.814 11.751 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.490 12.603 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.729 13.932 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.063 13.431 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.571 10.424 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.166 11.207 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.612 10.156 -2.504 1.00 0.00 H new ATOM 616 N ALA A 68 83.721 10.720 -0.875 1.00 0.00 N ATOM 617 CA ALA A 68 84.150 9.726 0.132 1.00 0.00 C ATOM 618 C ALA A 68 84.863 10.443 1.267 1.00 0.00 C ATOM 619 O ALA A 68 84.613 10.183 2.424 1.00 0.00 O ATOM 620 CB ALA A 68 85.106 8.778 -0.589 1.00 0.00 C ATOM 0 H ALA A 68 83.987 10.505 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 68 83.308 9.179 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.458 8.017 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.586 8.298 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.957 9.341 -0.972 1.00 0.00 H new ATOM 626 N ALA A 69 85.735 11.365 0.947 1.00 0.00 N ATOM 627 CA ALA A 69 86.437 12.113 2.025 1.00 0.00 C ATOM 628 C ALA A 69 85.428 12.421 3.123 1.00 0.00 C ATOM 629 O ALA A 69 85.518 11.913 4.223 1.00 0.00 O ATOM 630 CB ALA A 69 86.941 13.399 1.368 1.00 0.00 C ATOM 0 H ALA A 69 85.987 11.628 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 69 87.263 11.558 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.470 14.002 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.618 13.149 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.095 13.964 0.978 1.00 0.00 H new ATOM 636 N GLN A 70 84.443 13.221 2.826 1.00 0.00 N ATOM 637 CA GLN A 70 83.423 13.510 3.848 1.00 0.00 C ATOM 638 C GLN A 70 82.261 12.530 3.773 1.00 0.00 C ATOM 639 O GLN A 70 81.975 11.804 4.703 1.00 0.00 O ATOM 640 CB GLN A 70 82.917 14.900 3.555 1.00 0.00 C ATOM 641 CG GLN A 70 83.043 15.687 4.839 1.00 0.00 C ATOM 642 CD GLN A 70 81.947 15.236 5.827 1.00 0.00 C ATOM 643 OE1 GLN A 70 81.117 16.033 6.219 1.00 0.00 O ATOM 644 NE2 GLN A 70 81.896 13.986 6.254 1.00 0.00 N ATOM 0 H GLN A 70 84.308 13.680 1.925 1.00 0.00 H new ATOM 0 HA GLN A 70 83.855 13.423 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 70 83.498 15.364 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.881 14.872 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 70 84.029 15.533 5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 70 82.948 16.754 4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.587 13.308 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.166 13.699 6.906 1.00 0.00 H new ATOM 653 N TYR A 71 81.565 12.549 2.674 1.00 0.00 N ATOM 654 CA TYR A 71 80.381 11.667 2.515 1.00 0.00 C ATOM 655 C TYR A 71 80.681 10.286 3.102 1.00 0.00 C ATOM 656 O TYR A 71 79.798 9.617 3.602 1.00 0.00 O ATOM 657 CB TYR A 71 80.091 11.625 1.006 1.00 0.00 C ATOM 658 CG TYR A 71 79.754 13.024 0.496 1.00 0.00 C ATOM 659 CD1 TYR A 71 79.841 14.152 1.339 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.347 13.193 -0.834 1.00 0.00 C ATOM 661 CE1 TYR A 71 79.525 15.423 0.846 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.030 14.467 -1.322 1.00 0.00 C ATOM 663 CZ TYR A 71 79.119 15.580 -0.483 1.00 0.00 C ATOM 664 OH TYR A 71 78.807 16.834 -0.965 1.00 0.00 O ATOM 0 H TYR A 71 81.769 13.144 1.871 1.00 0.00 H new ATOM 0 HA TYR A 71 79.504 12.033 3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 71 80.957 11.234 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.261 10.947 0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 71 80.152 14.034 2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.277 12.336 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 71 79.595 16.285 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.716 14.589 -2.348 1.00 0.00 H new ATOM 0 HH TYR A 71 78.545 16.767 -1.907 1.00 0.00 H new ATOM 674 N SER A 72 81.918 9.859 3.082 1.00 0.00 N ATOM 675 CA SER A 72 82.240 8.529 3.692 1.00 0.00 C ATOM 676 C SER A 72 82.579 8.709 5.176 1.00 0.00 C ATOM 677 O SER A 72 82.470 9.786 5.725 1.00 0.00 O ATOM 678 CB SER A 72 83.463 7.989 2.949 1.00 0.00 C ATOM 679 OG SER A 72 84.633 8.261 3.707 1.00 0.00 O ATOM 0 H SER A 72 82.708 10.362 2.678 1.00 0.00 H new ATOM 0 HA SER A 72 81.395 7.845 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.361 6.916 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.538 8.452 1.965 1.00 0.00 H new ATOM 0 HG SER A 72 85.080 7.418 3.932 1.00 0.00 H new ATOM 685 N GLU A 73 83.010 7.664 5.824 1.00 0.00 N ATOM 686 CA GLU A 73 83.377 7.778 7.265 1.00 0.00 C ATOM 687 C GLU A 73 84.775 8.372 7.370 1.00 0.00 C ATOM 688 O GLU A 73 85.690 7.746 7.859 1.00 0.00 O ATOM 689 CB GLU A 73 83.343 6.357 7.854 1.00 0.00 C ATOM 690 CG GLU A 73 83.884 5.328 6.854 1.00 0.00 C ATOM 691 CD GLU A 73 85.139 5.875 6.175 1.00 0.00 C ATOM 692 OE1 GLU A 73 86.206 5.727 6.746 1.00 0.00 O ATOM 693 OE2 GLU A 73 85.012 6.430 5.097 1.00 0.00 O ATOM 0 H GLU A 73 83.125 6.735 5.419 1.00 0.00 H new ATOM 0 HA GLU A 73 82.689 8.424 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 73 83.935 6.325 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.320 6.099 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 73 84.115 4.395 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 83.125 5.100 6.106 1.00 0.00 H new ATOM 700 N ASP A 74 84.934 9.573 6.885 1.00 0.00 N ATOM 701 CA ASP A 74 86.270 10.244 6.917 1.00 0.00 C ATOM 702 C ASP A 74 87.218 9.567 5.923 1.00 0.00 C ATOM 703 O ASP A 74 87.642 10.166 4.955 1.00 0.00 O ATOM 704 CB ASP A 74 86.777 10.100 8.355 1.00 0.00 C ATOM 705 CG ASP A 74 88.044 10.938 8.532 1.00 0.00 C ATOM 706 OD1 ASP A 74 87.916 12.110 8.845 1.00 0.00 O ATOM 707 OD2 ASP A 74 89.120 10.394 8.350 1.00 0.00 O ATOM 0 H ASP A 74 84.188 10.126 6.463 1.00 0.00 H new ATOM 0 HA ASP A 74 86.210 11.294 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 74 86.010 10.427 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 74 86.986 9.053 8.576 1.00 0.00 H new ATOM 712 N LYS A 75 87.544 8.321 6.138 1.00 0.00 N ATOM 713 CA LYS A 75 88.449 7.619 5.182 1.00 0.00 C ATOM 714 C LYS A 75 87.841 7.685 3.776 1.00 0.00 C ATOM 715 O LYS A 75 86.727 7.258 3.556 1.00 0.00 O ATOM 716 CB LYS A 75 88.510 6.175 5.685 1.00 0.00 C ATOM 717 CG LYS A 75 89.927 5.625 5.512 1.00 0.00 C ATOM 718 CD LYS A 75 90.297 5.623 4.029 1.00 0.00 C ATOM 719 CE LYS A 75 91.165 4.400 3.723 1.00 0.00 C ATOM 720 NZ LYS A 75 90.317 3.531 2.860 1.00 0.00 N ATOM 0 H LYS A 75 87.225 7.761 6.929 1.00 0.00 H new ATOM 0 HA LYS A 75 89.443 8.063 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 75 88.220 6.133 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.801 5.558 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 90.636 6.234 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 75 89.987 4.614 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 89.395 5.604 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.835 6.537 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 75 92.084 4.686 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 75 91.456 3.884 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 90.178 2.611 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 89.394 3.986 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 90.786 3.388 1.943 1.00 0.00 H new ATOM 734 N ALA A 76 88.550 8.236 2.827 1.00 0.00 N ATOM 735 CA ALA A 76 87.983 8.342 1.450 1.00 0.00 C ATOM 736 C ALA A 76 88.451 7.183 0.564 1.00 0.00 C ATOM 737 O ALA A 76 87.829 6.141 0.517 1.00 0.00 O ATOM 738 CB ALA A 76 88.497 9.675 0.907 1.00 0.00 C ATOM 0 H ALA A 76 89.490 8.615 2.943 1.00 0.00 H new ATOM 0 HA ALA A 76 86.894 8.294 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.121 9.825 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.150 10.487 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.587 9.666 0.892 1.00 0.00 H new ATOM 744 N ARG A 77 89.525 7.358 -0.160 1.00 0.00 N ATOM 745 CA ARG A 77 89.996 6.261 -1.056 1.00 0.00 C ATOM 746 C ARG A 77 88.814 5.763 -1.891 1.00 0.00 C ATOM 747 O ARG A 77 88.087 4.883 -1.481 1.00 0.00 O ATOM 748 CB ARG A 77 90.499 5.164 -0.118 1.00 0.00 C ATOM 749 CG ARG A 77 91.927 5.488 0.325 1.00 0.00 C ATOM 750 CD ARG A 77 92.920 4.739 -0.565 1.00 0.00 C ATOM 751 NE ARG A 77 93.798 5.800 -1.133 1.00 0.00 N ATOM 752 CZ ARG A 77 94.540 5.544 -2.175 1.00 0.00 C ATOM 753 NH1 ARG A 77 94.049 4.865 -3.176 1.00 0.00 N ATOM 754 NH2 ARG A 77 95.773 5.967 -2.216 1.00 0.00 N ATOM 0 H ARG A 77 90.092 8.206 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 77 90.778 6.579 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 77 89.846 5.086 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 77 90.474 4.199 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 77 92.104 6.562 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 77 92.069 5.202 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 77 93.497 4.014 0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 77 92.407 4.187 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 77 93.819 6.727 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 77 93.085 4.534 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 77 94.630 4.665 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 77 96.156 6.498 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 77 96.354 5.767 -3.030 1.00 0.00 H new ATOM 768 N GLN A 78 88.604 6.347 -3.044 1.00 0.00 N ATOM 769 CA GLN A 78 87.448 5.944 -3.903 1.00 0.00 C ATOM 770 C GLN A 78 86.145 6.172 -3.142 1.00 0.00 C ATOM 771 O GLN A 78 85.429 7.113 -3.389 1.00 0.00 O ATOM 772 CB GLN A 78 87.625 4.454 -4.203 1.00 0.00 C ATOM 773 CG GLN A 78 86.289 3.879 -4.702 1.00 0.00 C ATOM 774 CD GLN A 78 85.652 3.035 -3.592 1.00 0.00 C ATOM 775 OE1 GLN A 78 86.237 2.072 -3.137 1.00 0.00 O ATOM 776 NE2 GLN A 78 84.468 3.356 -3.135 1.00 0.00 N ATOM 0 H GLN A 78 89.187 7.090 -3.430 1.00 0.00 H new ATOM 0 HA GLN A 78 87.411 6.526 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 78 88.400 4.312 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 78 87.950 3.926 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 78 85.617 4.688 -4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 78 86.452 3.268 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.976 4.164 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 78 84.037 2.798 -2.398 1.00 0.00 H new ATOM 785 N GLY A 79 85.844 5.314 -2.212 1.00 0.00 N ATOM 786 CA GLY A 79 84.598 5.470 -1.421 1.00 0.00 C ATOM 787 C GLY A 79 84.681 4.553 -0.203 1.00 0.00 C ATOM 788 O GLY A 79 83.769 3.809 0.096 1.00 0.00 O ATOM 0 H GLY A 79 86.413 4.505 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 79 84.475 6.507 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 83.729 5.216 -2.028 1.00 0.00 H new ATOM 792 N GLY A 80 85.782 4.591 0.492 1.00 0.00 N ATOM 793 CA GLY A 80 85.942 3.712 1.681 1.00 0.00 C ATOM 794 C GLY A 80 86.324 2.310 1.211 1.00 0.00 C ATOM 795 O GLY A 80 85.828 1.320 1.710 1.00 0.00 O ATOM 0 H GLY A 80 86.579 5.194 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 80 86.711 4.110 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 80 85.015 3.678 2.253 1.00 0.00 H new ATOM 799 N ASP A 81 87.199 2.217 0.247 1.00 0.00 N ATOM 800 CA ASP A 81 87.607 0.876 -0.254 1.00 0.00 C ATOM 801 C ASP A 81 88.549 0.203 0.746 1.00 0.00 C ATOM 802 O ASP A 81 89.748 0.174 0.555 1.00 0.00 O ATOM 803 CB ASP A 81 88.331 1.149 -1.571 1.00 0.00 C ATOM 804 CG ASP A 81 87.938 0.082 -2.595 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.280 -0.869 -2.207 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.305 0.232 -3.748 1.00 0.00 O ATOM 0 H ASP A 81 87.647 3.009 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 81 86.756 0.208 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 81 88.071 2.140 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.410 1.140 -1.415 1.00 0.00 H new ATOM 811 N LEU A 82 88.021 -0.345 1.808 1.00 0.00 N ATOM 812 CA LEU A 82 88.896 -1.019 2.802 1.00 0.00 C ATOM 813 C LEU A 82 89.701 -2.120 2.112 1.00 0.00 C ATOM 814 O LEU A 82 90.688 -2.604 2.630 1.00 0.00 O ATOM 815 CB LEU A 82 87.933 -1.625 3.823 1.00 0.00 C ATOM 816 CG LEU A 82 87.406 -0.537 4.764 1.00 0.00 C ATOM 817 CD1 LEU A 82 88.575 0.294 5.301 1.00 0.00 C ATOM 818 CD2 LEU A 82 86.428 0.373 4.023 1.00 0.00 C ATOM 0 H LEU A 82 87.025 -0.354 2.027 1.00 0.00 H new ATOM 0 HA LEU A 82 89.608 -0.337 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 82 87.101 -2.105 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 82 88.441 -2.399 4.398 1.00 0.00 H new ATOM 0 HG LEU A 82 86.887 -1.013 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 82 88.195 1.067 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 82 89.261 -0.353 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 82 89.102 0.761 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 82 86.060 1.142 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.936 0.845 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 82 85.589 -0.217 3.655 1.00 0.00 H new ATOM 830 N GLY A 83 89.279 -2.520 0.944 1.00 0.00 N ATOM 831 CA GLY A 83 90.006 -3.592 0.213 1.00 0.00 C ATOM 832 C GLY A 83 89.249 -4.911 0.379 1.00 0.00 C ATOM 833 O GLY A 83 88.278 -4.989 1.104 1.00 0.00 O ATOM 0 H GLY A 83 88.459 -2.148 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.090 -3.337 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.021 -3.689 0.599 1.00 0.00 H new ATOM 837 N TRP A 84 89.688 -5.945 -0.283 1.00 0.00 N ATOM 838 CA TRP A 84 88.998 -7.261 -0.160 1.00 0.00 C ATOM 839 C TRP A 84 88.623 -7.513 1.304 1.00 0.00 C ATOM 840 O TRP A 84 89.316 -7.088 2.207 1.00 0.00 O ATOM 841 CB TRP A 84 90.034 -8.274 -0.644 1.00 0.00 C ATOM 842 CG TRP A 84 89.871 -8.478 -2.109 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.706 -7.998 -3.047 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.829 -9.205 -2.815 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.242 -8.373 -4.296 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.086 -9.124 -4.204 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.698 -9.918 -2.389 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.246 -9.730 -5.139 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.852 -10.529 -3.324 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.123 -10.436 -4.698 1.00 0.00 C ATOM 0 H TRP A 84 90.496 -5.936 -0.905 1.00 0.00 H new ATOM 0 HA TRP A 84 88.073 -7.318 -0.734 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.040 -7.917 -0.424 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.909 -9.220 -0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.595 -7.414 -2.857 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.697 -8.126 -5.175 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.478 -9.996 -1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.462 -9.654 -6.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.985 -11.076 -2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.466 -10.909 -5.413 1.00 0.00 H new ATOM 861 N MET A 85 87.530 -8.185 1.556 1.00 0.00 N ATOM 862 CA MET A 85 87.139 -8.428 2.977 1.00 0.00 C ATOM 863 C MET A 85 86.532 -9.819 3.148 1.00 0.00 C ATOM 864 O MET A 85 85.698 -10.245 2.377 1.00 0.00 O ATOM 865 CB MET A 85 86.101 -7.355 3.294 1.00 0.00 C ATOM 866 CG MET A 85 86.366 -6.784 4.689 1.00 0.00 C ATOM 867 SD MET A 85 87.690 -5.554 4.599 1.00 0.00 S ATOM 868 CE MET A 85 87.160 -4.548 6.008 1.00 0.00 C ATOM 0 H MET A 85 86.900 -8.571 0.853 1.00 0.00 H new ATOM 0 HA MET A 85 88.000 -8.380 3.644 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.145 -6.560 2.550 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.098 -7.779 3.248 1.00 0.00 H new ATOM 0 HG2 MET A 85 85.459 -6.328 5.085 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.645 -7.585 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 85 87.905 -3.777 6.205 1.00 0.00 H new ATOM 0 HE2 MET A 85 86.203 -4.078 5.780 1.00 0.00 H new ATOM 0 HE3 MET A 85 87.052 -5.182 6.888 1.00 0.00 H new ATOM 878 N THR A 86 86.940 -10.521 4.166 1.00 0.00 N ATOM 879 CA THR A 86 86.391 -11.885 4.409 1.00 0.00 C ATOM 880 C THR A 86 85.690 -11.931 5.770 1.00 0.00 C ATOM 881 O THR A 86 86.057 -11.228 6.691 1.00 0.00 O ATOM 882 CB THR A 86 87.610 -12.806 4.400 1.00 0.00 C ATOM 883 OG1 THR A 86 88.746 -12.089 4.864 1.00 0.00 O ATOM 884 CG2 THR A 86 87.866 -13.304 2.976 1.00 0.00 C ATOM 0 H THR A 86 87.634 -10.208 4.845 1.00 0.00 H new ATOM 0 HA THR A 86 85.655 -12.179 3.661 1.00 0.00 H new ATOM 0 HB THR A 86 87.426 -13.659 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 86 89.529 -12.679 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.736 -13.961 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.994 -13.853 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 86 88.050 -12.453 2.321 1.00 0.00 H new ATOM 892 N ARG A 87 84.683 -12.750 5.906 1.00 0.00 N ATOM 893 CA ARG A 87 83.963 -12.834 7.210 1.00 0.00 C ATOM 894 C ARG A 87 84.936 -13.214 8.330 1.00 0.00 C ATOM 895 O ARG A 87 85.973 -13.802 8.090 1.00 0.00 O ATOM 896 CB ARG A 87 82.914 -13.930 7.017 1.00 0.00 C ATOM 897 CG ARG A 87 81.519 -13.347 7.254 1.00 0.00 C ATOM 898 CD ARG A 87 80.773 -14.205 8.277 1.00 0.00 C ATOM 899 NE ARG A 87 80.416 -15.451 7.542 1.00 0.00 N ATOM 900 CZ ARG A 87 81.028 -16.570 7.819 1.00 0.00 C ATOM 901 NH1 ARG A 87 81.132 -16.967 9.057 1.00 0.00 N ATOM 902 NH2 ARG A 87 81.533 -17.292 6.856 1.00 0.00 N ATOM 0 H ARG A 87 84.328 -13.364 5.173 1.00 0.00 H new ATOM 0 HA ARG A 87 83.511 -11.883 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.982 -14.340 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 87 83.099 -14.752 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 87 81.599 -12.321 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.963 -13.314 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 87 81.399 -14.422 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 87 79.883 -13.695 8.647 1.00 0.00 H new ATOM 0 HE ARG A 87 79.693 -15.429 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 87 80.735 -16.403 9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 87 81.610 -17.841 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 87 81.449 -16.982 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 87 82.011 -18.167 7.071 1.00 0.00 H new ATOM 916 N GLY A 88 84.610 -12.885 9.550 1.00 0.00 N ATOM 917 CA GLY A 88 85.516 -13.230 10.682 1.00 0.00 C ATOM 918 C GLY A 88 86.252 -11.973 11.149 1.00 0.00 C ATOM 919 O GLY A 88 86.725 -11.897 12.266 1.00 0.00 O ATOM 0 H GLY A 88 83.756 -12.393 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.941 -13.654 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.233 -13.989 10.369 1.00 0.00 H new ATOM 923 N SER A 89 86.354 -10.983 10.304 1.00 0.00 N ATOM 924 CA SER A 89 87.061 -9.731 10.704 1.00 0.00 C ATOM 925 C SER A 89 86.189 -8.509 10.405 1.00 0.00 C ATOM 926 O SER A 89 86.627 -7.382 10.509 1.00 0.00 O ATOM 927 CB SER A 89 88.331 -9.704 9.851 1.00 0.00 C ATOM 928 OG SER A 89 89.370 -9.059 10.573 1.00 0.00 O ATOM 0 H SER A 89 85.979 -10.986 9.355 1.00 0.00 H new ATOM 0 HA SER A 89 87.284 -9.707 11.771 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.630 -10.720 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.143 -9.178 8.915 1.00 0.00 H new ATOM 0 HG SER A 89 90.185 -9.042 10.029 1.00 0.00 H new ATOM 934 N MET A 90 84.956 -8.724 10.035 1.00 0.00 N ATOM 935 CA MET A 90 84.059 -7.572 9.730 1.00 0.00 C ATOM 936 C MET A 90 83.028 -7.392 10.848 1.00 0.00 C ATOM 937 O MET A 90 83.297 -7.661 12.002 1.00 0.00 O ATOM 938 CB MET A 90 83.370 -7.945 8.418 1.00 0.00 C ATOM 939 CG MET A 90 83.455 -6.765 7.447 1.00 0.00 C ATOM 940 SD MET A 90 81.960 -6.714 6.428 1.00 0.00 S ATOM 941 CE MET A 90 82.575 -7.744 5.073 1.00 0.00 C ATOM 0 H MET A 90 84.531 -9.645 9.931 1.00 0.00 H new ATOM 0 HA MET A 90 84.605 -6.632 9.651 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.845 -8.824 7.982 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.327 -8.204 8.603 1.00 0.00 H new ATOM 0 HG2 MET A 90 83.563 -5.832 8.000 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.337 -6.864 6.814 1.00 0.00 H new ATOM 0 HE1 MET A 90 81.874 -7.704 4.239 1.00 0.00 H new ATOM 0 HE2 MET A 90 83.548 -7.375 4.748 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.674 -8.774 5.415 1.00 0.00 H new ATOM 951 N VAL A 91 81.849 -6.938 10.517 1.00 0.00 N ATOM 952 CA VAL A 91 80.805 -6.739 11.564 1.00 0.00 C ATOM 953 C VAL A 91 79.623 -7.683 11.319 1.00 0.00 C ATOM 954 O VAL A 91 79.434 -8.186 10.229 1.00 0.00 O ATOM 955 CB VAL A 91 80.369 -5.280 11.417 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.588 -4.854 12.663 1.00 0.00 C ATOM 957 CG2 VAL A 91 81.605 -4.391 11.263 1.00 0.00 C ATOM 0 H VAL A 91 81.564 -6.696 9.568 1.00 0.00 H new ATOM 0 HA VAL A 91 81.178 -6.953 12.566 1.00 0.00 H new ATOM 0 HB VAL A 91 79.735 -5.177 10.536 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.277 -3.815 12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 91 78.708 -5.487 12.775 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.223 -4.957 13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.295 -3.351 11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.239 -4.493 12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 91 82.163 -4.694 10.377 1.00 0.00 H new ATOM 967 N GLY A 92 78.829 -7.928 12.325 1.00 0.00 N ATOM 968 CA GLY A 92 77.662 -8.840 12.155 1.00 0.00 C ATOM 969 C GLY A 92 76.635 -8.203 11.210 1.00 0.00 C ATOM 970 O GLY A 92 76.329 -8.757 10.173 1.00 0.00 O ATOM 0 H GLY A 92 78.938 -7.535 13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.993 -9.798 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.203 -9.041 13.123 1.00 0.00 H new ATOM 974 N PRO A 93 76.128 -7.059 11.601 1.00 0.00 N ATOM 975 CA PRO A 93 75.120 -6.351 10.774 1.00 0.00 C ATOM 976 C PRO A 93 75.686 -6.025 9.388 1.00 0.00 C ATOM 977 O PRO A 93 75.101 -6.357 8.377 1.00 0.00 O ATOM 978 CB PRO A 93 74.859 -5.075 11.579 1.00 0.00 C ATOM 979 CG PRO A 93 75.734 -5.102 12.847 1.00 0.00 C ATOM 980 CD PRO A 93 76.530 -6.414 12.874 1.00 0.00 C ATOM 0 HA PRO A 93 74.218 -6.935 10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.091 -4.195 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.805 -5.008 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.413 -4.249 12.855 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.110 -5.021 13.737 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.604 -6.236 12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.273 -7.027 13.738 1.00 0.00 H new ATOM 988 N PHE A 94 76.817 -5.376 9.334 1.00 0.00 N ATOM 989 CA PHE A 94 77.414 -5.030 8.011 1.00 0.00 C ATOM 990 C PHE A 94 77.503 -6.280 7.129 1.00 0.00 C ATOM 991 O PHE A 94 77.011 -6.305 6.020 1.00 0.00 O ATOM 992 CB PHE A 94 78.811 -4.499 8.332 1.00 0.00 C ATOM 993 CG PHE A 94 79.389 -3.834 7.105 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.715 -4.604 5.981 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.600 -2.450 7.092 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.252 -3.989 4.845 1.00 0.00 C ATOM 997 CE2 PHE A 94 80.138 -1.836 5.955 1.00 0.00 C ATOM 998 CZ PHE A 94 80.464 -2.605 4.831 1.00 0.00 C ATOM 0 H PHE A 94 77.353 -5.071 10.146 1.00 0.00 H new ATOM 0 HA PHE A 94 76.817 -4.299 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 94 78.761 -3.787 9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.457 -5.315 8.655 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.552 -5.672 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 94 79.348 -1.857 7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 94 80.503 -4.582 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 94 80.302 -0.769 5.945 1.00 0.00 H new ATOM 0 HZ PHE A 94 80.879 -2.131 3.954 1.00 0.00 H new ATOM 1008 N GLN A 95 78.130 -7.316 7.616 1.00 0.00 N ATOM 1009 CA GLN A 95 78.250 -8.563 6.807 1.00 0.00 C ATOM 1010 C GLN A 95 76.862 -9.146 6.526 1.00 0.00 C ATOM 1011 O GLN A 95 76.546 -9.512 5.411 1.00 0.00 O ATOM 1012 CB GLN A 95 79.074 -9.516 7.677 1.00 0.00 C ATOM 1013 CG GLN A 95 78.899 -10.952 7.181 1.00 0.00 C ATOM 1014 CD GLN A 95 78.166 -11.773 8.244 1.00 0.00 C ATOM 1015 OE1 GLN A 95 78.276 -11.498 9.422 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.416 -12.774 7.874 1.00 0.00 N ATOM 0 H GLN A 95 78.564 -7.353 8.538 1.00 0.00 H new ATOM 0 HA GLN A 95 78.719 -8.389 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.127 -9.236 7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.757 -9.440 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.336 -10.960 6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.872 -11.396 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 95 77.324 -13.004 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.921 -13.327 8.574 1.00 0.00 H new ATOM 1025 N GLU A 96 76.034 -9.238 7.529 1.00 0.00 N ATOM 1026 CA GLU A 96 74.669 -9.801 7.322 1.00 0.00 C ATOM 1027 C GLU A 96 74.027 -9.204 6.066 1.00 0.00 C ATOM 1028 O GLU A 96 73.258 -9.852 5.383 1.00 0.00 O ATOM 1029 CB GLU A 96 73.883 -9.395 8.569 1.00 0.00 C ATOM 1030 CG GLU A 96 73.694 -10.615 9.474 1.00 0.00 C ATOM 1031 CD GLU A 96 72.229 -11.058 9.433 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.400 -10.257 9.037 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.964 -12.191 9.799 1.00 0.00 O ATOM 0 H GLU A 96 76.243 -8.948 8.484 1.00 0.00 H new ATOM 0 HA GLU A 96 74.688 -10.882 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.414 -8.609 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.913 -8.987 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 96 74.341 -11.429 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 96 73.983 -10.371 10.496 1.00 0.00 H new ATOM 1040 N ALA A 97 74.331 -7.974 5.755 1.00 0.00 N ATOM 1041 CA ALA A 97 73.731 -7.342 4.544 1.00 0.00 C ATOM 1042 C ALA A 97 74.615 -7.583 3.319 1.00 0.00 C ATOM 1043 O ALA A 97 74.387 -8.488 2.540 1.00 0.00 O ATOM 1044 CB ALA A 97 73.666 -5.849 4.870 1.00 0.00 C ATOM 0 H ALA A 97 74.968 -7.379 6.285 1.00 0.00 H new ATOM 0 HA ALA A 97 72.750 -7.755 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.235 -5.311 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.046 -5.696 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.671 -5.475 5.063 1.00 0.00 H new ATOM 1050 N ALA A 98 75.619 -6.773 3.144 1.00 0.00 N ATOM 1051 CA ALA A 98 76.522 -6.936 1.967 1.00 0.00 C ATOM 1052 C ALA A 98 76.929 -8.403 1.793 1.00 0.00 C ATOM 1053 O ALA A 98 76.533 -9.059 0.851 1.00 0.00 O ATOM 1054 CB ALA A 98 77.747 -6.080 2.290 1.00 0.00 C ATOM 0 H ALA A 98 75.856 -6.001 3.767 1.00 0.00 H new ATOM 0 HA ALA A 98 76.038 -6.634 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.463 -6.145 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.441 -5.042 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.212 -6.441 3.207 1.00 0.00 H new ATOM 1060 N PHE A 99 77.728 -8.916 2.687 1.00 0.00 N ATOM 1061 CA PHE A 99 78.172 -10.335 2.568 1.00 0.00 C ATOM 1062 C PHE A 99 77.009 -11.235 2.146 1.00 0.00 C ATOM 1063 O PHE A 99 77.194 -12.224 1.464 1.00 0.00 O ATOM 1064 CB PHE A 99 78.657 -10.715 3.965 1.00 0.00 C ATOM 1065 CG PHE A 99 80.116 -11.090 3.899 1.00 0.00 C ATOM 1066 CD1 PHE A 99 81.066 -10.138 3.513 1.00 0.00 C ATOM 1067 CD2 PHE A 99 80.519 -12.391 4.220 1.00 0.00 C ATOM 1068 CE1 PHE A 99 82.420 -10.486 3.448 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.872 -12.739 4.156 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.822 -11.787 3.770 1.00 0.00 C ATOM 0 H PHE A 99 78.094 -8.414 3.496 1.00 0.00 H new ATOM 0 HA PHE A 99 78.949 -10.455 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.514 -9.881 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 99 78.072 -11.550 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 99 80.754 -9.134 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 99 79.786 -13.126 4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 99 83.153 -9.752 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 99 82.184 -13.743 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.867 -12.057 3.721 1.00 0.00 H new ATOM 1080 N ALA A 100 75.817 -10.907 2.551 1.00 0.00 N ATOM 1081 CA ALA A 100 74.648 -11.752 2.177 1.00 0.00 C ATOM 1082 C ALA A 100 73.841 -11.091 1.055 1.00 0.00 C ATOM 1083 O ALA A 100 72.782 -11.557 0.687 1.00 0.00 O ATOM 1084 CB ALA A 100 73.811 -11.853 3.451 1.00 0.00 C ATOM 0 H ALA A 100 75.599 -10.092 3.124 1.00 0.00 H new ATOM 0 HA ALA A 100 74.953 -12.731 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.928 -12.462 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.404 -12.314 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.503 -10.855 3.764 1.00 0.00 H new ATOM 1090 N LEU A 101 74.328 -10.009 0.512 1.00 0.00 N ATOM 1091 CA LEU A 101 73.577 -9.327 -0.576 1.00 0.00 C ATOM 1092 C LEU A 101 74.384 -9.331 -1.885 1.00 0.00 C ATOM 1093 O LEU A 101 75.562 -9.633 -1.885 1.00 0.00 O ATOM 1094 CB LEU A 101 73.370 -7.903 -0.072 1.00 0.00 C ATOM 1095 CG LEU A 101 72.141 -7.865 0.837 1.00 0.00 C ATOM 1096 CD1 LEU A 101 72.189 -6.607 1.707 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.873 -7.844 -0.021 1.00 0.00 C ATOM 0 H LEU A 101 75.210 -9.570 0.774 1.00 0.00 H new ATOM 0 HA LEU A 101 72.634 -9.826 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.251 -7.566 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.236 -7.223 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 101 72.133 -8.748 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.313 -6.579 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 101 73.092 -6.621 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.196 -5.723 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.996 -7.817 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.880 -6.961 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.839 -8.740 -0.641 1.00 0.00 H new ATOM 1109 N PRO A 102 73.712 -9.006 -2.965 1.00 0.00 N ATOM 1110 CA PRO A 102 74.356 -8.982 -4.304 1.00 0.00 C ATOM 1111 C PRO A 102 75.445 -7.905 -4.387 1.00 0.00 C ATOM 1112 O PRO A 102 75.407 -6.913 -3.686 1.00 0.00 O ATOM 1113 CB PRO A 102 73.190 -8.615 -5.228 1.00 0.00 C ATOM 1114 CG PRO A 102 71.920 -8.418 -4.376 1.00 0.00 C ATOM 1115 CD PRO A 102 72.272 -8.652 -2.904 1.00 0.00 C ATOM 0 HA PRO A 102 74.848 -9.922 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.419 -7.703 -5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.031 -9.402 -5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.525 -7.411 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.142 -9.112 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.099 -7.761 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.676 -9.454 -2.468 1.00 0.00 H new ATOM 1123 N VAL A 103 76.398 -8.080 -5.266 1.00 0.00 N ATOM 1124 CA VAL A 103 77.470 -7.054 -5.425 1.00 0.00 C ATOM 1125 C VAL A 103 76.886 -5.865 -6.196 1.00 0.00 C ATOM 1126 O VAL A 103 75.927 -6.015 -6.926 1.00 0.00 O ATOM 1127 CB VAL A 103 78.572 -7.760 -6.231 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.342 -6.744 -7.081 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.540 -8.448 -5.266 1.00 0.00 C ATOM 0 H VAL A 103 76.480 -8.890 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 103 77.862 -6.674 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 103 78.113 -8.498 -6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.119 -7.258 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 103 78.656 -6.253 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.799 -5.998 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 103 80.324 -8.950 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 103 79.989 -7.704 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 103 78.998 -9.181 -4.668 1.00 0.00 H new ATOM 1139 N SER A 104 77.441 -4.685 -6.046 1.00 0.00 N ATOM 1140 CA SER A 104 76.875 -3.508 -6.786 1.00 0.00 C ATOM 1141 C SER A 104 77.427 -2.182 -6.247 1.00 0.00 C ATOM 1142 O SER A 104 78.239 -1.534 -6.876 1.00 0.00 O ATOM 1143 CB SER A 104 75.365 -3.572 -6.536 1.00 0.00 C ATOM 1144 OG SER A 104 74.690 -3.877 -7.752 1.00 0.00 O ATOM 0 H SER A 104 78.248 -4.486 -5.454 1.00 0.00 H new ATOM 0 HA SER A 104 77.136 -3.548 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 104 75.143 -4.330 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 104 75.011 -2.620 -6.141 1.00 0.00 H new ATOM 0 HG SER A 104 73.847 -3.379 -7.792 1.00 0.00 H new ATOM 1150 N GLY A 105 76.984 -1.778 -5.087 1.00 0.00 N ATOM 1151 CA GLY A 105 77.467 -0.497 -4.498 1.00 0.00 C ATOM 1152 C GLY A 105 77.197 0.684 -5.442 1.00 0.00 C ATOM 1153 O GLY A 105 77.016 0.518 -6.632 1.00 0.00 O ATOM 0 H GLY A 105 76.304 -2.284 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.972 -0.323 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.536 -0.567 -4.295 1.00 0.00 H new ATOM 1157 N MET A 106 77.212 1.884 -4.902 1.00 0.00 N ATOM 1158 CA MET A 106 77.008 3.119 -5.716 1.00 0.00 C ATOM 1159 C MET A 106 75.517 3.354 -6.075 1.00 0.00 C ATOM 1160 O MET A 106 74.675 3.409 -5.201 1.00 0.00 O ATOM 1161 CB MET A 106 77.886 2.900 -6.942 1.00 0.00 C ATOM 1162 CG MET A 106 78.585 4.210 -7.325 1.00 0.00 C ATOM 1163 SD MET A 106 77.756 4.967 -8.741 1.00 0.00 S ATOM 1164 CE MET A 106 76.498 5.856 -7.795 1.00 0.00 C ATOM 0 H MET A 106 77.361 2.057 -3.908 1.00 0.00 H new ATOM 0 HA MET A 106 77.282 4.024 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.628 2.129 -6.735 1.00 0.00 H new ATOM 0 HB3 MET A 106 77.280 2.544 -7.775 1.00 0.00 H new ATOM 0 HG2 MET A 106 78.576 4.897 -6.479 1.00 0.00 H new ATOM 0 HG3 MET A 106 79.630 4.016 -7.567 1.00 0.00 H new ATOM 0 HE1 MET A 106 75.532 5.368 -7.925 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.767 5.853 -6.739 1.00 0.00 H new ATOM 0 HE3 MET A 106 76.435 6.885 -8.150 1.00 0.00 H new ATOM 1174 N ASP A 107 75.188 3.543 -7.339 1.00 0.00 N ATOM 1175 CA ASP A 107 73.752 3.823 -7.718 1.00 0.00 C ATOM 1176 C ASP A 107 72.910 2.548 -7.771 1.00 0.00 C ATOM 1177 O ASP A 107 71.709 2.586 -7.595 1.00 0.00 O ATOM 1178 CB ASP A 107 73.776 4.471 -9.110 1.00 0.00 C ATOM 1179 CG ASP A 107 74.844 3.818 -9.992 1.00 0.00 C ATOM 1180 OD1 ASP A 107 75.309 2.750 -9.631 1.00 0.00 O ATOM 1181 OD2 ASP A 107 75.178 4.397 -11.011 1.00 0.00 O ATOM 0 H ASP A 107 75.844 3.516 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 107 73.301 4.472 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 107 72.798 4.371 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.977 5.538 -9.017 1.00 0.00 H new ATOM 1186 N LYS A 108 73.514 1.420 -8.011 1.00 0.00 N ATOM 1187 CA LYS A 108 72.721 0.163 -8.068 1.00 0.00 C ATOM 1188 C LYS A 108 73.189 -0.827 -6.992 1.00 0.00 C ATOM 1189 O LYS A 108 73.430 -1.977 -7.291 1.00 0.00 O ATOM 1190 CB LYS A 108 72.991 -0.405 -9.459 1.00 0.00 C ATOM 1191 CG LYS A 108 74.483 -0.289 -9.785 1.00 0.00 C ATOM 1192 CD LYS A 108 74.780 -1.037 -11.086 1.00 0.00 C ATOM 1193 CE LYS A 108 74.886 -2.536 -10.800 1.00 0.00 C ATOM 1194 NZ LYS A 108 73.838 -3.163 -11.654 1.00 0.00 N ATOM 0 H LYS A 108 74.516 1.314 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 108 71.661 0.342 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.680 -1.449 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.404 0.134 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 108 74.764 0.759 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 108 75.077 -0.703 -8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 108 73.991 -0.850 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 108 75.710 -0.673 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 108 75.877 -2.916 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 108 74.716 -2.750 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 73.847 -4.194 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.905 -2.786 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 74.030 -2.947 -12.653 1.00 0.00 H new ATOM 1208 N PRO A 109 73.308 -0.351 -5.773 1.00 0.00 N ATOM 1209 CA PRO A 109 73.759 -1.210 -4.661 1.00 0.00 C ATOM 1210 C PRO A 109 72.874 -2.446 -4.514 1.00 0.00 C ATOM 1211 O PRO A 109 72.023 -2.723 -5.335 1.00 0.00 O ATOM 1212 CB PRO A 109 73.613 -0.293 -3.442 1.00 0.00 C ATOM 1213 CG PRO A 109 73.081 1.069 -3.915 1.00 0.00 C ATOM 1214 CD PRO A 109 72.999 1.056 -5.442 1.00 0.00 C ATOM 0 HA PRO A 109 74.770 -1.593 -4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 109 72.930 -0.734 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.574 -0.171 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 109 72.098 1.262 -3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 109 73.739 1.870 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 109 72.010 1.348 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.715 1.744 -5.892 1.00 0.00 H new ATOM 1222 N VAL A 110 73.092 -3.179 -3.463 1.00 0.00 N ATOM 1223 CA VAL A 110 72.299 -4.413 -3.186 1.00 0.00 C ATOM 1224 C VAL A 110 70.806 -4.194 -3.398 1.00 0.00 C ATOM 1225 O VAL A 110 70.359 -3.169 -3.871 1.00 0.00 O ATOM 1226 CB VAL A 110 72.503 -4.667 -1.701 1.00 0.00 C ATOM 1227 CG1 VAL A 110 73.922 -5.108 -1.423 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.228 -3.375 -0.934 1.00 0.00 C ATOM 0 H VAL A 110 73.805 -2.972 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 110 72.616 -5.223 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 110 71.821 -5.455 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 110 74.046 -5.284 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 110 74.131 -6.028 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 110 74.614 -4.330 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 110 72.372 -3.547 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 110 72.914 -2.598 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 110 71.202 -3.056 -1.115 1.00 0.00 H new ATOM 1238 N PHE A 111 70.030 -5.153 -2.985 1.00 0.00 N ATOM 1239 CA PHE A 111 68.562 -5.019 -3.092 1.00 0.00 C ATOM 1240 C PHE A 111 68.077 -4.071 -1.999 1.00 0.00 C ATOM 1241 O PHE A 111 66.995 -3.522 -2.070 1.00 0.00 O ATOM 1242 CB PHE A 111 68.017 -6.427 -2.864 1.00 0.00 C ATOM 1243 CG PHE A 111 67.623 -7.031 -4.189 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.586 -7.202 -5.190 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.297 -7.419 -4.418 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.224 -7.761 -6.421 1.00 0.00 C ATOM 1247 CE2 PHE A 111 65.936 -7.978 -5.650 1.00 0.00 C ATOM 1248 CZ PHE A 111 66.899 -8.149 -6.651 1.00 0.00 C ATOM 0 H PHE A 111 70.356 -6.028 -2.576 1.00 0.00 H new ATOM 0 HA PHE A 111 68.236 -4.618 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.771 -7.047 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.156 -6.392 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.608 -6.903 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 111 65.554 -7.287 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 111 68.967 -7.893 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 111 64.914 -8.277 -5.828 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.620 -8.580 -7.601 1.00 0.00 H new ATOM 1258 N THR A 112 68.878 -3.868 -0.981 1.00 0.00 N ATOM 1259 CA THR A 112 68.451 -2.941 0.111 1.00 0.00 C ATOM 1260 C THR A 112 68.937 -1.518 -0.185 1.00 0.00 C ATOM 1261 O THR A 112 69.062 -1.123 -1.327 1.00 0.00 O ATOM 1262 CB THR A 112 69.086 -3.486 1.395 1.00 0.00 C ATOM 1263 OG1 THR A 112 68.586 -2.761 2.509 1.00 0.00 O ATOM 1264 CG2 THR A 112 70.604 -3.339 1.333 1.00 0.00 C ATOM 0 H THR A 112 69.795 -4.297 -0.860 1.00 0.00 H new ATOM 0 HA THR A 112 67.366 -2.891 0.203 1.00 0.00 H new ATOM 0 HB THR A 112 68.836 -4.542 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 112 68.989 -3.108 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.045 -3.729 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 112 70.989 -3.897 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 112 70.863 -2.286 1.225 1.00 0.00 H new ATOM 1272 N ASP A 113 69.208 -0.742 0.828 1.00 0.00 N ATOM 1273 CA ASP A 113 69.681 0.656 0.592 1.00 0.00 C ATOM 1274 C ASP A 113 71.172 0.773 0.928 1.00 0.00 C ATOM 1275 O ASP A 113 71.655 0.102 1.818 1.00 0.00 O ATOM 1276 CB ASP A 113 68.847 1.524 1.534 1.00 0.00 C ATOM 1277 CG ASP A 113 67.379 1.097 1.457 1.00 0.00 C ATOM 1278 OD1 ASP A 113 66.800 1.230 0.391 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.860 0.644 2.464 1.00 0.00 O ATOM 0 H ASP A 113 69.123 -1.012 1.808 1.00 0.00 H new ATOM 0 HA ASP A 113 69.565 0.961 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.212 1.425 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.946 2.575 1.261 1.00 0.00 H new ATOM 1284 N PRO A 114 71.862 1.616 0.197 1.00 0.00 N ATOM 1285 CA PRO A 114 73.311 1.801 0.423 1.00 0.00 C ATOM 1286 C PRO A 114 73.604 2.306 1.851 1.00 0.00 C ATOM 1287 O PRO A 114 74.362 1.680 2.561 1.00 0.00 O ATOM 1288 CB PRO A 114 73.704 2.811 -0.664 1.00 0.00 C ATOM 1289 CG PRO A 114 72.443 3.164 -1.483 1.00 0.00 C ATOM 1290 CD PRO A 114 71.240 2.416 -0.888 1.00 0.00 C ATOM 0 HA PRO A 114 73.885 0.877 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.126 3.709 -0.212 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.472 2.390 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.267 4.240 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.581 2.885 -2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.485 3.102 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.749 1.784 -1.628 1.00 0.00 H new ATOM 1298 N PRO A 115 73.005 3.411 2.236 1.00 0.00 N ATOM 1299 CA PRO A 115 73.231 3.978 3.595 1.00 0.00 C ATOM 1300 C PRO A 115 72.633 3.068 4.675 1.00 0.00 C ATOM 1301 O PRO A 115 71.523 3.278 5.123 1.00 0.00 O ATOM 1302 CB PRO A 115 72.457 5.298 3.540 1.00 0.00 C ATOM 1303 CG PRO A 115 71.803 5.430 2.152 1.00 0.00 C ATOM 1304 CD PRO A 115 72.081 4.150 1.352 1.00 0.00 C ATOM 0 HA PRO A 115 74.287 4.091 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.696 5.322 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.128 6.137 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.729 5.586 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.203 6.298 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.168 3.587 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.533 4.367 0.384 1.00 0.00 H new ATOM 1312 N VAL A 116 73.347 2.063 5.099 1.00 0.00 N ATOM 1313 CA VAL A 116 72.799 1.162 6.148 1.00 0.00 C ATOM 1314 C VAL A 116 73.384 1.524 7.519 1.00 0.00 C ATOM 1315 O VAL A 116 74.495 2.003 7.623 1.00 0.00 O ATOM 1316 CB VAL A 116 73.235 -0.239 5.736 1.00 0.00 C ATOM 1317 CG1 VAL A 116 72.960 -0.452 4.245 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.725 -0.417 6.016 1.00 0.00 C ATOM 0 H VAL A 116 74.282 1.828 4.766 1.00 0.00 H new ATOM 0 HA VAL A 116 71.715 1.243 6.234 1.00 0.00 H new ATOM 0 HB VAL A 116 72.671 -0.973 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.274 -1.455 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 116 71.894 -0.336 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.516 0.283 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.034 -1.420 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.293 0.320 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 116 74.914 -0.278 7.080 1.00 0.00 H new ATOM 1328 N LYS A 117 72.643 1.299 8.570 1.00 0.00 N ATOM 1329 CA LYS A 117 73.156 1.630 9.931 1.00 0.00 C ATOM 1330 C LYS A 117 73.724 0.379 10.605 1.00 0.00 C ATOM 1331 O LYS A 117 73.197 -0.707 10.465 1.00 0.00 O ATOM 1332 CB LYS A 117 71.937 2.141 10.695 1.00 0.00 C ATOM 1333 CG LYS A 117 72.368 3.238 11.670 1.00 0.00 C ATOM 1334 CD LYS A 117 72.428 2.664 13.087 1.00 0.00 C ATOM 1335 CE LYS A 117 71.139 3.015 13.835 1.00 0.00 C ATOM 1336 NZ LYS A 117 70.284 1.799 13.717 1.00 0.00 N ATOM 0 H LYS A 117 71.704 0.900 8.545 1.00 0.00 H new ATOM 0 HA LYS A 117 73.960 2.365 9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.195 2.530 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.465 1.322 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.343 3.632 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 117 71.665 4.070 11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 117 72.555 1.582 13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 117 73.290 3.067 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 117 71.341 3.256 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 117 70.651 3.885 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 69.485 1.871 14.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.922 1.722 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 70.848 0.955 13.944 1.00 0.00 H new ATOM 1350 N THR A 118 74.795 0.521 11.337 1.00 0.00 N ATOM 1351 CA THR A 118 75.389 -0.665 12.017 1.00 0.00 C ATOM 1352 C THR A 118 76.541 -0.239 12.929 1.00 0.00 C ATOM 1353 O THR A 118 76.734 -0.786 13.997 1.00 0.00 O ATOM 1354 CB THR A 118 75.906 -1.550 10.883 1.00 0.00 C ATOM 1355 OG1 THR A 118 76.583 -2.672 11.432 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.869 -0.747 10.006 1.00 0.00 C ATOM 0 H THR A 118 75.283 1.403 11.493 1.00 0.00 H new ATOM 0 HA THR A 118 74.665 -1.183 12.646 1.00 0.00 H new ATOM 0 HB THR A 118 75.068 -1.893 10.277 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.049 -3.155 10.718 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.237 -1.378 9.198 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.347 0.113 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.709 -0.403 10.609 1.00 0.00 H new ATOM 1364 N LYS A 119 77.314 0.727 12.515 1.00 0.00 N ATOM 1365 CA LYS A 119 78.456 1.177 13.360 1.00 0.00 C ATOM 1366 C LYS A 119 78.106 2.473 14.096 1.00 0.00 C ATOM 1367 O LYS A 119 78.555 2.708 15.200 1.00 0.00 O ATOM 1368 CB LYS A 119 79.604 1.411 12.378 1.00 0.00 C ATOM 1369 CG LYS A 119 80.921 1.524 13.150 1.00 0.00 C ATOM 1370 CD LYS A 119 81.360 0.132 13.611 1.00 0.00 C ATOM 1371 CE LYS A 119 82.072 0.244 14.961 1.00 0.00 C ATOM 1372 NZ LYS A 119 82.398 -1.161 15.338 1.00 0.00 N ATOM 0 H LYS A 119 77.205 1.223 11.630 1.00 0.00 H new ATOM 0 HA LYS A 119 78.712 0.444 14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 119 79.658 0.590 11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 119 79.427 2.321 11.805 1.00 0.00 H new ATOM 0 HG2 LYS A 119 81.689 1.969 12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 119 80.796 2.182 14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 119 80.494 -0.524 13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 119 82.026 -0.315 12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 119 82.973 0.852 14.883 1.00 0.00 H new ATOM 0 HE3 LYS A 119 81.433 0.716 15.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 82.889 -1.169 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 81.520 -1.714 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 83.013 -1.581 14.612 1.00 0.00 H new ATOM 1386 N PHE A 120 77.308 3.318 13.500 1.00 0.00 N ATOM 1387 CA PHE A 120 76.942 4.595 14.183 1.00 0.00 C ATOM 1388 C PHE A 120 75.957 5.412 13.340 1.00 0.00 C ATOM 1389 O PHE A 120 75.181 6.188 13.862 1.00 0.00 O ATOM 1390 CB PHE A 120 78.261 5.353 14.331 1.00 0.00 C ATOM 1391 CG PHE A 120 78.100 6.424 15.382 1.00 0.00 C ATOM 1392 CD1 PHE A 120 77.915 6.068 16.722 1.00 0.00 C ATOM 1393 CD2 PHE A 120 78.133 7.775 15.013 1.00 0.00 C ATOM 1394 CE1 PHE A 120 77.763 7.062 17.696 1.00 0.00 C ATOM 1395 CE2 PHE A 120 77.981 8.769 15.987 1.00 0.00 C ATOM 1396 CZ PHE A 120 77.796 8.413 17.328 1.00 0.00 C ATOM 0 H PHE A 120 76.896 3.182 12.577 1.00 0.00 H new ATOM 0 HA PHE A 120 76.453 4.412 15.140 1.00 0.00 H new ATOM 0 HB2 PHE A 120 79.059 4.667 14.613 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.546 5.800 13.379 1.00 0.00 H new ATOM 0 HD1 PHE A 120 77.889 5.026 17.005 1.00 0.00 H new ATOM 0 HD2 PHE A 120 78.276 8.049 13.978 1.00 0.00 H new ATOM 0 HE1 PHE A 120 77.620 6.787 18.731 1.00 0.00 H new ATOM 0 HE2 PHE A 120 78.006 9.811 15.704 1.00 0.00 H new ATOM 0 HZ PHE A 120 77.679 9.180 18.079 1.00 0.00 H new ATOM 1406 N GLY A 121 75.981 5.258 12.044 1.00 0.00 N ATOM 1407 CA GLY A 121 75.047 6.043 11.189 1.00 0.00 C ATOM 1408 C GLY A 121 74.791 5.286 9.887 1.00 0.00 C ATOM 1409 O GLY A 121 75.082 4.113 9.772 1.00 0.00 O ATOM 0 H GLY A 121 76.604 4.625 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.108 6.210 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.471 7.024 10.975 1.00 0.00 H new ATOM 1413 N TYR A 122 74.253 5.948 8.899 1.00 0.00 N ATOM 1414 CA TYR A 122 73.984 5.262 7.604 1.00 0.00 C ATOM 1415 C TYR A 122 75.200 5.386 6.687 1.00 0.00 C ATOM 1416 O TYR A 122 75.663 6.472 6.398 1.00 0.00 O ATOM 1417 CB TYR A 122 72.795 6.003 6.991 1.00 0.00 C ATOM 1418 CG TYR A 122 71.569 5.816 7.853 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.162 4.530 8.229 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.836 6.933 8.270 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.021 4.364 9.026 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.698 6.766 9.064 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.289 5.483 9.443 1.00 0.00 C ATOM 1424 OH TYR A 122 68.167 5.319 10.228 1.00 0.00 O ATOM 0 H TYR A 122 73.989 6.933 8.933 1.00 0.00 H new ATOM 0 HA TYR A 122 73.778 4.200 7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.026 7.064 6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.603 5.630 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 122 71.726 3.668 7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.150 7.924 7.978 1.00 0.00 H new ATOM 0 HE1 TYR A 122 69.706 3.373 9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.134 7.629 9.385 1.00 0.00 H new ATOM 0 HH TYR A 122 67.778 6.196 10.429 1.00 0.00 H new ATOM 1434 N HIS A 123 75.717 4.286 6.216 1.00 0.00 N ATOM 1435 CA HIS A 123 76.894 4.356 5.306 1.00 0.00 C ATOM 1436 C HIS A 123 76.577 3.610 4.013 1.00 0.00 C ATOM 1437 O HIS A 123 75.801 2.680 4.013 1.00 0.00 O ATOM 1438 CB HIS A 123 78.048 3.691 6.063 1.00 0.00 C ATOM 1439 CG HIS A 123 77.654 2.310 6.502 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.879 1.192 5.715 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.076 1.843 7.657 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.444 0.120 6.402 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.947 0.462 7.591 1.00 0.00 N ATOM 0 H HIS A 123 75.378 3.346 6.420 1.00 0.00 H new ATOM 0 HA HIS A 123 77.152 5.379 5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 123 78.930 3.639 5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.318 4.293 6.931 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.298 1.183 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.768 2.457 8.491 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.492 -0.895 6.035 1.00 0.00 H new ATOM 1451 N ILE A 124 77.152 4.010 2.910 1.00 0.00 N ATOM 1452 CA ILE A 124 76.842 3.309 1.631 1.00 0.00 C ATOM 1453 C ILE A 124 77.806 2.144 1.422 1.00 0.00 C ATOM 1454 O ILE A 124 78.987 2.328 1.205 1.00 0.00 O ATOM 1455 CB ILE A 124 77.020 4.356 0.526 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.305 5.653 0.925 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.423 3.820 -0.775 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.179 6.574 -0.296 1.00 0.00 C ATOM 0 H ILE A 124 77.815 4.782 2.839 1.00 0.00 H new ATOM 0 HA ILE A 124 75.833 2.897 1.631 1.00 0.00 H new ATOM 0 HB ILE A 124 78.081 4.561 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.316 5.426 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.860 6.157 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.547 4.561 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 124 76.934 2.900 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.362 3.617 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.670 7.494 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.172 6.813 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.605 6.071 -1.074 1.00 0.00 H new ATOM 1470 N ILE A 125 77.302 0.941 1.484 1.00 0.00 N ATOM 1471 CA ILE A 125 78.175 -0.244 1.290 1.00 0.00 C ATOM 1472 C ILE A 125 78.212 -0.611 -0.191 1.00 0.00 C ATOM 1473 O ILE A 125 77.191 -0.797 -0.824 1.00 0.00 O ATOM 1474 CB ILE A 125 77.514 -1.356 2.113 1.00 0.00 C ATOM 1475 CG1 ILE A 125 77.976 -1.257 3.568 1.00 0.00 C ATOM 1476 CG2 ILE A 125 77.905 -2.726 1.552 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.491 -2.487 4.341 1.00 0.00 C ATOM 0 H ILE A 125 76.320 0.731 1.661 1.00 0.00 H new ATOM 0 HA ILE A 125 79.204 -0.071 1.603 1.00 0.00 H new ATOM 0 HB ILE A 125 76.431 -1.241 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.063 -1.192 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.583 -0.349 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.431 -3.510 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.575 -2.803 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 125 78.988 -2.842 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.820 -2.418 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.402 -2.532 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.905 -3.388 3.888 1.00 0.00 H new ATOM 1489 N MET A 126 79.381 -0.712 -0.748 1.00 0.00 N ATOM 1490 CA MET A 126 79.492 -1.060 -2.179 1.00 0.00 C ATOM 1491 C MET A 126 80.359 -2.314 -2.332 1.00 0.00 C ATOM 1492 O MET A 126 81.568 -2.256 -2.245 1.00 0.00 O ATOM 1493 CB MET A 126 80.134 0.187 -2.816 1.00 0.00 C ATOM 1494 CG MET A 126 81.253 -0.207 -3.787 1.00 0.00 C ATOM 1495 SD MET A 126 81.605 1.171 -4.910 1.00 0.00 S ATOM 1496 CE MET A 126 81.584 2.501 -3.681 1.00 0.00 C ATOM 0 H MET A 126 80.269 -0.567 -0.267 1.00 0.00 H new ATOM 0 HA MET A 126 78.541 -1.298 -2.656 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.374 0.762 -3.345 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.536 0.833 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.152 -0.474 -3.231 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.958 -1.087 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 126 82.218 3.320 -4.020 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.563 2.861 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.958 2.123 -2.729 1.00 0.00 H new ATOM 1506 N VAL A 127 79.746 -3.440 -2.569 1.00 0.00 N ATOM 1507 CA VAL A 127 80.531 -4.695 -2.733 1.00 0.00 C ATOM 1508 C VAL A 127 80.896 -4.856 -4.205 1.00 0.00 C ATOM 1509 O VAL A 127 80.166 -4.427 -5.076 1.00 0.00 O ATOM 1510 CB VAL A 127 79.591 -5.814 -2.282 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.356 -7.137 -2.241 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.050 -5.492 -0.887 1.00 0.00 C ATOM 0 H VAL A 127 78.735 -3.545 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 127 81.457 -4.701 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 127 78.761 -5.898 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.686 -7.935 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 127 80.742 -7.365 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.186 -7.056 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.380 -6.289 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 127 79.880 -5.409 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.505 -4.549 -0.917 1.00 0.00 H new ATOM 1522 N GLU A 128 82.018 -5.446 -4.505 1.00 0.00 N ATOM 1523 CA GLU A 128 82.388 -5.585 -5.932 1.00 0.00 C ATOM 1524 C GLU A 128 83.239 -6.837 -6.185 1.00 0.00 C ATOM 1525 O GLU A 128 84.444 -6.826 -6.146 1.00 0.00 O ATOM 1526 CB GLU A 128 83.168 -4.314 -6.273 1.00 0.00 C ATOM 1527 CG GLU A 128 82.525 -3.631 -7.482 1.00 0.00 C ATOM 1528 CD GLU A 128 83.618 -3.046 -8.379 1.00 0.00 C ATOM 1529 OE1 GLU A 128 84.187 -3.797 -9.153 1.00 0.00 O ATOM 1530 OE2 GLU A 128 83.867 -1.856 -8.275 1.00 0.00 O ATOM 0 H GLU A 128 82.683 -5.831 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 128 81.503 -5.703 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 128 83.172 -3.637 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 128 84.207 -4.560 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 128 81.925 -4.349 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 128 81.850 -2.842 -7.151 1.00 0.00 H new ATOM 1537 N GLY A 129 82.599 -7.910 -6.465 1.00 0.00 N ATOM 1538 CA GLY A 129 83.327 -9.170 -6.781 1.00 0.00 C ATOM 1539 C GLY A 129 83.660 -9.942 -5.519 1.00 0.00 C ATOM 1540 O GLY A 129 84.234 -9.417 -4.588 1.00 0.00 O ATOM 0 H GLY A 129 81.582 -7.984 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 129 82.718 -9.790 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 129 84.245 -8.937 -7.321 1.00 0.00 H new ATOM 1544 N ARG A 130 83.323 -11.199 -5.496 1.00 0.00 N ATOM 1545 CA ARG A 130 83.642 -12.023 -4.305 1.00 0.00 C ATOM 1546 C ARG A 130 84.026 -13.442 -4.733 1.00 0.00 C ATOM 1547 O ARG A 130 84.099 -13.746 -5.908 1.00 0.00 O ATOM 1548 CB ARG A 130 82.366 -12.035 -3.459 1.00 0.00 C ATOM 1549 CG ARG A 130 81.140 -12.181 -4.364 1.00 0.00 C ATOM 1550 CD ARG A 130 81.179 -13.541 -5.064 1.00 0.00 C ATOM 1551 NE ARG A 130 79.773 -14.033 -5.024 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.918 -13.641 -5.930 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.444 -12.426 -5.897 1.00 0.00 N ATOM 1554 NH2 ARG A 130 78.537 -14.465 -6.867 1.00 0.00 N ATOM 0 H ARG A 130 82.841 -11.689 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 130 84.486 -11.622 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.401 -12.857 -2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.294 -11.114 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 130 80.227 -12.090 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.124 -11.380 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 130 81.536 -13.447 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 130 81.853 -14.229 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 130 79.478 -14.676 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.741 -11.782 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.776 -12.120 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 130 78.907 -15.415 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 130 77.869 -14.159 -7.575 1.00 0.00 H new ATOM 1568 N LYS A 131 84.271 -14.312 -3.793 1.00 0.00 N ATOM 1569 CA LYS A 131 84.651 -15.709 -4.152 1.00 0.00 C ATOM 1570 C LYS A 131 83.664 -16.702 -3.532 1.00 0.00 C ATOM 1571 O LYS A 131 84.046 -17.844 -3.337 1.00 0.00 O ATOM 1572 CB LYS A 131 86.048 -15.905 -3.563 1.00 0.00 C ATOM 1573 CG LYS A 131 87.093 -15.341 -4.527 1.00 0.00 C ATOM 1574 CD LYS A 131 87.925 -14.276 -3.810 1.00 0.00 C ATOM 1575 CE LYS A 131 89.286 -14.142 -4.494 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.953 -13.005 -3.798 1.00 0.00 N ATOM 1577 OXT LYS A 131 82.542 -16.303 -3.264 1.00 0.00 O ATOM 0 H LYS A 131 84.225 -14.117 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 131 84.636 -15.876 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.121 -15.404 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.235 -16.964 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 131 87.740 -16.141 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 131 86.603 -14.909 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 131 87.402 -13.320 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 131 88.058 -14.548 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 131 89.868 -15.059 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 131 89.175 -13.943 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.895 -12.850 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 89.379 -12.145 -3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 90.051 -13.226 -2.787 1.00 0.00 H new TER 1591 LYS A 131