USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1022 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 94 MET CE :methyl 180:sc= -1.41 (180deg=-1.41) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 76 THR OG1 : rot 145:sc=0.000561 USER MOD Set 3.2: A 88 LYS NZ :NH3+ -152:sc= 0.398 (180deg=0.0753) USER MOD Set 4.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 40 LYS NZ :NH3+ -170:sc= -0.0244 (180deg=-0.239) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0372 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.427 USER MOD Single : A 6 SER OG : rot 100:sc= 0.407 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc=-0.00807 F(o=-1,f=-0.0081) USER MOD Single : A 18 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.24) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= -0.303 (180deg=-1.64) USER MOD Single : A 30 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 167:sc= 0 (180deg=-0.139) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc=-0.00517 (180deg=-0.136) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -66:sc= 0.0218 USER MOD Single : A 49 CYS SG : rot 82:sc= -0.333 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.317 USER MOD Single : A 53 TYR OH : rot 165:sc= -0.0145 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -150:sc=0.000456 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HE2:sc= -0.944 F(o=-2.3!,f=-0.94) USER MOD Single : A 82 ASN :FLIP amide:sc= 0.598 F(o=-1,f=0.6) USER MOD Single : A 91 HIS : no HD1:sc= -9.93! C(o=-9.9!,f=-15!) USER MOD Single : A 93 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 11:sc= 0.0153 USER MOD Single : A 100 CYS SG : rot -97:sc= 1.77 USER MOD Single : A 101 THR OG1 : rot 116:sc= -0.251 USER MOD Single : A 103 THR OG1 : rot -111:sc= 0.0147 USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0396) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -112:sc= -0.497 (180deg=-4.36!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -131:sc= -0.216 (180deg=-1.54!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -53:sc= 0.432 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.046 -15.392 -6.760 1.00 0.00 N ATOM 2 CA GLY A 1 -14.781 -14.213 -5.956 1.00 0.00 C ATOM 3 C GLY A 1 -15.958 -13.831 -5.082 1.00 0.00 C ATOM 4 O GLY A 1 -16.765 -14.682 -4.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.257 -16.062 -6.664 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.925 -15.843 -6.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.147 -15.116 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.909 -14.394 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.533 -13.378 -6.612 1.00 0.00 H new ATOM 8 N SER A 2 -16.057 -12.546 -4.754 1.00 0.00 N ATOM 9 CA SER A 2 -17.142 -12.053 -3.914 1.00 0.00 C ATOM 10 C SER A 2 -18.098 -11.178 -4.718 1.00 0.00 C ATOM 11 O SER A 2 -17.865 -10.905 -5.896 1.00 0.00 O ATOM 12 CB SER A 2 -16.580 -11.261 -2.732 1.00 0.00 C ATOM 13 OG SER A 2 -15.570 -11.995 -2.060 1.00 0.00 O ATOM 0 H SER A 2 -15.399 -11.828 -5.057 1.00 0.00 H new ATOM 0 HA SER A 2 -17.695 -12.913 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.172 -10.314 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.384 -11.021 -2.036 1.00 0.00 H new ATOM 0 HG SER A 2 -15.226 -11.467 -1.310 1.00 0.00 H new ATOM 19 N SER A 3 -19.175 -10.741 -4.073 1.00 0.00 N ATOM 20 CA SER A 3 -20.170 -9.900 -4.729 1.00 0.00 C ATOM 21 C SER A 3 -19.936 -8.428 -4.403 1.00 0.00 C ATOM 22 O SER A 3 -20.417 -7.920 -3.391 1.00 0.00 O ATOM 23 CB SER A 3 -21.579 -10.311 -4.299 1.00 0.00 C ATOM 24 OG SER A 3 -21.989 -11.494 -4.962 1.00 0.00 O ATOM 0 H SER A 3 -19.381 -10.955 -3.097 1.00 0.00 H new ATOM 0 HA SER A 3 -20.072 -10.036 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.602 -10.468 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.279 -9.505 -4.519 1.00 0.00 H new ATOM 0 HG SER A 3 -22.892 -11.737 -4.669 1.00 0.00 H new ATOM 30 N GLY A 4 -19.191 -7.747 -5.269 1.00 0.00 N ATOM 31 CA GLY A 4 -18.905 -6.340 -5.057 1.00 0.00 C ATOM 32 C GLY A 4 -17.969 -5.774 -6.106 1.00 0.00 C ATOM 33 O GLY A 4 -16.748 -5.858 -5.968 1.00 0.00 O ATOM 0 H GLY A 4 -18.780 -8.145 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.839 -5.777 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.462 -6.207 -4.070 1.00 0.00 H new ATOM 37 N SER A 5 -18.540 -5.198 -7.158 1.00 0.00 N ATOM 38 CA SER A 5 -17.748 -4.620 -8.238 1.00 0.00 C ATOM 39 C SER A 5 -18.615 -3.747 -9.140 1.00 0.00 C ATOM 40 O SER A 5 -19.553 -4.230 -9.774 1.00 0.00 O ATOM 41 CB SER A 5 -17.087 -5.727 -9.062 1.00 0.00 C ATOM 42 OG SER A 5 -18.054 -6.627 -9.575 1.00 0.00 O ATOM 0 H SER A 5 -19.549 -5.119 -7.286 1.00 0.00 H new ATOM 0 HA SER A 5 -16.973 -3.995 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.524 -5.286 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.373 -6.270 -8.442 1.00 0.00 H new ATOM 0 HG SER A 5 -18.862 -6.132 -9.823 1.00 0.00 H new ATOM 48 N SER A 6 -18.292 -2.459 -9.193 1.00 0.00 N ATOM 49 CA SER A 6 -19.043 -1.516 -10.014 1.00 0.00 C ATOM 50 C SER A 6 -19.091 -1.980 -11.467 1.00 0.00 C ATOM 51 O SER A 6 -19.916 -1.515 -12.252 1.00 0.00 O ATOM 52 CB SER A 6 -18.415 -0.123 -9.932 1.00 0.00 C ATOM 53 OG SER A 6 -17.065 -0.146 -10.365 1.00 0.00 O ATOM 0 H SER A 6 -17.516 -2.044 -8.677 1.00 0.00 H new ATOM 0 HA SER A 6 -20.063 -1.470 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.986 0.573 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.465 0.242 -8.906 1.00 0.00 H new ATOM 0 HG SER A 6 -17.013 0.174 -11.290 1.00 0.00 H new ATOM 59 N GLY A 7 -18.199 -2.902 -11.817 1.00 0.00 N ATOM 60 CA GLY A 7 -18.156 -3.414 -13.174 1.00 0.00 C ATOM 61 C GLY A 7 -17.338 -2.535 -14.100 1.00 0.00 C ATOM 62 O GLY A 7 -16.331 -2.974 -14.656 1.00 0.00 O ATOM 0 H GLY A 7 -17.506 -3.303 -11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.735 -4.419 -13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.172 -3.497 -13.560 1.00 0.00 H new ATOM 66 N LYS A 8 -17.772 -1.291 -14.268 1.00 0.00 N ATOM 67 CA LYS A 8 -17.074 -0.347 -15.133 1.00 0.00 C ATOM 68 C LYS A 8 -16.152 0.557 -14.321 1.00 0.00 C ATOM 69 O LYS A 8 -16.391 0.799 -13.138 1.00 0.00 O ATOM 70 CB LYS A 8 -18.081 0.502 -15.913 1.00 0.00 C ATOM 71 CG LYS A 8 -18.699 -0.221 -17.097 1.00 0.00 C ATOM 72 CD LYS A 8 -20.039 0.383 -17.482 1.00 0.00 C ATOM 73 CE LYS A 8 -19.864 1.682 -18.253 1.00 0.00 C ATOM 74 NZ LYS A 8 -19.730 1.445 -19.717 1.00 0.00 N ATOM 0 H LYS A 8 -18.604 -0.912 -13.816 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.467 -0.917 -15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.875 0.820 -15.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.584 1.405 -16.268 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.020 -0.174 -17.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.831 -1.275 -16.852 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.599 -0.329 -18.089 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.627 0.568 -16.583 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.719 2.332 -18.067 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.980 2.205 -17.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.613 2.355 -20.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.900 0.845 -19.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.584 0.969 -20.071 1.00 0.00 H new ATOM 88 N ARG A 9 -15.100 1.052 -14.964 1.00 0.00 N ATOM 89 CA ARG A 9 -14.143 1.930 -14.301 1.00 0.00 C ATOM 90 C ARG A 9 -14.208 3.341 -14.878 1.00 0.00 C ATOM 91 O ARG A 9 -14.555 3.529 -16.044 1.00 0.00 O ATOM 92 CB ARG A 9 -12.725 1.373 -14.443 1.00 0.00 C ATOM 93 CG ARG A 9 -12.536 0.014 -13.790 1.00 0.00 C ATOM 94 CD ARG A 9 -11.226 -0.631 -14.215 1.00 0.00 C ATOM 95 NE ARG A 9 -11.367 -1.391 -15.455 1.00 0.00 N ATOM 96 CZ ARG A 9 -10.337 -1.856 -16.152 1.00 0.00 C ATOM 97 NH1 ARG A 9 -9.097 -1.641 -15.734 1.00 0.00 N ATOM 98 NH2 ARG A 9 -10.545 -2.539 -17.271 1.00 0.00 N ATOM 0 H ARG A 9 -14.888 0.860 -15.943 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.403 1.977 -13.244 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.479 1.295 -15.502 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.021 2.079 -14.003 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.553 0.125 -12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.367 -0.638 -14.057 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.468 0.141 -14.347 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.873 -1.292 -13.423 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.308 -1.574 -15.804 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.932 -1.117 -14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.308 -2.000 -16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.497 -2.707 -17.596 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.753 -2.896 -17.806 1.00 0.00 H new ATOM 112 N SER A 10 -13.872 4.328 -14.054 1.00 0.00 N ATOM 113 CA SER A 10 -13.896 5.722 -14.482 1.00 0.00 C ATOM 114 C SER A 10 -12.520 6.363 -14.322 1.00 0.00 C ATOM 115 O SER A 10 -11.629 5.795 -13.693 1.00 0.00 O ATOM 116 CB SER A 10 -14.933 6.506 -13.676 1.00 0.00 C ATOM 117 OG SER A 10 -15.234 7.743 -14.300 1.00 0.00 O ATOM 0 H SER A 10 -13.580 4.189 -13.087 1.00 0.00 H new ATOM 0 HA SER A 10 -14.170 5.749 -15.537 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.843 5.915 -13.575 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.556 6.685 -12.669 1.00 0.00 H new ATOM 0 HG SER A 10 -15.900 8.225 -13.767 1.00 0.00 H new ATOM 123 N ASN A 11 -12.357 7.549 -14.897 1.00 0.00 N ATOM 124 CA ASN A 11 -11.091 8.269 -14.820 1.00 0.00 C ATOM 125 C ASN A 11 -10.407 8.024 -13.478 1.00 0.00 C ATOM 126 O ASN A 11 -9.213 7.732 -13.422 1.00 0.00 O ATOM 127 CB ASN A 11 -11.318 9.768 -15.024 1.00 0.00 C ATOM 128 CG ASN A 11 -10.030 10.515 -15.308 1.00 0.00 C ATOM 129 OD1 ASN A 11 -8.936 9.992 -15.095 1.00 0.00 O ATOM 130 ND2 ASN A 11 -10.154 11.746 -15.791 1.00 0.00 N ATOM 0 H ASN A 11 -13.086 8.033 -15.422 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.442 7.897 -15.612 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.012 9.918 -15.851 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.788 10.186 -14.134 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.322 12.298 -16.001 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.081 12.140 -15.952 1.00 0.00 H new ATOM 137 N SER A 12 -11.174 8.146 -12.399 1.00 0.00 N ATOM 138 CA SER A 12 -10.642 7.941 -11.057 1.00 0.00 C ATOM 139 C SER A 12 -11.404 6.835 -10.333 1.00 0.00 C ATOM 140 O SER A 12 -12.511 6.468 -10.728 1.00 0.00 O ATOM 141 CB SER A 12 -10.719 9.240 -10.252 1.00 0.00 C ATOM 142 OG SER A 12 -12.035 9.468 -9.776 1.00 0.00 O ATOM 0 H SER A 12 -12.165 8.386 -12.428 1.00 0.00 H new ATOM 0 HA SER A 12 -9.599 7.639 -11.149 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.028 9.192 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.404 10.077 -10.875 1.00 0.00 H new ATOM 0 HG SER A 12 -12.057 10.303 -9.263 1.00 0.00 H new ATOM 148 N ILE A 13 -10.802 6.307 -9.273 1.00 0.00 N ATOM 149 CA ILE A 13 -11.423 5.244 -8.493 1.00 0.00 C ATOM 150 C ILE A 13 -11.603 5.662 -7.038 1.00 0.00 C ATOM 151 O ILE A 13 -10.684 6.195 -6.415 1.00 0.00 O ATOM 152 CB ILE A 13 -10.591 3.949 -8.544 1.00 0.00 C ATOM 153 CG1 ILE A 13 -10.379 3.510 -9.995 1.00 0.00 C ATOM 154 CG2 ILE A 13 -11.275 2.848 -7.747 1.00 0.00 C ATOM 155 CD1 ILE A 13 -9.209 2.569 -10.176 1.00 0.00 C ATOM 0 H ILE A 13 -9.885 6.598 -8.935 1.00 0.00 H new ATOM 0 HA ILE A 13 -12.400 5.057 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.616 4.143 -8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.285 3.023 -10.355 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.224 4.393 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.675 1.939 -7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.380 3.162 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.261 2.653 -8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.118 2.299 -11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.293 3.060 -9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.371 1.669 -9.584 1.00 0.00 H new ATOM 167 N LYS A 14 -12.793 5.416 -6.500 1.00 0.00 N ATOM 168 CA LYS A 14 -13.094 5.764 -5.116 1.00 0.00 C ATOM 169 C LYS A 14 -13.032 4.531 -4.220 1.00 0.00 C ATOM 170 O LYS A 14 -13.648 3.507 -4.514 1.00 0.00 O ATOM 171 CB LYS A 14 -14.479 6.408 -5.021 1.00 0.00 C ATOM 172 CG LYS A 14 -14.784 6.995 -3.654 1.00 0.00 C ATOM 173 CD LYS A 14 -14.154 8.367 -3.483 1.00 0.00 C ATOM 174 CE LYS A 14 -14.972 9.245 -2.549 1.00 0.00 C ATOM 175 NZ LYS A 14 -16.039 9.987 -3.277 1.00 0.00 N ATOM 0 H LYS A 14 -13.565 4.977 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.344 6.478 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.557 7.195 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.235 5.661 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.863 7.070 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.414 6.325 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.144 8.258 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.066 8.852 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.424 8.627 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.313 9.955 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.574 10.574 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.606 10.596 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.683 9.310 -3.734 1.00 0.00 H new ATOM 189 N ARG A 15 -12.287 4.639 -3.125 1.00 0.00 N ATOM 190 CA ARG A 15 -12.145 3.533 -2.186 1.00 0.00 C ATOM 191 C ARG A 15 -13.469 3.239 -1.487 1.00 0.00 C ATOM 192 O ARG A 15 -14.479 3.890 -1.752 1.00 0.00 O ATOM 193 CB ARG A 15 -11.068 3.853 -1.147 1.00 0.00 C ATOM 194 CG ARG A 15 -9.675 3.401 -1.555 1.00 0.00 C ATOM 195 CD ARG A 15 -8.620 3.900 -0.580 1.00 0.00 C ATOM 196 NE ARG A 15 -8.506 3.037 0.592 1.00 0.00 N ATOM 197 CZ ARG A 15 -9.289 3.142 1.660 1.00 0.00 C ATOM 198 NH1 ARG A 15 -10.239 4.066 1.703 1.00 0.00 N ATOM 199 NH2 ARG A 15 -9.124 2.319 2.688 1.00 0.00 N ATOM 0 H ARG A 15 -11.773 5.481 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.847 2.648 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.054 4.928 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -11.333 3.377 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.643 2.312 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.450 3.769 -2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.656 3.954 -1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.870 4.912 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.786 2.314 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.371 4.699 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.838 4.144 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.396 1.605 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.725 2.400 3.508 1.00 0.00 H new ATOM 213 N ASN A 16 -13.456 2.255 -0.595 1.00 0.00 N ATOM 214 CA ASN A 16 -14.657 1.875 0.141 1.00 0.00 C ATOM 215 C ASN A 16 -14.354 1.708 1.627 1.00 0.00 C ATOM 216 O ASN A 16 -13.928 0.647 2.084 1.00 0.00 O ATOM 217 CB ASN A 16 -15.235 0.575 -0.422 1.00 0.00 C ATOM 218 CG ASN A 16 -16.723 0.442 -0.160 1.00 0.00 C ATOM 219 OD1 ASN A 16 -17.096 -0.543 0.648 1.00 0.00 O flip ATOM 220 ND2 ASN A 16 -17.527 1.217 -0.679 1.00 0.00 N flip ATOM 0 H ASN A 16 -12.628 1.706 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.392 2.672 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -15.053 0.535 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.714 -0.273 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.195 1.960 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.525 1.116 -0.494 1.00 0.00 H new ATOM 227 N PRO A 17 -14.578 2.781 2.401 1.00 0.00 N ATOM 228 CA PRO A 17 -14.338 2.778 3.847 1.00 0.00 C ATOM 229 C PRO A 17 -14.833 1.500 4.515 1.00 0.00 C ATOM 230 O PRO A 17 -14.093 0.844 5.246 1.00 0.00 O ATOM 231 CB PRO A 17 -15.138 3.985 4.342 1.00 0.00 C ATOM 232 CG PRO A 17 -15.175 4.917 3.180 1.00 0.00 C ATOM 233 CD PRO A 17 -15.085 4.078 1.923 1.00 0.00 C ATOM 0 HA PRO A 17 -13.275 2.828 4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.143 3.695 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.662 4.448 5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -16.095 5.502 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.347 5.625 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.057 3.974 1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.412 4.525 1.191 1.00 0.00 H new ATOM 241 N ASN A 18 -16.090 1.153 4.258 1.00 0.00 N ATOM 242 CA ASN A 18 -16.685 -0.047 4.836 1.00 0.00 C ATOM 243 C ASN A 18 -15.807 -1.268 4.575 1.00 0.00 C ATOM 244 O ASN A 18 -15.509 -2.037 5.488 1.00 0.00 O ATOM 245 CB ASN A 18 -18.083 -0.278 4.258 1.00 0.00 C ATOM 246 CG ASN A 18 -18.881 1.007 4.148 1.00 0.00 C ATOM 247 OD1 ASN A 18 -19.088 1.531 3.053 1.00 0.00 O ATOM 248 ND2 ASN A 18 -19.335 1.521 5.286 1.00 0.00 N ATOM 0 H ASN A 18 -16.716 1.685 3.654 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.764 0.099 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.995 -0.734 3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.622 -0.985 4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.879 2.384 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.139 1.053 6.171 1.00 0.00 H new ATOM 255 N ALA A 19 -15.397 -1.438 3.322 1.00 0.00 N ATOM 256 CA ALA A 19 -14.552 -2.563 2.941 1.00 0.00 C ATOM 257 C ALA A 19 -13.405 -2.748 3.930 1.00 0.00 C ATOM 258 O ALA A 19 -12.429 -1.997 3.932 1.00 0.00 O ATOM 259 CB ALA A 19 -14.011 -2.364 1.533 1.00 0.00 C ATOM 0 H ALA A 19 -15.636 -0.811 2.554 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.162 -3.466 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.382 -3.212 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.842 -2.290 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.421 -1.448 1.496 1.00 0.00 H new ATOM 265 N PRO A 20 -13.524 -3.769 4.791 1.00 0.00 N ATOM 266 CA PRO A 20 -12.506 -4.075 5.800 1.00 0.00 C ATOM 267 C PRO A 20 -11.096 -4.079 5.220 1.00 0.00 C ATOM 268 O PRO A 20 -10.829 -4.739 4.215 1.00 0.00 O ATOM 269 CB PRO A 20 -12.891 -5.477 6.279 1.00 0.00 C ATOM 270 CG PRO A 20 -14.361 -5.564 6.052 1.00 0.00 C ATOM 271 CD PRO A 20 -14.660 -4.704 4.845 1.00 0.00 C ATOM 0 HA PRO A 20 -12.484 -3.329 6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.358 -6.246 5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.644 -5.618 7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.666 -6.596 5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.910 -5.212 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.730 -5.301 3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.608 -4.177 4.954 1.00 0.00 H new ATOM 279 N VAL A 21 -10.195 -3.339 5.858 1.00 0.00 N ATOM 280 CA VAL A 21 -8.812 -3.259 5.406 1.00 0.00 C ATOM 281 C VAL A 21 -8.016 -4.481 5.851 1.00 0.00 C ATOM 282 O VAL A 21 -7.953 -4.795 7.039 1.00 0.00 O ATOM 283 CB VAL A 21 -8.121 -1.989 5.936 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.680 -1.923 5.454 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.890 -0.747 5.513 1.00 0.00 C ATOM 0 H VAL A 21 -10.399 -2.786 6.690 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.837 -3.223 4.317 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.113 -2.030 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.209 -1.019 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.136 -2.797 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.661 -1.906 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.387 0.141 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.932 -0.698 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.903 -0.792 5.914 1.00 0.00 H new ATOM 295 N VAL A 22 -7.409 -5.167 4.888 1.00 0.00 N ATOM 296 CA VAL A 22 -6.615 -6.354 5.180 1.00 0.00 C ATOM 297 C VAL A 22 -5.408 -6.010 6.045 1.00 0.00 C ATOM 298 O VAL A 22 -5.177 -6.631 7.083 1.00 0.00 O ATOM 299 CB VAL A 22 -6.128 -7.036 3.887 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.255 -8.238 4.213 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.311 -7.445 3.023 1.00 0.00 C ATOM 0 H VAL A 22 -7.452 -4.921 3.899 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.263 -7.042 5.723 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.526 -6.322 3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.921 -8.707 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.388 -7.913 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.829 -8.957 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.949 -7.925 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.941 -8.142 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.892 -6.561 2.760 1.00 0.00 H new ATOM 311 N ARG A 23 -4.641 -5.015 5.612 1.00 0.00 N ATOM 312 CA ARG A 23 -3.456 -4.587 6.346 1.00 0.00 C ATOM 313 C ARG A 23 -2.850 -3.335 5.719 1.00 0.00 C ATOM 314 O ARG A 23 -2.797 -3.205 4.496 1.00 0.00 O ATOM 315 CB ARG A 23 -2.417 -5.709 6.377 1.00 0.00 C ATOM 316 CG ARG A 23 -1.540 -5.693 7.619 1.00 0.00 C ATOM 317 CD ARG A 23 -0.588 -6.878 7.644 1.00 0.00 C ATOM 318 NE ARG A 23 0.662 -6.592 6.946 1.00 0.00 N ATOM 319 CZ ARG A 23 0.820 -6.733 5.634 1.00 0.00 C ATOM 320 NH1 ARG A 23 -0.188 -7.155 4.883 1.00 0.00 N ATOM 321 NH2 ARG A 23 1.988 -6.452 5.071 1.00 0.00 N ATOM 0 H ARG A 23 -4.819 -4.490 4.756 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.757 -4.351 7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.930 -6.669 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.783 -5.630 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.969 -4.765 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.168 -5.711 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.372 -7.147 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.071 -7.740 7.184 1.00 0.00 H new ATOM 0 HE ARG A 23 1.457 -6.266 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.088 -7.372 5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.064 -7.262 3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.766 -6.127 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.108 -6.561 4.064 1.00 0.00 H new ATOM 335 N ARG A 24 -2.397 -2.416 6.566 1.00 0.00 N ATOM 336 CA ARG A 24 -1.796 -1.174 6.095 1.00 0.00 C ATOM 337 C ARG A 24 -0.418 -0.966 6.716 1.00 0.00 C ATOM 338 O ARG A 24 -0.269 -0.966 7.937 1.00 0.00 O ATOM 339 CB ARG A 24 -2.702 0.014 6.429 1.00 0.00 C ATOM 340 CG ARG A 24 -3.022 0.138 7.910 1.00 0.00 C ATOM 341 CD ARG A 24 -4.312 0.910 8.137 1.00 0.00 C ATOM 342 NE ARG A 24 -4.982 0.505 9.370 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.558 0.845 10.583 1.00 0.00 C ATOM 344 NH1 ARG A 24 -3.472 1.593 10.724 1.00 0.00 N ATOM 345 NH2 ARG A 24 -5.222 0.438 11.657 1.00 0.00 N ATOM 0 H ARG A 24 -2.435 -2.508 7.581 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.681 -1.243 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.222 0.932 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.634 -0.082 5.871 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.109 -0.856 8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.201 0.641 8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.094 1.977 8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.982 0.753 7.292 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.821 -0.070 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.960 1.909 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.149 1.852 11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.058 -0.136 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.896 0.699 12.588 1.00 0.00 H new ATOM 359 N GLY A 25 0.588 -0.790 5.865 1.00 0.00 N ATOM 360 CA GLY A 25 1.941 -0.585 6.348 1.00 0.00 C ATOM 361 C GLY A 25 2.794 0.198 5.370 1.00 0.00 C ATOM 362 O GLY A 25 2.488 0.258 4.179 1.00 0.00 O ATOM 0 H GLY A 25 0.490 -0.786 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.907 -0.056 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.406 -1.552 6.537 1.00 0.00 H new ATOM 366 N TRP A 26 3.864 0.803 5.873 1.00 0.00 N ATOM 367 CA TRP A 26 4.762 1.589 5.034 1.00 0.00 C ATOM 368 C TRP A 26 5.567 0.687 4.105 1.00 0.00 C ATOM 369 O TRP A 26 6.593 0.131 4.498 1.00 0.00 O ATOM 370 CB TRP A 26 5.708 2.419 5.904 1.00 0.00 C ATOM 371 CG TRP A 26 5.025 3.554 6.607 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.560 3.561 7.891 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.731 4.845 6.064 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.993 4.779 8.179 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.086 5.585 7.075 1.00 0.00 C ATOM 376 CE3 TRP A 26 4.950 5.450 4.824 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.659 6.896 6.881 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.526 6.751 4.632 1.00 0.00 C ATOM 379 CH2 TRP A 26 3.887 7.463 5.656 1.00 0.00 C ATOM 0 H TRP A 26 4.131 0.765 6.857 1.00 0.00 H new ATOM 0 HA TRP A 26 4.157 2.260 4.424 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.173 1.769 6.645 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.509 2.816 5.281 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.628 2.731 8.579 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.571 5.041 9.070 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.442 4.910 4.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.166 7.446 7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.690 7.227 3.677 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.568 8.479 5.475 1.00 0.00 H new ATOM 390 N LEU A 27 5.097 0.547 2.870 1.00 0.00 N ATOM 391 CA LEU A 27 5.774 -0.287 1.884 1.00 0.00 C ATOM 392 C LEU A 27 6.674 0.554 0.984 1.00 0.00 C ATOM 393 O LEU A 27 6.317 1.668 0.600 1.00 0.00 O ATOM 394 CB LEU A 27 4.748 -1.042 1.036 1.00 0.00 C ATOM 395 CG LEU A 27 5.316 -2.050 0.035 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.661 -3.357 0.732 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.329 -2.291 -1.098 1.00 0.00 C ATOM 0 H LEU A 27 4.250 1.000 2.528 1.00 0.00 H new ATOM 0 HA LEU A 27 6.396 -1.006 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.069 -1.569 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.152 -0.312 0.488 1.00 0.00 H new ATOM 0 HG LEU A 27 6.231 -1.636 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.064 -4.062 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.405 -3.171 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.762 -3.776 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.750 -3.011 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.397 -2.683 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.132 -1.352 -1.615 1.00 0.00 H new ATOM 409 N TYR A 28 7.840 0.013 0.651 1.00 0.00 N ATOM 410 CA TYR A 28 8.791 0.714 -0.203 1.00 0.00 C ATOM 411 C TYR A 28 8.519 0.422 -1.676 1.00 0.00 C ATOM 412 O TYR A 28 8.183 -0.703 -2.047 1.00 0.00 O ATOM 413 CB TYR A 28 10.223 0.308 0.152 1.00 0.00 C ATOM 414 CG TYR A 28 10.518 0.366 1.634 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.803 1.574 2.259 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.512 -0.787 2.409 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.074 1.631 3.612 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.781 -0.739 3.763 1.00 0.00 C ATOM 419 CZ TYR A 28 11.062 0.472 4.360 1.00 0.00 C ATOM 420 OH TYR A 28 11.330 0.525 5.709 1.00 0.00 O ATOM 0 H TYR A 28 8.150 -0.909 0.959 1.00 0.00 H new ATOM 0 HA TYR A 28 8.671 1.784 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.404 -0.705 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.918 0.962 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.813 2.484 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.293 -1.737 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.294 2.578 4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.771 -1.645 4.351 1.00 0.00 H new ATOM 0 HH TYR A 28 11.280 -0.377 6.088 1.00 0.00 H new ATOM 430 N LYS A 29 8.666 1.445 -2.511 1.00 0.00 N ATOM 431 CA LYS A 29 8.439 1.301 -3.945 1.00 0.00 C ATOM 432 C LYS A 29 9.566 1.950 -4.742 1.00 0.00 C ATOM 433 O LYS A 29 10.044 3.028 -4.392 1.00 0.00 O ATOM 434 CB LYS A 29 7.098 1.926 -4.334 1.00 0.00 C ATOM 435 CG LYS A 29 6.879 2.010 -5.835 1.00 0.00 C ATOM 436 CD LYS A 29 5.402 2.105 -6.179 1.00 0.00 C ATOM 437 CE LYS A 29 4.933 3.552 -6.227 1.00 0.00 C ATOM 438 NZ LYS A 29 4.935 4.181 -4.878 1.00 0.00 N ATOM 0 H LYS A 29 8.941 2.383 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 29 8.419 0.237 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.292 1.342 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.037 2.928 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.403 2.880 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.310 1.132 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.221 1.630 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.819 1.557 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.580 4.121 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.928 3.594 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.083 4.767 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.943 3.439 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.781 4.777 -4.774 1.00 0.00 H new ATOM 452 N GLN A 30 9.983 1.287 -5.816 1.00 0.00 N ATOM 453 CA GLN A 30 11.053 1.801 -6.663 1.00 0.00 C ATOM 454 C GLN A 30 10.633 3.101 -7.341 1.00 0.00 C ATOM 455 O GLN A 30 9.444 3.360 -7.526 1.00 0.00 O ATOM 456 CB GLN A 30 11.440 0.763 -7.718 1.00 0.00 C ATOM 457 CG GLN A 30 12.852 0.938 -8.253 1.00 0.00 C ATOM 458 CD GLN A 30 13.421 -0.345 -8.827 1.00 0.00 C ATOM 459 OE1 GLN A 30 13.285 -0.620 -10.019 1.00 0.00 O ATOM 460 NE2 GLN A 30 14.064 -1.139 -7.978 1.00 0.00 N ATOM 0 H GLN A 30 9.596 0.393 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 30 11.917 2.005 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.344 -0.234 -7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.736 0.821 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.851 1.708 -9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.500 1.291 -7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.153 -0.872 -6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.469 -2.016 -8.306 1.00 0.00 H new ATOM 469 N ASP A 31 11.617 3.914 -7.709 1.00 0.00 N ATOM 470 CA ASP A 31 11.350 5.188 -8.367 1.00 0.00 C ATOM 471 C ASP A 31 11.838 5.165 -9.812 1.00 0.00 C ATOM 472 O ASP A 31 13.032 5.017 -10.072 1.00 0.00 O ATOM 473 CB ASP A 31 12.023 6.331 -7.606 1.00 0.00 C ATOM 474 CG ASP A 31 11.385 7.675 -7.898 1.00 0.00 C ATOM 475 OD1 ASP A 31 10.428 8.043 -7.186 1.00 0.00 O ATOM 476 OD2 ASP A 31 11.843 8.358 -8.838 1.00 0.00 O ATOM 0 H ASP A 31 12.606 3.714 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 31 10.272 5.349 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.970 6.132 -6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.079 6.368 -7.872 1.00 0.00 H new ATOM 481 N SER A 32 10.906 5.312 -10.749 1.00 0.00 N ATOM 482 CA SER A 32 11.241 5.303 -12.168 1.00 0.00 C ATOM 483 C SER A 32 12.190 6.448 -12.509 1.00 0.00 C ATOM 484 O SER A 32 13.263 6.235 -13.076 1.00 0.00 O ATOM 485 CB SER A 32 9.971 5.409 -13.014 1.00 0.00 C ATOM 486 OG SER A 32 10.216 5.015 -14.353 1.00 0.00 O ATOM 0 H SER A 32 9.914 5.439 -10.551 1.00 0.00 H new ATOM 0 HA SER A 32 11.741 4.361 -12.392 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.190 4.781 -12.584 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.602 6.435 -12.995 1.00 0.00 H new ATOM 0 HG SER A 32 9.389 5.090 -14.873 1.00 0.00 H new ATOM 492 N THR A 33 11.788 7.666 -12.160 1.00 0.00 N ATOM 493 CA THR A 33 12.600 8.846 -12.430 1.00 0.00 C ATOM 494 C THR A 33 13.605 9.089 -11.310 1.00 0.00 C ATOM 495 O THR A 33 13.345 9.856 -10.384 1.00 0.00 O ATOM 496 CB THR A 33 11.725 10.103 -12.600 1.00 0.00 C ATOM 497 OG1 THR A 33 12.555 11.255 -12.787 1.00 0.00 O ATOM 498 CG2 THR A 33 10.830 10.308 -11.387 1.00 0.00 C ATOM 0 H THR A 33 10.904 7.861 -11.689 1.00 0.00 H new ATOM 0 HA THR A 33 13.135 8.656 -13.360 1.00 0.00 H new ATOM 0 HB THR A 33 11.094 9.964 -13.478 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.992 12.050 -12.896 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.222 11.201 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.180 9.442 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.446 10.428 -10.496 1.00 0.00 H new ATOM 506 N GLY A 34 14.757 8.430 -11.402 1.00 0.00 N ATOM 507 CA GLY A 34 15.785 8.588 -10.390 1.00 0.00 C ATOM 508 C GLY A 34 16.875 7.541 -10.502 1.00 0.00 C ATOM 509 O GLY A 34 17.490 7.386 -11.556 1.00 0.00 O ATOM 0 H GLY A 34 14.996 7.790 -12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.228 9.580 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.329 8.529 -9.402 1.00 0.00 H new ATOM 513 N MET A 35 17.115 6.821 -9.411 1.00 0.00 N ATOM 514 CA MET A 35 18.139 5.783 -9.391 1.00 0.00 C ATOM 515 C MET A 35 17.545 4.441 -8.975 1.00 0.00 C ATOM 516 O MET A 35 18.160 3.684 -8.223 1.00 0.00 O ATOM 517 CB MET A 35 19.271 6.170 -8.438 1.00 0.00 C ATOM 518 CG MET A 35 20.264 7.151 -9.040 1.00 0.00 C ATOM 519 SD MET A 35 21.676 7.459 -7.963 1.00 0.00 S ATOM 520 CE MET A 35 22.600 5.939 -8.171 1.00 0.00 C ATOM 0 H MET A 35 16.615 6.937 -8.530 1.00 0.00 H new ATOM 0 HA MET A 35 18.541 5.686 -10.400 1.00 0.00 H new ATOM 0 HB2 MET A 35 18.842 6.607 -7.536 1.00 0.00 H new ATOM 0 HB3 MET A 35 19.803 5.268 -8.133 1.00 0.00 H new ATOM 0 HG2 MET A 35 20.618 6.763 -9.995 1.00 0.00 H new ATOM 0 HG3 MET A 35 19.757 8.094 -9.247 1.00 0.00 H new ATOM 0 HE1 MET A 35 23.601 6.063 -7.759 1.00 0.00 H new ATOM 0 HE2 MET A 35 22.090 5.129 -7.649 1.00 0.00 H new ATOM 0 HE3 MET A 35 22.671 5.699 -9.232 1.00 0.00 H new ATOM 530 N LYS A 36 16.345 4.152 -9.467 1.00 0.00 N ATOM 531 CA LYS A 36 15.667 2.901 -9.147 1.00 0.00 C ATOM 532 C LYS A 36 15.807 2.570 -7.665 1.00 0.00 C ATOM 533 O LYS A 36 15.959 1.407 -7.289 1.00 0.00 O ATOM 534 CB LYS A 36 16.237 1.758 -9.991 1.00 0.00 C ATOM 535 CG LYS A 36 16.063 1.961 -11.486 1.00 0.00 C ATOM 536 CD LYS A 36 14.613 1.790 -11.907 1.00 0.00 C ATOM 537 CE LYS A 36 14.465 1.814 -13.421 1.00 0.00 C ATOM 538 NZ LYS A 36 15.042 0.596 -14.054 1.00 0.00 N ATOM 0 H LYS A 36 15.821 4.768 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 36 14.608 3.022 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 36 17.298 1.648 -9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.752 0.826 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.408 2.958 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.686 1.248 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.229 0.847 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.010 2.585 -11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.410 1.893 -13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.959 2.700 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.747 0.549 -15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.080 0.636 -14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.703 -0.250 -13.552 1.00 0.00 H new ATOM 552 N LEU A 37 15.752 3.599 -6.826 1.00 0.00 N ATOM 553 CA LEU A 37 15.871 3.418 -5.384 1.00 0.00 C ATOM 554 C LEU A 37 14.508 3.146 -4.755 1.00 0.00 C ATOM 555 O LEU A 37 13.470 3.399 -5.367 1.00 0.00 O ATOM 556 CB LEU A 37 16.502 4.656 -4.744 1.00 0.00 C ATOM 557 CG LEU A 37 17.965 4.924 -5.102 1.00 0.00 C ATOM 558 CD1 LEU A 37 18.393 6.296 -4.605 1.00 0.00 C ATOM 559 CD2 LEU A 37 18.863 3.841 -4.521 1.00 0.00 C ATOM 0 H LEU A 37 15.626 4.567 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 37 16.513 2.556 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.913 5.528 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.425 4.560 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 37 18.063 4.906 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.436 6.469 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.770 7.061 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.280 6.342 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.900 4.048 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.761 3.827 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.572 2.871 -4.925 1.00 0.00 H new ATOM 571 N TRP A 38 14.519 2.632 -3.531 1.00 0.00 N ATOM 572 CA TRP A 38 13.283 2.328 -2.819 1.00 0.00 C ATOM 573 C TRP A 38 12.833 3.518 -1.977 1.00 0.00 C ATOM 574 O TRP A 38 13.506 3.905 -1.022 1.00 0.00 O ATOM 575 CB TRP A 38 13.472 1.100 -1.927 1.00 0.00 C ATOM 576 CG TRP A 38 14.077 -0.068 -2.646 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.406 -0.363 -2.758 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.375 -1.095 -3.355 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.572 -1.512 -3.493 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.342 -1.981 -3.870 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.024 -1.354 -3.602 1.00 0.00 C ATOM 582 CZ2 TRP A 38 13.998 -3.104 -4.618 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.685 -2.469 -4.345 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.668 -3.333 -4.845 1.00 0.00 C ATOM 0 H TRP A 38 15.370 2.417 -3.011 1.00 0.00 H new ATOM 0 HA TRP A 38 12.510 2.116 -3.558 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.108 1.367 -1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.506 0.805 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.208 0.221 -2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.467 -1.945 -3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.259 -0.695 -3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.754 -3.771 -5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.644 -2.678 -4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.370 -4.197 -5.421 1.00 0.00 H new ATOM 595 N LYS A 39 11.691 4.094 -2.337 1.00 0.00 N ATOM 596 CA LYS A 39 11.150 5.239 -1.614 1.00 0.00 C ATOM 597 C LYS A 39 10.085 4.798 -0.616 1.00 0.00 C ATOM 598 O LYS A 39 9.363 3.828 -0.849 1.00 0.00 O ATOM 599 CB LYS A 39 10.556 6.253 -2.595 1.00 0.00 C ATOM 600 CG LYS A 39 11.564 7.269 -3.103 1.00 0.00 C ATOM 601 CD LYS A 39 12.558 6.637 -4.062 1.00 0.00 C ATOM 602 CE LYS A 39 13.787 6.120 -3.331 1.00 0.00 C ATOM 603 NZ LYS A 39 14.804 7.189 -3.130 1.00 0.00 N ATOM 0 H LYS A 39 11.122 3.786 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 39 11.966 5.709 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.132 5.718 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.735 6.780 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.040 8.083 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.098 7.706 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.079 5.816 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.860 7.370 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.490 5.715 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.229 5.301 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.626 6.796 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.106 7.559 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.391 7.960 -2.567 1.00 0.00 H new ATOM 617 N LYS A 40 9.992 5.516 0.498 1.00 0.00 N ATOM 618 CA LYS A 40 9.013 5.201 1.533 1.00 0.00 C ATOM 619 C LYS A 40 7.648 5.786 1.186 1.00 0.00 C ATOM 620 O LYS A 40 7.546 6.933 0.749 1.00 0.00 O ATOM 621 CB LYS A 40 9.481 5.739 2.887 1.00 0.00 C ATOM 622 CG LYS A 40 8.522 5.437 4.025 1.00 0.00 C ATOM 623 CD LYS A 40 8.849 4.112 4.693 1.00 0.00 C ATOM 624 CE LYS A 40 8.465 4.120 6.165 1.00 0.00 C ATOM 625 NZ LYS A 40 8.752 2.814 6.821 1.00 0.00 N ATOM 0 H LYS A 40 10.583 6.321 0.708 1.00 0.00 H new ATOM 0 HA LYS A 40 8.920 4.117 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.456 5.311 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.616 6.818 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.567 6.238 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.501 5.411 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.322 3.306 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.915 3.907 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.011 4.912 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.404 4.350 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.325 2.801 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.351 2.043 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.781 2.685 6.902 1.00 0.00 H new ATOM 639 N ARG A 41 6.601 4.992 1.384 1.00 0.00 N ATOM 640 CA ARG A 41 5.242 5.431 1.092 1.00 0.00 C ATOM 641 C ARG A 41 4.224 4.608 1.876 1.00 0.00 C ATOM 642 O ARG A 41 4.437 3.424 2.136 1.00 0.00 O ATOM 643 CB ARG A 41 4.958 5.320 -0.407 1.00 0.00 C ATOM 644 CG ARG A 41 3.655 5.978 -0.831 1.00 0.00 C ATOM 645 CD ARG A 41 3.796 7.489 -0.917 1.00 0.00 C ATOM 646 NE ARG A 41 4.899 7.887 -1.788 1.00 0.00 N ATOM 647 CZ ARG A 41 5.524 9.056 -1.696 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.156 9.937 -0.776 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.519 9.345 -2.524 1.00 0.00 N ATOM 0 H ARG A 41 6.668 4.041 1.746 1.00 0.00 H new ATOM 0 HA ARG A 41 5.151 6.474 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.781 5.775 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.931 4.267 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.346 5.585 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.870 5.725 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.866 7.919 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.958 7.895 0.081 1.00 0.00 H new ATOM 0 HE ARG A 41 5.206 7.231 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.392 9.718 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.637 10.834 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.805 8.670 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.998 10.243 -2.452 1.00 0.00 H new ATOM 663 N TRP A 42 3.119 5.244 2.250 1.00 0.00 N ATOM 664 CA TRP A 42 2.069 4.570 3.005 1.00 0.00 C ATOM 665 C TRP A 42 1.166 3.761 2.079 1.00 0.00 C ATOM 666 O TRP A 42 0.359 4.322 1.338 1.00 0.00 O ATOM 667 CB TRP A 42 1.237 5.592 3.783 1.00 0.00 C ATOM 668 CG TRP A 42 0.227 4.964 4.695 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.119 5.195 4.711 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.483 4.002 5.725 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.715 4.436 5.688 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.754 3.695 6.324 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.636 3.369 6.197 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.868 2.784 7.371 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.521 2.466 7.237 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.277 2.179 7.814 1.00 0.00 C ATOM 0 H TRP A 42 2.927 6.224 2.043 1.00 0.00 H new ATOM 0 HA TRP A 42 2.543 3.886 3.708 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.905 6.222 4.371 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.723 6.244 3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.638 5.875 4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.712 4.426 5.905 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.599 3.582 5.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.826 2.563 7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.406 1.973 7.612 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.220 1.467 8.624 1.00 0.00 H new ATOM 687 N PHE A 43 1.308 2.441 2.127 1.00 0.00 N ATOM 688 CA PHE A 43 0.506 1.555 1.292 1.00 0.00 C ATOM 689 C PHE A 43 -0.580 0.868 2.115 1.00 0.00 C ATOM 690 O PHE A 43 -0.343 0.443 3.246 1.00 0.00 O ATOM 691 CB PHE A 43 1.396 0.505 0.624 1.00 0.00 C ATOM 692 CG PHE A 43 2.016 0.974 -0.661 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.339 0.837 -1.862 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.274 1.553 -0.668 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.907 1.267 -3.046 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.848 1.986 -1.849 1.00 0.00 C ATOM 697 CZ PHE A 43 3.163 1.844 -3.039 1.00 0.00 C ATOM 0 H PHE A 43 1.971 1.961 2.735 1.00 0.00 H new ATOM 0 HA PHE A 43 0.027 2.158 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.187 0.218 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.804 -0.389 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.356 0.389 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.813 1.668 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.370 1.152 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.830 2.434 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.608 2.183 -3.963 1.00 0.00 H new ATOM 707 N VAL A 44 -1.774 0.764 1.539 1.00 0.00 N ATOM 708 CA VAL A 44 -2.897 0.129 2.217 1.00 0.00 C ATOM 709 C VAL A 44 -3.569 -0.904 1.319 1.00 0.00 C ATOM 710 O VAL A 44 -3.873 -0.629 0.158 1.00 0.00 O ATOM 711 CB VAL A 44 -3.946 1.168 2.659 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.231 0.479 3.091 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.394 2.037 3.779 1.00 0.00 C ATOM 0 H VAL A 44 -1.988 1.112 0.604 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.494 -0.368 3.099 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.176 1.812 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.960 1.229 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.633 -0.097 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.022 -0.190 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.147 2.765 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.135 1.410 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.504 2.559 3.429 1.00 0.00 H new ATOM 723 N LEU A 45 -3.798 -2.093 1.864 1.00 0.00 N ATOM 724 CA LEU A 45 -4.435 -3.169 1.112 1.00 0.00 C ATOM 725 C LEU A 45 -5.924 -3.249 1.432 1.00 0.00 C ATOM 726 O LEU A 45 -6.319 -3.783 2.469 1.00 0.00 O ATOM 727 CB LEU A 45 -3.761 -4.506 1.427 1.00 0.00 C ATOM 728 CG LEU A 45 -3.770 -5.543 0.304 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.153 -6.160 0.157 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.324 -4.913 -1.007 1.00 0.00 C ATOM 0 H LEU A 45 -3.552 -2.337 2.823 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.322 -2.953 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.726 -4.311 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.250 -4.940 2.299 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.067 -6.335 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.140 -6.896 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.435 -6.648 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.877 -5.379 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.336 -5.666 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.002 -4.101 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.313 -4.520 -0.897 1.00 0.00 H new ATOM 742 N SER A 46 -6.747 -2.718 0.533 1.00 0.00 N ATOM 743 CA SER A 46 -8.193 -2.728 0.720 1.00 0.00 C ATOM 744 C SER A 46 -8.909 -3.003 -0.598 1.00 0.00 C ATOM 745 O SER A 46 -8.392 -2.702 -1.674 1.00 0.00 O ATOM 746 CB SER A 46 -8.663 -1.392 1.300 1.00 0.00 C ATOM 747 OG SER A 46 -8.962 -0.466 0.269 1.00 0.00 O ATOM 0 H SER A 46 -6.437 -2.275 -0.332 1.00 0.00 H new ATOM 0 HA SER A 46 -8.438 -3.526 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.547 -1.551 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.890 -0.981 1.949 1.00 0.00 H new ATOM 0 HG SER A 46 -8.141 -0.238 -0.214 1.00 0.00 H new ATOM 753 N ASP A 47 -10.103 -3.579 -0.506 1.00 0.00 N ATOM 754 CA ASP A 47 -10.893 -3.895 -1.691 1.00 0.00 C ATOM 755 C ASP A 47 -10.018 -4.511 -2.779 1.00 0.00 C ATOM 756 O ASP A 47 -9.999 -4.038 -3.916 1.00 0.00 O ATOM 757 CB ASP A 47 -11.580 -2.636 -2.223 1.00 0.00 C ATOM 758 CG ASP A 47 -12.587 -2.944 -3.313 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.465 -3.802 -3.085 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.498 -2.327 -4.396 1.00 0.00 O ATOM 0 H ASP A 47 -10.545 -3.837 0.376 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.654 -4.622 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.083 -2.125 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.827 -1.951 -2.611 1.00 0.00 H new ATOM 765 N LEU A 48 -9.294 -5.566 -2.422 1.00 0.00 N ATOM 766 CA LEU A 48 -8.416 -6.246 -3.367 1.00 0.00 C ATOM 767 C LEU A 48 -7.761 -5.249 -4.317 1.00 0.00 C ATOM 768 O LEU A 48 -7.776 -5.434 -5.535 1.00 0.00 O ATOM 769 CB LEU A 48 -9.202 -7.288 -4.165 1.00 0.00 C ATOM 770 CG LEU A 48 -9.648 -8.530 -3.393 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.498 -9.086 -2.567 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.838 -8.205 -2.502 1.00 0.00 C ATOM 0 H LEU A 48 -9.298 -5.969 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.632 -6.748 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.087 -6.806 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.589 -7.609 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.954 -9.291 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.834 -9.970 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.674 -9.357 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.161 -8.330 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.142 -9.101 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.558 -7.428 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.667 -7.854 -3.116 1.00 0.00 H new ATOM 784 N CYS A 49 -7.186 -4.192 -3.753 1.00 0.00 N ATOM 785 CA CYS A 49 -6.524 -3.166 -4.550 1.00 0.00 C ATOM 786 C CYS A 49 -5.409 -2.495 -3.754 1.00 0.00 C ATOM 787 O CYS A 49 -5.213 -2.785 -2.573 1.00 0.00 O ATOM 788 CB CYS A 49 -7.537 -2.118 -5.013 1.00 0.00 C ATOM 789 SG CYS A 49 -8.799 -2.759 -6.138 1.00 0.00 S ATOM 0 H CYS A 49 -7.165 -4.024 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.084 -3.647 -5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.028 -1.691 -4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.004 -1.306 -5.507 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.738 -3.339 -5.451 1.00 0.00 H new ATOM 795 N LEU A 50 -4.680 -1.598 -4.409 1.00 0.00 N ATOM 796 CA LEU A 50 -3.582 -0.886 -3.763 1.00 0.00 C ATOM 797 C LEU A 50 -3.854 0.614 -3.723 1.00 0.00 C ATOM 798 O LEU A 50 -4.312 1.199 -4.705 1.00 0.00 O ATOM 799 CB LEU A 50 -2.269 -1.158 -4.499 1.00 0.00 C ATOM 800 CG LEU A 50 -1.464 -2.363 -4.013 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.118 -2.427 -4.719 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.274 -2.304 -2.504 1.00 0.00 C ATOM 0 H LEU A 50 -4.829 -1.346 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.499 -1.249 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.491 -1.298 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.641 -0.271 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.021 -3.268 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.441 -3.291 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.275 -2.517 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.446 -1.518 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.699 -3.170 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.739 -1.392 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.248 -2.308 -2.014 1.00 0.00 H new ATOM 814 N PHE A 51 -3.568 1.232 -2.582 1.00 0.00 N ATOM 815 CA PHE A 51 -3.781 2.665 -2.414 1.00 0.00 C ATOM 816 C PHE A 51 -2.659 3.288 -1.589 1.00 0.00 C ATOM 817 O PHE A 51 -2.243 2.737 -0.569 1.00 0.00 O ATOM 818 CB PHE A 51 -5.130 2.926 -1.740 1.00 0.00 C ATOM 819 CG PHE A 51 -6.302 2.408 -2.525 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.686 3.021 -3.707 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.019 1.310 -2.080 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.763 2.547 -4.431 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.098 0.831 -2.800 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.471 1.451 -3.977 1.00 0.00 C ATOM 0 H PHE A 51 -3.188 0.763 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.781 3.126 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.130 2.462 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.250 3.999 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.137 3.879 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.732 0.822 -1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.051 3.033 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.649 -0.027 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.314 1.080 -4.541 1.00 0.00 H new ATOM 834 N TYR A 52 -2.173 4.440 -2.037 1.00 0.00 N ATOM 835 CA TYR A 52 -1.097 5.138 -1.344 1.00 0.00 C ATOM 836 C TYR A 52 -1.416 6.623 -1.197 1.00 0.00 C ATOM 837 O TYR A 52 -2.054 7.221 -2.065 1.00 0.00 O ATOM 838 CB TYR A 52 0.223 4.960 -2.096 1.00 0.00 C ATOM 839 CG TYR A 52 0.127 5.280 -3.571 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.070 6.595 -4.014 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.092 4.266 -4.521 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.018 6.892 -5.360 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.006 4.554 -5.869 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.050 5.868 -6.284 1.00 0.00 C ATOM 845 OH TYR A 52 -0.137 6.159 -7.626 1.00 0.00 O ATOM 0 H TYR A 52 -2.508 4.911 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.001 4.706 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.979 5.600 -1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.563 3.931 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.095 7.399 -3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.133 3.236 -4.200 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.062 7.920 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.017 3.754 -6.594 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.148 5.326 -8.141 1.00 0.00 H new ATOM 855 N TYR A 53 -0.968 7.211 -0.094 1.00 0.00 N ATOM 856 CA TYR A 53 -1.206 8.626 0.168 1.00 0.00 C ATOM 857 C TYR A 53 0.086 9.330 0.571 1.00 0.00 C ATOM 858 O TYR A 53 1.095 8.685 0.856 1.00 0.00 O ATOM 859 CB TYR A 53 -2.256 8.792 1.268 1.00 0.00 C ATOM 860 CG TYR A 53 -3.320 7.718 1.257 1.00 0.00 C ATOM 861 CD1 TYR A 53 -2.995 6.389 1.496 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.650 8.033 1.009 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.964 5.404 1.487 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.626 7.056 0.999 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.278 5.743 1.238 1.00 0.00 C ATOM 866 OH TYR A 53 -6.247 4.765 1.229 1.00 0.00 O ATOM 0 H TYR A 53 -0.438 6.730 0.633 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.576 9.083 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.758 8.788 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.733 9.766 1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.967 6.121 1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.926 9.060 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.694 4.375 1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.656 7.319 0.805 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.133 5.182 1.280 1.00 0.00 H new ATOM 876 N ARG A 54 0.045 10.658 0.594 1.00 0.00 N ATOM 877 CA ARG A 54 1.212 11.452 0.961 1.00 0.00 C ATOM 878 C ARG A 54 1.831 10.940 2.259 1.00 0.00 C ATOM 879 O ARG A 54 3.046 10.765 2.352 1.00 0.00 O ATOM 880 CB ARG A 54 0.826 12.924 1.114 1.00 0.00 C ATOM 881 CG ARG A 54 0.672 13.654 -0.211 1.00 0.00 C ATOM 882 CD ARG A 54 0.230 15.095 -0.005 1.00 0.00 C ATOM 883 NE ARG A 54 0.462 15.913 -1.192 1.00 0.00 N ATOM 884 CZ ARG A 54 0.031 17.163 -1.319 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.650 17.735 -0.336 1.00 0.00 N ATOM 886 NH2 ARG A 54 0.282 17.843 -2.430 1.00 0.00 N ATOM 0 H ARG A 54 -0.783 11.207 0.363 1.00 0.00 H new ATOM 0 HA ARG A 54 1.950 11.358 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.111 12.990 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.584 13.430 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.619 13.636 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.057 13.134 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.830 15.116 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.769 15.522 0.841 1.00 0.00 H new ATOM 0 HE ARG A 54 0.984 15.502 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.844 17.215 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.980 18.695 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.806 17.406 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.050 18.803 -2.526 1.00 0.00 H new ATOM 900 N ASP A 55 0.987 10.703 3.257 1.00 0.00 N ATOM 901 CA ASP A 55 1.451 10.211 4.549 1.00 0.00 C ATOM 902 C ASP A 55 0.352 9.424 5.257 1.00 0.00 C ATOM 903 O ASP A 55 -0.750 9.270 4.732 1.00 0.00 O ATOM 904 CB ASP A 55 1.909 11.376 5.428 1.00 0.00 C ATOM 905 CG ASP A 55 3.241 11.947 4.984 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.139 11.154 4.633 1.00 0.00 O ATOM 907 OD2 ASP A 55 3.385 13.187 4.988 1.00 0.00 O ATOM 0 H ASP A 55 -0.021 10.843 3.196 1.00 0.00 H new ATOM 0 HA ASP A 55 2.296 9.544 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.154 12.162 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.988 11.039 6.461 1.00 0.00 H new ATOM 912 N GLU A 56 0.661 8.929 6.451 1.00 0.00 N ATOM 913 CA GLU A 56 -0.300 8.157 7.230 1.00 0.00 C ATOM 914 C GLU A 56 -1.591 8.945 7.436 1.00 0.00 C ATOM 915 O GLU A 56 -2.623 8.383 7.803 1.00 0.00 O ATOM 916 CB GLU A 56 0.298 7.773 8.584 1.00 0.00 C ATOM 917 CG GLU A 56 0.834 8.957 9.371 1.00 0.00 C ATOM 918 CD GLU A 56 0.785 8.732 10.870 1.00 0.00 C ATOM 919 OE1 GLU A 56 -0.324 8.519 11.403 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.857 8.769 11.510 1.00 0.00 O ATOM 0 H GLU A 56 1.569 9.049 6.900 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.534 7.249 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.464 7.268 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.105 7.058 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.863 9.152 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.255 9.846 9.122 1.00 0.00 H new ATOM 927 N LYS A 57 -1.524 10.251 7.199 1.00 0.00 N ATOM 928 CA LYS A 57 -2.686 11.118 7.358 1.00 0.00 C ATOM 929 C LYS A 57 -3.831 10.664 6.457 1.00 0.00 C ATOM 930 O LYS A 57 -4.961 11.132 6.592 1.00 0.00 O ATOM 931 CB LYS A 57 -2.314 12.567 7.036 1.00 0.00 C ATOM 932 CG LYS A 57 -1.441 13.220 8.094 1.00 0.00 C ATOM 933 CD LYS A 57 -1.659 14.723 8.146 1.00 0.00 C ATOM 934 CE LYS A 57 -0.615 15.407 9.016 1.00 0.00 C ATOM 935 NZ LYS A 57 -0.813 16.883 9.062 1.00 0.00 N ATOM 0 H LYS A 57 -0.677 10.732 6.896 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.016 11.055 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.793 12.596 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.227 13.151 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.662 12.785 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.393 13.010 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.619 15.133 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.655 14.934 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.663 15.002 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.380 15.186 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.082 17.313 9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.742 17.273 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.753 17.095 9.453 1.00 0.00 H new ATOM 949 N GLU A 58 -3.530 9.749 5.541 1.00 0.00 N ATOM 950 CA GLU A 58 -4.536 9.233 4.620 1.00 0.00 C ATOM 951 C GLU A 58 -5.443 10.353 4.121 1.00 0.00 C ATOM 952 O GLU A 58 -6.668 10.249 4.186 1.00 0.00 O ATOM 953 CB GLU A 58 -5.373 8.147 5.300 1.00 0.00 C ATOM 954 CG GLU A 58 -4.795 6.750 5.151 1.00 0.00 C ATOM 955 CD GLU A 58 -5.596 5.704 5.903 1.00 0.00 C ATOM 956 OE1 GLU A 58 -6.617 5.235 5.358 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.202 5.356 7.035 1.00 0.00 O ATOM 0 H GLU A 58 -2.599 9.350 5.417 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.019 8.800 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.465 8.382 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.380 8.161 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.761 6.486 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.767 6.745 5.514 1.00 0.00 H new ATOM 964 N GLU A 59 -4.833 11.424 3.624 1.00 0.00 N ATOM 965 CA GLU A 59 -5.586 12.565 3.116 1.00 0.00 C ATOM 966 C GLU A 59 -5.415 12.701 1.606 1.00 0.00 C ATOM 967 O GLU A 59 -4.321 12.977 1.116 1.00 0.00 O ATOM 968 CB GLU A 59 -5.135 13.852 3.809 1.00 0.00 C ATOM 969 CG GLU A 59 -3.648 14.129 3.671 1.00 0.00 C ATOM 970 CD GLU A 59 -3.325 14.998 2.470 1.00 0.00 C ATOM 971 OE1 GLU A 59 -4.248 15.666 1.958 1.00 0.00 O ATOM 972 OE2 GLU A 59 -2.152 15.009 2.044 1.00 0.00 O ATOM 0 H GLU A 59 -3.820 11.526 3.562 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.641 12.396 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.692 14.692 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.388 13.792 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.288 14.618 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.113 13.183 3.585 1.00 0.00 H new ATOM 979 N GLY A 60 -6.506 12.503 0.872 1.00 0.00 N ATOM 980 CA GLY A 60 -6.456 12.607 -0.575 1.00 0.00 C ATOM 981 C GLY A 60 -5.465 11.640 -1.191 1.00 0.00 C ATOM 982 O GLY A 60 -4.257 11.763 -0.984 1.00 0.00 O ATOM 0 H GLY A 60 -7.423 12.272 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.448 12.416 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.187 13.626 -0.854 1.00 0.00 H new ATOM 986 N ILE A 61 -5.974 10.675 -1.950 1.00 0.00 N ATOM 987 CA ILE A 61 -5.125 9.684 -2.597 1.00 0.00 C ATOM 988 C ILE A 61 -4.417 10.275 -3.812 1.00 0.00 C ATOM 989 O ILE A 61 -5.047 10.893 -4.671 1.00 0.00 O ATOM 990 CB ILE A 61 -5.935 8.450 -3.039 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.345 7.620 -1.821 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.127 7.607 -4.014 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.348 6.534 -2.140 1.00 0.00 C ATOM 0 H ILE A 61 -6.971 10.559 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.383 9.376 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.839 8.789 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.455 7.165 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.767 8.283 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.713 6.739 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.881 8.203 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.208 7.274 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.593 5.986 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.254 6.983 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.922 5.849 -2.873 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.105 10.080 -3.879 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.311 10.592 -4.990 1.00 0.00 C ATOM 1007 C LEU A 62 -2.473 9.712 -6.226 1.00 0.00 C ATOM 1008 O LEU A 62 -2.287 10.168 -7.353 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.835 10.669 -4.595 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.549 10.921 -3.114 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.937 11.150 -2.889 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.356 12.109 -2.610 1.00 0.00 C ATOM 0 H LEU A 62 -2.568 9.571 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.669 11.593 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.353 9.735 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.365 11.463 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.849 10.038 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.121 11.328 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.494 10.270 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.263 12.017 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.140 12.274 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.087 12.999 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.420 11.906 -2.735 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.822 8.449 -6.005 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.005 7.526 -7.110 1.00 0.00 C ATOM 1026 C GLY A 63 -3.328 6.120 -6.644 1.00 0.00 C ATOM 1027 O GLY A 63 -2.820 5.666 -5.619 1.00 0.00 O ATOM 0 H GLY A 63 -2.981 8.048 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.809 7.887 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.099 7.505 -7.716 1.00 0.00 H new ATOM 1031 N SER A 64 -4.178 5.429 -7.397 1.00 0.00 N ATOM 1032 CA SER A 64 -4.573 4.068 -7.053 1.00 0.00 C ATOM 1033 C SER A 64 -3.924 3.059 -7.995 1.00 0.00 C ATOM 1034 O SER A 64 -3.716 3.341 -9.176 1.00 0.00 O ATOM 1035 CB SER A 64 -6.095 3.927 -7.106 1.00 0.00 C ATOM 1036 OG SER A 64 -6.620 4.513 -8.285 1.00 0.00 O ATOM 0 H SER A 64 -4.606 5.789 -8.250 1.00 0.00 H new ATOM 0 HA SER A 64 -4.232 3.863 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.367 2.872 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.538 4.403 -6.231 1.00 0.00 H new ATOM 0 HG SER A 64 -7.526 4.844 -8.111 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.606 1.883 -7.465 1.00 0.00 N ATOM 1043 CA ILE A 65 -2.982 0.831 -8.258 1.00 0.00 C ATOM 1044 C ILE A 65 -3.837 -0.431 -8.266 1.00 0.00 C ATOM 1045 O ILE A 65 -4.184 -0.967 -7.213 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.578 0.484 -7.727 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.576 1.569 -8.125 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.134 -0.873 -8.252 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.719 1.510 -7.345 1.00 0.00 C ATOM 0 H ILE A 65 -3.770 1.635 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.893 1.213 -9.275 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.619 0.435 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.355 1.476 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.035 2.547 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.140 -1.104 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.837 -1.638 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.106 -0.850 -9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.382 2.308 -7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.510 1.633 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.200 0.546 -7.510 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.172 -0.904 -9.462 1.00 0.00 N ATOM 1062 CA LEU A 66 -4.985 -2.106 -9.609 1.00 0.00 C ATOM 1063 C LEU A 66 -4.116 -3.359 -9.577 1.00 0.00 C ATOM 1064 O LEU A 66 -3.364 -3.630 -10.514 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.776 -2.054 -10.917 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.163 -1.415 -10.838 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.053 -2.189 -9.879 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.056 0.042 -10.411 1.00 0.00 C ATOM 0 H LEU A 66 -3.893 -0.473 -10.344 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.681 -2.148 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.187 -1.506 -11.653 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.888 -3.072 -11.291 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.615 -1.450 -11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.036 -1.720 -9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.157 -3.217 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.606 -2.187 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.053 0.480 -10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.584 0.100 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.455 0.590 -11.136 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.225 -4.120 -8.494 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.450 -5.347 -8.340 1.00 0.00 C ATOM 1082 C LEU A 67 -3.882 -6.395 -9.361 1.00 0.00 C ATOM 1083 O LEU A 67 -3.059 -7.061 -9.989 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.612 -5.901 -6.923 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.586 -5.424 -5.895 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.877 -6.030 -4.530 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.176 -5.775 -6.346 1.00 0.00 C ATOM 0 H LEU A 67 -4.842 -3.910 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.400 -5.109 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.607 -5.638 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.568 -6.989 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.660 -4.340 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.137 -5.679 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.872 -5.728 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.831 -7.117 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.459 -5.428 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.088 -6.856 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.969 -5.293 -7.302 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.204 -6.545 -9.533 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.774 -7.508 -10.479 1.00 0.00 C ATOM 1101 C PRO A 68 -5.115 -7.433 -11.852 1.00 0.00 C ATOM 1102 O PRO A 68 -5.114 -8.407 -12.605 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.244 -7.090 -10.567 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.525 -6.414 -9.270 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.243 -5.785 -8.818 1.00 0.00 C ATOM 0 HA PRO A 68 -5.628 -8.537 -10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.415 -6.418 -11.408 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.893 -7.954 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.304 -5.660 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.885 -7.131 -8.531 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.207 -4.725 -9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.120 -5.860 -7.738 1.00 0.00 H new ATOM 1113 N SER A 69 -4.555 -6.271 -12.171 1.00 0.00 N ATOM 1114 CA SER A 69 -3.896 -6.067 -13.455 1.00 0.00 C ATOM 1115 C SER A 69 -2.404 -6.372 -13.354 1.00 0.00 C ATOM 1116 O SER A 69 -1.746 -6.650 -14.357 1.00 0.00 O ATOM 1117 CB SER A 69 -4.103 -4.630 -13.937 1.00 0.00 C ATOM 1118 OG SER A 69 -5.431 -4.430 -14.387 1.00 0.00 O ATOM 0 H SER A 69 -4.545 -5.456 -11.558 1.00 0.00 H new ATOM 0 HA SER A 69 -4.342 -6.752 -14.177 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.882 -3.936 -13.126 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.405 -4.410 -14.745 1.00 0.00 H new ATOM 0 HG SER A 69 -5.538 -3.504 -14.688 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.877 -6.317 -12.136 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.463 -6.586 -11.902 1.00 0.00 C ATOM 1126 C PHE A 70 -0.214 -8.082 -11.736 1.00 0.00 C ATOM 1127 O PHE A 70 -1.146 -8.857 -11.526 1.00 0.00 O ATOM 1128 CB PHE A 70 0.022 -5.836 -10.659 1.00 0.00 C ATOM 1129 CG PHE A 70 0.557 -4.465 -10.957 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.792 -4.306 -11.566 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.174 -3.335 -10.630 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.287 -3.046 -11.840 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.316 -2.072 -10.902 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.548 -1.927 -11.509 1.00 0.00 C ATOM 0 H PHE A 70 -2.408 -6.089 -11.295 1.00 0.00 H new ATOM 0 HA PHE A 70 0.096 -6.237 -12.770 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.803 -5.750 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.800 -6.423 -10.171 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.374 -5.177 -11.829 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.139 -3.442 -10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.252 -2.936 -12.313 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.264 -1.199 -10.640 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.933 -0.941 -11.724 1.00 0.00 H new ATOM 1144 N GLN A 71 1.051 -8.480 -11.834 1.00 0.00 N ATOM 1145 CA GLN A 71 1.423 -9.883 -11.696 1.00 0.00 C ATOM 1146 C GLN A 71 2.516 -10.056 -10.647 1.00 0.00 C ATOM 1147 O GLN A 71 3.672 -9.698 -10.877 1.00 0.00 O ATOM 1148 CB GLN A 71 1.895 -10.442 -13.040 1.00 0.00 C ATOM 1149 CG GLN A 71 2.900 -11.574 -12.908 1.00 0.00 C ATOM 1150 CD GLN A 71 2.988 -12.426 -14.160 1.00 0.00 C ATOM 1151 OE1 GLN A 71 3.740 -12.116 -15.084 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.217 -13.506 -14.196 1.00 0.00 N ATOM 0 H GLN A 71 1.835 -7.851 -12.008 1.00 0.00 H new ATOM 0 HA GLN A 71 0.542 -10.436 -11.370 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.030 -10.798 -13.600 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.342 -9.636 -13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.883 -11.158 -12.686 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.623 -12.204 -12.063 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.609 -13.725 -13.407 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.233 -14.117 -15.013 1.00 0.00 H new ATOM 1161 N ILE A 72 2.144 -10.608 -9.497 1.00 0.00 N ATOM 1162 CA ILE A 72 3.094 -10.829 -8.414 1.00 0.00 C ATOM 1163 C ILE A 72 3.920 -12.087 -8.655 1.00 0.00 C ATOM 1164 O ILE A 72 3.397 -13.201 -8.628 1.00 0.00 O ATOM 1165 CB ILE A 72 2.379 -10.950 -7.055 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.177 -10.006 -7.000 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.347 -10.651 -5.919 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.521 -8.570 -7.327 1.00 0.00 C ATOM 0 H ILE A 72 1.192 -10.910 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 72 3.755 -9.963 -8.392 1.00 0.00 H new ATOM 0 HB ILE A 72 2.019 -11.972 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.417 -10.357 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.738 -10.048 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.827 -10.740 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.174 -11.360 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.734 -9.638 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.621 -7.958 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.258 -8.201 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.932 -8.515 -8.335 1.00 0.00 H new ATOM 1180 N ALA A 73 5.215 -11.902 -8.890 1.00 0.00 N ATOM 1181 CA ALA A 73 6.115 -13.023 -9.133 1.00 0.00 C ATOM 1182 C ALA A 73 7.518 -12.721 -8.618 1.00 0.00 C ATOM 1183 O ALA A 73 8.031 -11.615 -8.794 1.00 0.00 O ATOM 1184 CB ALA A 73 6.156 -13.356 -10.617 1.00 0.00 C ATOM 0 H ALA A 73 5.664 -10.987 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 73 5.734 -13.887 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.832 -14.195 -10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.156 -13.623 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.510 -12.489 -11.175 1.00 0.00 H new ATOM 1190 N LEU A 74 8.135 -13.710 -7.980 1.00 0.00 N ATOM 1191 CA LEU A 74 9.480 -13.550 -7.439 1.00 0.00 C ATOM 1192 C LEU A 74 10.426 -12.977 -8.490 1.00 0.00 C ATOM 1193 O LEU A 74 10.231 -13.175 -9.690 1.00 0.00 O ATOM 1194 CB LEU A 74 10.012 -14.893 -6.935 1.00 0.00 C ATOM 1195 CG LEU A 74 9.490 -15.353 -5.574 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.280 -14.699 -4.451 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.007 -15.041 -5.437 1.00 0.00 C ATOM 0 H LEU A 74 7.725 -14.631 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 74 9.428 -12.851 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.768 -15.658 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.099 -14.834 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 74 9.621 -16.433 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.894 -15.038 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.331 -14.974 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.181 -13.616 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.653 -15.376 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.851 -13.966 -5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.453 -15.557 -6.221 1.00 0.00 H new ATOM 1209 N LEU A 75 11.452 -12.269 -8.031 1.00 0.00 N ATOM 1210 CA LEU A 75 12.430 -11.669 -8.932 1.00 0.00 C ATOM 1211 C LEU A 75 13.233 -12.744 -9.658 1.00 0.00 C ATOM 1212 O LEU A 75 13.359 -13.871 -9.178 1.00 0.00 O ATOM 1213 CB LEU A 75 13.374 -10.751 -8.153 1.00 0.00 C ATOM 1214 CG LEU A 75 12.707 -9.689 -7.278 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.755 -8.811 -6.611 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.747 -8.844 -8.103 1.00 0.00 C ATOM 0 H LEU A 75 11.628 -12.096 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 75 11.891 -11.081 -9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.009 -11.370 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.029 -10.248 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 75 12.137 -10.194 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.261 -8.061 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.402 -9.427 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.353 -8.314 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.282 -8.094 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.295 -8.349 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.976 -9.484 -8.532 1.00 0.00 H new ATOM 1228 N THR A 76 13.776 -12.387 -10.818 1.00 0.00 N ATOM 1229 CA THR A 76 14.567 -13.320 -11.610 1.00 0.00 C ATOM 1230 C THR A 76 15.914 -12.715 -11.989 1.00 0.00 C ATOM 1231 O THR A 76 16.152 -11.526 -11.779 1.00 0.00 O ATOM 1232 CB THR A 76 13.825 -13.737 -12.894 1.00 0.00 C ATOM 1233 OG1 THR A 76 13.318 -12.578 -13.565 1.00 0.00 O ATOM 1234 CG2 THR A 76 12.680 -14.686 -12.574 1.00 0.00 C ATOM 0 H THR A 76 13.682 -11.458 -11.229 1.00 0.00 H new ATOM 0 HA THR A 76 14.729 -14.202 -10.990 1.00 0.00 H new ATOM 0 HB THR A 76 14.532 -14.253 -13.544 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.362 -12.716 -14.534 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.171 -14.966 -13.496 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.073 -15.580 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.974 -14.192 -11.906 1.00 0.00 H new ATOM 1242 N SER A 77 16.792 -13.541 -12.549 1.00 0.00 N ATOM 1243 CA SER A 77 18.118 -13.087 -12.954 1.00 0.00 C ATOM 1244 C SER A 77 18.021 -11.838 -13.825 1.00 0.00 C ATOM 1245 O SER A 77 18.879 -10.958 -13.762 1.00 0.00 O ATOM 1246 CB SER A 77 18.849 -14.196 -13.713 1.00 0.00 C ATOM 1247 OG SER A 77 19.277 -15.221 -12.832 1.00 0.00 O ATOM 0 H SER A 77 16.610 -14.528 -12.733 1.00 0.00 H new ATOM 0 HA SER A 77 18.682 -12.839 -12.055 1.00 0.00 H new ATOM 0 HB2 SER A 77 18.190 -14.617 -14.472 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.710 -13.778 -14.235 1.00 0.00 H new ATOM 0 HG SER A 77 19.740 -15.918 -13.342 1.00 0.00 H new ATOM 1253 N GLU A 78 16.971 -11.770 -14.636 1.00 0.00 N ATOM 1254 CA GLU A 78 16.763 -10.629 -15.521 1.00 0.00 C ATOM 1255 C GLU A 78 16.754 -9.323 -14.731 1.00 0.00 C ATOM 1256 O GLU A 78 17.514 -8.401 -15.026 1.00 0.00 O ATOM 1257 CB GLU A 78 15.448 -10.783 -16.288 1.00 0.00 C ATOM 1258 CG GLU A 78 15.514 -11.807 -17.409 1.00 0.00 C ATOM 1259 CD GLU A 78 14.146 -12.332 -17.800 1.00 0.00 C ATOM 1260 OE1 GLU A 78 13.435 -12.854 -16.915 1.00 0.00 O ATOM 1261 OE2 GLU A 78 13.787 -12.222 -18.991 1.00 0.00 O ATOM 0 H GLU A 78 16.251 -12.490 -14.699 1.00 0.00 H new ATOM 0 HA GLU A 78 17.588 -10.598 -16.232 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.662 -11.071 -15.590 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.165 -9.817 -16.706 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.989 -11.356 -18.280 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.144 -12.641 -17.098 1.00 0.00 H new ATOM 1268 N ASP A 79 15.887 -9.252 -13.727 1.00 0.00 N ATOM 1269 CA ASP A 79 15.778 -8.060 -12.893 1.00 0.00 C ATOM 1270 C ASP A 79 17.153 -7.605 -12.414 1.00 0.00 C ATOM 1271 O ASP A 79 17.904 -8.381 -11.822 1.00 0.00 O ATOM 1272 CB ASP A 79 14.870 -8.332 -11.693 1.00 0.00 C ATOM 1273 CG ASP A 79 13.554 -8.970 -12.096 1.00 0.00 C ATOM 1274 OD1 ASP A 79 13.146 -8.800 -13.263 1.00 0.00 O ATOM 1275 OD2 ASP A 79 12.933 -9.638 -11.243 1.00 0.00 O ATOM 0 H ASP A 79 15.249 -10.006 -13.471 1.00 0.00 H new ATOM 0 HA ASP A 79 15.341 -7.264 -13.495 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.387 -8.985 -10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.672 -7.396 -11.171 1.00 0.00 H new ATOM 1280 N HIS A 80 17.476 -6.342 -12.674 1.00 0.00 N ATOM 1281 CA HIS A 80 18.761 -5.784 -12.269 1.00 0.00 C ATOM 1282 C HIS A 80 18.666 -5.150 -10.884 1.00 0.00 C ATOM 1283 O HIS A 80 19.121 -4.025 -10.674 1.00 0.00 O ATOM 1284 CB HIS A 80 19.233 -4.745 -13.287 1.00 0.00 C ATOM 1285 CG HIS A 80 19.073 -5.185 -14.710 1.00 0.00 C ATOM 1286 ND1 HIS A 80 19.217 -6.403 -15.281 1.00 0.00 N flip ATOM 1287 CD2 HIS A 80 18.727 -4.323 -15.729 1.00 0.00 C flip ATOM 1288 CE1 HIS A 80 18.956 -6.258 -16.621 1.00 0.00 C flip ATOM 1289 NE2 HIS A 80 18.662 -4.993 -16.866 1.00 0.00 N flip ATOM 0 H HIS A 80 16.866 -5.686 -13.163 1.00 0.00 H new ATOM 0 HA HIS A 80 19.486 -6.597 -12.228 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.675 -3.821 -13.136 1.00 0.00 H new ATOM 0 HB3 HIS A 80 20.283 -4.517 -13.102 1.00 0.00 H new ATOM 0 HD1 HIS A 80 19.472 -7.268 -14.805 1.00 0.00 H new ATOM 0 HD2 HIS A 80 18.539 -3.266 -15.616 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.986 -7.049 -17.356 1.00 0.00 H new ATOM 1298 N ILE A 81 18.072 -5.878 -9.945 1.00 0.00 N ATOM 1299 CA ILE A 81 17.918 -5.387 -8.582 1.00 0.00 C ATOM 1300 C ILE A 81 18.584 -6.325 -7.581 1.00 0.00 C ATOM 1301 O ILE A 81 19.388 -5.898 -6.754 1.00 0.00 O ATOM 1302 CB ILE A 81 16.433 -5.224 -8.206 1.00 0.00 C ATOM 1303 CG1 ILE A 81 15.724 -4.325 -9.220 1.00 0.00 C ATOM 1304 CG2 ILE A 81 16.301 -4.655 -6.802 1.00 0.00 C ATOM 1305 CD1 ILE A 81 14.215 -4.376 -9.122 1.00 0.00 C ATOM 0 H ILE A 81 17.689 -6.810 -10.103 1.00 0.00 H new ATOM 0 HA ILE A 81 18.404 -4.412 -8.542 1.00 0.00 H new ATOM 0 HB ILE A 81 15.959 -6.205 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 81 16.055 -3.297 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 81 16.025 -4.618 -10.226 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.246 -4.546 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.775 -5.330 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 81 16.787 -3.680 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.779 -3.714 -9.871 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.873 -5.396 -9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.904 -4.054 -8.128 1.00 0.00 H new ATOM 1317 N ASN A 82 18.244 -7.608 -7.663 1.00 0.00 N ATOM 1318 CA ASN A 82 18.810 -8.608 -6.765 1.00 0.00 C ATOM 1319 C ASN A 82 18.458 -8.297 -5.314 1.00 0.00 C ATOM 1320 O ASN A 82 19.175 -8.689 -4.393 1.00 0.00 O ATOM 1321 CB ASN A 82 20.329 -8.671 -6.932 1.00 0.00 C ATOM 1322 CG ASN A 82 20.911 -9.982 -6.439 1.00 0.00 C ATOM 1323 OD1 ASN A 82 21.473 -10.761 -7.356 1.00 0.00 O flip ATOM 1324 ND2 ASN A 82 20.855 -10.291 -5.249 1.00 0.00 N flip ATOM 0 H ASN A 82 17.579 -7.979 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 82 18.383 -9.577 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.582 -8.537 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.786 -7.846 -6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.414 -9.661 -4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.250 -11.177 -4.933 1.00 0.00 H new ATOM 1331 N ARG A 83 17.350 -7.590 -5.117 1.00 0.00 N ATOM 1332 CA ARG A 83 16.903 -7.225 -3.778 1.00 0.00 C ATOM 1333 C ARG A 83 16.303 -8.430 -3.059 1.00 0.00 C ATOM 1334 O ARG A 83 15.393 -9.082 -3.571 1.00 0.00 O ATOM 1335 CB ARG A 83 15.875 -6.096 -3.850 1.00 0.00 C ATOM 1336 CG ARG A 83 15.411 -5.606 -2.488 1.00 0.00 C ATOM 1337 CD ARG A 83 16.372 -4.581 -1.907 1.00 0.00 C ATOM 1338 NE ARG A 83 17.520 -5.211 -1.262 1.00 0.00 N ATOM 1339 CZ ARG A 83 18.443 -4.538 -0.583 1.00 0.00 C ATOM 1340 NH1 ARG A 83 18.352 -3.221 -0.462 1.00 0.00 N ATOM 1341 NH2 ARG A 83 19.458 -5.183 -0.024 1.00 0.00 N ATOM 0 H ARG A 83 16.745 -7.258 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 83 17.770 -6.881 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.305 -5.259 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.010 -6.440 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.418 -5.165 -2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.324 -6.452 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.720 -3.920 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.845 -3.960 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 83 17.619 -6.223 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.572 -2.722 -0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.062 -2.707 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.531 -6.196 -0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.166 -4.666 0.497 1.00 0.00 H new ATOM 1355 N LYS A 84 16.818 -8.719 -1.869 1.00 0.00 N ATOM 1356 CA LYS A 84 16.334 -9.844 -1.078 1.00 0.00 C ATOM 1357 C LYS A 84 14.905 -9.599 -0.602 1.00 0.00 C ATOM 1358 O LYS A 84 14.431 -8.463 -0.589 1.00 0.00 O ATOM 1359 CB LYS A 84 17.250 -10.080 0.125 1.00 0.00 C ATOM 1360 CG LYS A 84 18.410 -11.016 -0.169 1.00 0.00 C ATOM 1361 CD LYS A 84 18.058 -12.459 0.152 1.00 0.00 C ATOM 1362 CE LYS A 84 18.444 -12.824 1.577 1.00 0.00 C ATOM 1363 NZ LYS A 84 18.479 -14.298 1.782 1.00 0.00 N ATOM 0 H LYS A 84 17.571 -8.189 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 84 16.341 -10.731 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.644 -9.122 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.661 -10.491 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.688 -10.934 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.279 -10.714 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.988 -12.613 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 84 18.569 -13.123 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 84 19.422 -12.402 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.732 -12.378 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.746 -14.505 2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.539 -14.698 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.176 -14.722 1.137 1.00 0.00 H new ATOM 1377 N TYR A 85 14.225 -10.671 -0.211 1.00 0.00 N ATOM 1378 CA TYR A 85 12.850 -10.572 0.265 1.00 0.00 C ATOM 1379 C TYR A 85 12.074 -9.524 -0.526 1.00 0.00 C ATOM 1380 O TYR A 85 11.138 -8.911 -0.014 1.00 0.00 O ATOM 1381 CB TYR A 85 12.828 -10.223 1.754 1.00 0.00 C ATOM 1382 CG TYR A 85 13.834 -11.000 2.573 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.141 -10.549 2.713 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.478 -12.184 3.206 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.064 -11.255 3.460 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.394 -12.896 3.956 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.686 -12.428 4.080 1.00 0.00 C ATOM 1388 OH TYR A 85 16.601 -13.135 4.825 1.00 0.00 O ATOM 0 H TYR A 85 14.603 -11.618 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 85 12.371 -11.540 0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 85 13.022 -9.157 1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.829 -10.410 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.440 -9.631 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.468 -12.554 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.076 -10.891 3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.100 -13.814 4.443 1.00 0.00 H new ATOM 0 HH TYR A 85 16.173 -13.936 5.194 1.00 0.00 H new ATOM 1398 N ALA A 86 12.470 -9.324 -1.779 1.00 0.00 N ATOM 1399 CA ALA A 86 11.811 -8.353 -2.643 1.00 0.00 C ATOM 1400 C ALA A 86 11.165 -9.036 -3.844 1.00 0.00 C ATOM 1401 O ALA A 86 11.665 -10.046 -4.340 1.00 0.00 O ATOM 1402 CB ALA A 86 12.805 -7.298 -3.105 1.00 0.00 C ATOM 0 H ALA A 86 13.244 -9.822 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 86 11.023 -7.867 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.299 -6.579 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.216 -6.781 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.613 -7.777 -3.659 1.00 0.00 H new ATOM 1408 N PHE A 87 10.051 -8.479 -4.306 1.00 0.00 N ATOM 1409 CA PHE A 87 9.335 -9.035 -5.449 1.00 0.00 C ATOM 1410 C PHE A 87 9.095 -7.968 -6.513 1.00 0.00 C ATOM 1411 O PHE A 87 9.548 -6.831 -6.382 1.00 0.00 O ATOM 1412 CB PHE A 87 8.000 -9.632 -4.999 1.00 0.00 C ATOM 1413 CG PHE A 87 7.370 -8.896 -3.851 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.925 -8.958 -2.583 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.223 -8.142 -4.041 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.348 -8.282 -1.525 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.642 -7.463 -2.986 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.204 -7.534 -1.727 1.00 0.00 C ATOM 0 H PHE A 87 9.624 -7.643 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 87 9.950 -9.823 -5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.309 -9.633 -5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.155 -10.672 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.819 -9.541 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.778 -8.084 -5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.791 -8.338 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.749 -6.877 -3.147 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.750 -7.006 -0.901 1.00 0.00 H new ATOM 1428 N LYS A 88 8.380 -8.344 -7.567 1.00 0.00 N ATOM 1429 CA LYS A 88 8.078 -7.421 -8.655 1.00 0.00 C ATOM 1430 C LYS A 88 6.676 -7.667 -9.204 1.00 0.00 C ATOM 1431 O LYS A 88 6.187 -8.797 -9.199 1.00 0.00 O ATOM 1432 CB LYS A 88 9.109 -7.567 -9.776 1.00 0.00 C ATOM 1433 CG LYS A 88 9.058 -8.913 -10.479 1.00 0.00 C ATOM 1434 CD LYS A 88 9.784 -8.873 -11.813 1.00 0.00 C ATOM 1435 CE LYS A 88 9.534 -10.138 -12.621 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.457 -11.238 -12.229 1.00 0.00 N ATOM 0 H LYS A 88 7.998 -9.282 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 88 8.121 -6.406 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.949 -6.777 -10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.107 -7.421 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.508 -9.675 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.019 -9.203 -10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.453 -8.005 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.854 -8.754 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.503 -10.461 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.657 -9.921 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.607 -11.871 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.369 -10.836 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.041 -11.776 -11.442 1.00 0.00 H new ATOM 1450 N ALA A 89 6.035 -6.604 -9.678 1.00 0.00 N ATOM 1451 CA ALA A 89 4.692 -6.706 -10.234 1.00 0.00 C ATOM 1452 C ALA A 89 4.667 -6.269 -11.695 1.00 0.00 C ATOM 1453 O ALA A 89 5.003 -5.130 -12.017 1.00 0.00 O ATOM 1454 CB ALA A 89 3.717 -5.872 -9.415 1.00 0.00 C ATOM 0 H ALA A 89 6.425 -5.661 -9.688 1.00 0.00 H new ATOM 0 HA ALA A 89 4.386 -7.751 -10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.718 -5.957 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.705 -6.233 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.030 -4.828 -9.430 1.00 0.00 H new ATOM 1460 N ALA A 90 4.269 -7.183 -12.574 1.00 0.00 N ATOM 1461 CA ALA A 90 4.200 -6.891 -14.000 1.00 0.00 C ATOM 1462 C ALA A 90 2.810 -6.403 -14.394 1.00 0.00 C ATOM 1463 O ALA A 90 1.800 -6.959 -13.961 1.00 0.00 O ATOM 1464 CB ALA A 90 4.578 -8.123 -14.810 1.00 0.00 C ATOM 0 H ALA A 90 3.990 -8.131 -12.323 1.00 0.00 H new ATOM 0 HA ALA A 90 4.911 -6.094 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.522 -7.890 -15.873 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.594 -8.427 -14.558 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.889 -8.935 -14.580 1.00 0.00 H new ATOM 1470 N HIS A 91 2.765 -5.360 -15.217 1.00 0.00 N ATOM 1471 CA HIS A 91 1.497 -4.797 -15.669 1.00 0.00 C ATOM 1472 C HIS A 91 1.429 -4.766 -17.193 1.00 0.00 C ATOM 1473 O HIS A 91 2.411 -4.474 -17.876 1.00 0.00 O ATOM 1474 CB HIS A 91 1.313 -3.386 -15.110 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.121 -2.976 -14.978 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.840 -2.412 -16.011 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -0.971 -3.053 -13.928 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.070 -2.158 -15.601 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.176 -2.538 -14.340 1.00 0.00 N ATOM 0 H HIS A 91 3.591 -4.888 -15.584 1.00 0.00 H new ATOM 0 HA HIS A 91 0.693 -5.434 -15.300 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.791 -3.326 -14.132 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.827 -2.677 -15.759 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.744 -3.446 -12.948 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.855 -1.715 -16.196 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.016 -2.461 -13.766 1.00 0.00 H new ATOM 1488 N PRO A 92 0.244 -5.075 -17.739 1.00 0.00 N ATOM 1489 CA PRO A 92 0.020 -5.089 -19.188 1.00 0.00 C ATOM 1490 C PRO A 92 -0.058 -3.685 -19.777 1.00 0.00 C ATOM 1491 O PRO A 92 0.590 -3.385 -20.779 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.326 -5.805 -19.332 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.037 -5.534 -18.051 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.969 -5.433 -16.985 1.00 0.00 C ATOM 0 HA PRO A 92 0.837 -5.575 -19.722 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.888 -5.424 -20.185 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.191 -6.875 -19.491 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.612 -4.610 -18.114 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.742 -6.333 -17.821 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.216 -4.676 -16.241 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.845 -6.375 -16.452 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.855 -2.827 -19.147 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.017 -1.454 -19.609 1.00 0.00 C ATOM 1504 C ASN A 93 -0.041 -0.522 -18.898 1.00 0.00 C ATOM 1505 O ASN A 93 -0.132 0.700 -19.020 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.453 -0.981 -19.375 1.00 0.00 C ATOM 1507 CG ASN A 93 -2.831 0.185 -20.267 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.288 0.346 -21.360 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.766 1.006 -19.804 1.00 0.00 N ATOM 0 H ASN A 93 -1.398 -3.059 -18.315 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.803 -1.429 -20.677 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.139 -1.809 -19.554 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.571 -0.689 -18.331 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.061 1.808 -20.360 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.189 0.834 -18.892 1.00 0.00 H new ATOM 1516 N MET A 94 0.893 -1.107 -18.154 1.00 0.00 N ATOM 1517 CA MET A 94 1.887 -0.329 -17.425 1.00 0.00 C ATOM 1518 C MET A 94 3.218 -1.071 -17.361 1.00 0.00 C ATOM 1519 O MET A 94 3.345 -2.182 -17.876 1.00 0.00 O ATOM 1520 CB MET A 94 1.391 -0.025 -16.010 1.00 0.00 C ATOM 1521 CG MET A 94 0.467 1.180 -15.936 1.00 0.00 C ATOM 1522 SD MET A 94 -0.690 1.084 -14.556 1.00 0.00 S ATOM 1523 CE MET A 94 0.417 0.658 -13.214 1.00 0.00 C ATOM 0 H MET A 94 0.982 -2.117 -18.041 1.00 0.00 H new ATOM 0 HA MET A 94 2.039 0.609 -17.958 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.867 -0.899 -15.622 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.250 0.146 -15.361 1.00 0.00 H new ATOM 0 HG2 MET A 94 1.065 2.086 -15.841 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.092 1.263 -16.868 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.152 0.563 -12.289 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.910 -0.288 -13.436 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.168 1.440 -13.099 1.00 0.00 H new ATOM 1533 N ARG A 95 4.207 -0.450 -16.725 1.00 0.00 N ATOM 1534 CA ARG A 95 5.528 -1.052 -16.596 1.00 0.00 C ATOM 1535 C ARG A 95 5.569 -2.027 -15.422 1.00 0.00 C ATOM 1536 O ARG A 95 4.553 -2.278 -14.773 1.00 0.00 O ATOM 1537 CB ARG A 95 6.590 0.033 -16.408 1.00 0.00 C ATOM 1538 CG ARG A 95 6.429 0.827 -15.122 1.00 0.00 C ATOM 1539 CD ARG A 95 7.668 1.655 -14.819 1.00 0.00 C ATOM 1540 NE ARG A 95 8.856 0.821 -14.652 1.00 0.00 N ATOM 1541 CZ ARG A 95 9.651 0.466 -15.655 1.00 0.00 C ATOM 1542 NH1 ARG A 95 9.387 0.869 -16.890 1.00 0.00 N ATOM 1543 NH2 ARG A 95 10.713 -0.295 -15.424 1.00 0.00 N ATOM 0 H ARG A 95 4.118 0.469 -16.292 1.00 0.00 H new ATOM 0 HA ARG A 95 5.739 -1.603 -17.512 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.576 -0.431 -16.418 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.551 0.718 -17.255 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.563 1.483 -15.205 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.234 0.145 -14.294 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.835 2.367 -15.628 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.503 2.236 -13.912 1.00 0.00 H new ATOM 0 HE ARG A 95 9.087 0.494 -13.714 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.571 1.454 -17.072 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.000 0.595 -17.658 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.920 -0.608 -14.475 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.323 -0.567 -16.195 1.00 0.00 H new ATOM 1557 N THR A 96 6.751 -2.574 -15.155 1.00 0.00 N ATOM 1558 CA THR A 96 6.924 -3.522 -14.062 1.00 0.00 C ATOM 1559 C THR A 96 7.382 -2.817 -12.790 1.00 0.00 C ATOM 1560 O THR A 96 8.432 -2.174 -12.769 1.00 0.00 O ATOM 1561 CB THR A 96 7.946 -4.617 -14.425 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.511 -5.325 -15.591 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.126 -5.592 -13.271 1.00 0.00 C ATOM 0 H THR A 96 7.602 -2.376 -15.681 1.00 0.00 H new ATOM 0 HA THR A 96 5.953 -3.985 -13.888 1.00 0.00 H new ATOM 0 HB THR A 96 8.904 -4.138 -14.628 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.166 -6.018 -15.816 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.852 -6.356 -13.550 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.484 -5.054 -12.393 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.171 -6.065 -13.042 1.00 0.00 H new ATOM 1571 N TYR A 97 6.590 -2.943 -11.732 1.00 0.00 N ATOM 1572 CA TYR A 97 6.913 -2.316 -10.456 1.00 0.00 C ATOM 1573 C TYR A 97 7.792 -3.230 -9.607 1.00 0.00 C ATOM 1574 O TYR A 97 7.868 -4.435 -9.847 1.00 0.00 O ATOM 1575 CB TYR A 97 5.633 -1.970 -9.694 1.00 0.00 C ATOM 1576 CG TYR A 97 4.934 -0.734 -10.215 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.830 -0.494 -11.579 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.377 0.192 -9.342 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.193 0.634 -12.059 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.737 1.322 -9.813 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.648 1.539 -11.172 1.00 0.00 C ATOM 1582 OH TYR A 97 3.012 2.663 -11.646 1.00 0.00 O ATOM 0 H TYR A 97 5.719 -3.474 -11.732 1.00 0.00 H new ATOM 0 HA TYR A 97 7.465 -1.398 -10.661 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.947 -2.816 -9.749 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.875 -1.824 -8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.254 -1.201 -12.276 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.445 0.026 -8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.122 0.806 -13.123 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.309 2.032 -9.121 1.00 0.00 H new ATOM 0 HH TYR A 97 2.684 3.196 -10.892 1.00 0.00 H new ATOM 1592 N TYR A 98 8.453 -2.648 -8.613 1.00 0.00 N ATOM 1593 CA TYR A 98 9.328 -3.408 -7.728 1.00 0.00 C ATOM 1594 C TYR A 98 9.077 -3.043 -6.268 1.00 0.00 C ATOM 1595 O TYR A 98 9.095 -1.869 -5.898 1.00 0.00 O ATOM 1596 CB TYR A 98 10.794 -3.154 -8.084 1.00 0.00 C ATOM 1597 CG TYR A 98 11.232 -3.829 -9.364 1.00 0.00 C ATOM 1598 CD1 TYR A 98 11.413 -5.206 -9.420 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.464 -3.091 -10.518 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.814 -5.827 -10.587 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.864 -3.704 -11.690 1.00 0.00 C ATOM 1602 CZ TYR A 98 12.038 -5.072 -11.719 1.00 0.00 C ATOM 1603 OH TYR A 98 12.436 -5.687 -12.884 1.00 0.00 O ATOM 0 H TYR A 98 8.400 -1.652 -8.400 1.00 0.00 H new ATOM 0 HA TYR A 98 9.107 -4.467 -7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.956 -2.080 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.424 -3.503 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.237 -5.801 -8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.329 -2.020 -10.499 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.951 -6.898 -10.613 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.039 -3.115 -12.578 1.00 0.00 H new ATOM 0 HH TYR A 98 12.343 -6.658 -12.789 1.00 0.00 H new ATOM 1613 N PHE A 99 8.843 -4.058 -5.443 1.00 0.00 N ATOM 1614 CA PHE A 99 8.588 -3.846 -4.023 1.00 0.00 C ATOM 1615 C PHE A 99 9.498 -4.725 -3.170 1.00 0.00 C ATOM 1616 O PHE A 99 9.756 -5.881 -3.508 1.00 0.00 O ATOM 1617 CB PHE A 99 7.122 -4.141 -3.697 1.00 0.00 C ATOM 1618 CG PHE A 99 6.153 -3.418 -4.588 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.824 -2.094 -4.346 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.569 -4.063 -5.667 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.933 -1.426 -5.164 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.678 -3.400 -6.488 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.358 -2.080 -6.236 1.00 0.00 C ATOM 0 H PHE A 99 8.825 -5.036 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 99 8.801 -2.802 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.948 -5.214 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.926 -3.865 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.269 -1.578 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.813 -5.096 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.686 -0.393 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.232 -3.913 -7.327 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.660 -1.561 -6.876 1.00 0.00 H new ATOM 1633 N CYS A 100 9.980 -4.169 -2.064 1.00 0.00 N ATOM 1634 CA CYS A 100 10.862 -4.901 -1.162 1.00 0.00 C ATOM 1635 C CYS A 100 10.460 -4.678 0.292 1.00 0.00 C ATOM 1636 O CYS A 100 9.739 -3.731 0.610 1.00 0.00 O ATOM 1637 CB CYS A 100 12.314 -4.470 -1.374 1.00 0.00 C ATOM 1638 SG CYS A 100 12.728 -2.876 -0.627 1.00 0.00 S ATOM 0 H CYS A 100 9.775 -3.214 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 100 10.769 -5.964 -1.386 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.972 -5.234 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.514 -4.421 -2.444 1.00 0.00 H new ATOM 0 HG CYS A 100 12.647 -1.941 -1.527 1.00 0.00 H new ATOM 1644 N THR A 101 10.929 -5.556 1.172 1.00 0.00 N ATOM 1645 CA THR A 101 10.616 -5.457 2.592 1.00 0.00 C ATOM 1646 C THR A 101 11.868 -5.630 3.444 1.00 0.00 C ATOM 1647 O THR A 101 12.971 -5.782 2.920 1.00 0.00 O ATOM 1648 CB THR A 101 9.573 -6.510 3.012 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.947 -7.798 2.509 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.191 -6.140 2.496 1.00 0.00 C ATOM 0 H THR A 101 11.528 -6.344 0.926 1.00 0.00 H new ATOM 0 HA THR A 101 10.203 -4.462 2.756 1.00 0.00 H new ATOM 0 HB THR A 101 9.540 -6.541 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.127 -8.403 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.472 -6.899 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.897 -5.173 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.212 -6.083 1.408 1.00 0.00 H new ATOM 1658 N ASP A 102 11.690 -5.606 4.760 1.00 0.00 N ATOM 1659 CA ASP A 102 12.806 -5.761 5.686 1.00 0.00 C ATOM 1660 C ASP A 102 13.215 -7.226 5.803 1.00 0.00 C ATOM 1661 O ASP A 102 14.401 -7.556 5.779 1.00 0.00 O ATOM 1662 CB ASP A 102 12.435 -5.211 7.064 1.00 0.00 C ATOM 1663 CG ASP A 102 12.779 -3.742 7.212 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.981 -3.423 7.327 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.847 -2.911 7.213 1.00 0.00 O ATOM 0 H ASP A 102 10.783 -5.481 5.210 1.00 0.00 H new ATOM 0 HA ASP A 102 13.652 -5.196 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.367 -5.350 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.956 -5.782 7.832 1.00 0.00 H new ATOM 1670 N THR A 103 12.224 -8.103 5.931 1.00 0.00 N ATOM 1671 CA THR A 103 12.479 -9.533 6.055 1.00 0.00 C ATOM 1672 C THR A 103 11.411 -10.347 5.334 1.00 0.00 C ATOM 1673 O THR A 103 10.534 -9.792 4.674 1.00 0.00 O ATOM 1674 CB THR A 103 12.532 -9.969 7.531 1.00 0.00 C ATOM 1675 OG1 THR A 103 12.983 -11.324 7.626 1.00 0.00 O ATOM 1676 CG2 THR A 103 11.164 -9.838 8.183 1.00 0.00 C ATOM 0 H THR A 103 11.237 -7.848 5.952 1.00 0.00 H new ATOM 0 HA THR A 103 13.448 -9.722 5.594 1.00 0.00 H new ATOM 0 HB THR A 103 13.231 -9.317 8.055 1.00 0.00 H new ATOM 0 HG1 THR A 103 12.245 -11.894 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.226 -10.152 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.836 -8.800 8.135 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.448 -10.469 7.656 1.00 0.00 H new ATOM 1684 N GLY A 104 11.489 -11.668 5.467 1.00 0.00 N ATOM 1685 CA GLY A 104 10.522 -12.537 4.823 1.00 0.00 C ATOM 1686 C GLY A 104 9.102 -12.263 5.280 1.00 0.00 C ATOM 1687 O GLY A 104 8.174 -12.246 4.471 1.00 0.00 O ATOM 0 H GLY A 104 12.205 -12.151 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.584 -12.407 3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.774 -13.576 5.034 1.00 0.00 H new ATOM 1691 N LYS A 105 8.932 -12.050 6.580 1.00 0.00 N ATOM 1692 CA LYS A 105 7.616 -11.777 7.145 1.00 0.00 C ATOM 1693 C LYS A 105 6.947 -10.609 6.426 1.00 0.00 C ATOM 1694 O LYS A 105 5.917 -10.778 5.776 1.00 0.00 O ATOM 1695 CB LYS A 105 7.733 -11.469 8.640 1.00 0.00 C ATOM 1696 CG LYS A 105 6.400 -11.183 9.308 1.00 0.00 C ATOM 1697 CD LYS A 105 5.538 -12.431 9.392 1.00 0.00 C ATOM 1698 CE LYS A 105 4.345 -12.225 10.313 1.00 0.00 C ATOM 1699 NZ LYS A 105 4.742 -12.249 11.748 1.00 0.00 N ATOM 0 H LYS A 105 9.690 -12.061 7.263 1.00 0.00 H new ATOM 0 HA LYS A 105 6.999 -12.666 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.207 -12.314 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.389 -10.609 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.571 -10.790 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.871 -10.411 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.187 -12.700 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.139 -13.265 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.869 -11.271 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.605 -13.003 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.890 -12.242 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.292 -13.110 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.321 -11.412 11.962 1.00 0.00 H new ATOM 1713 N GLU A 106 7.542 -9.426 6.548 1.00 0.00 N ATOM 1714 CA GLU A 106 7.003 -8.232 5.909 1.00 0.00 C ATOM 1715 C GLU A 106 6.653 -8.506 4.449 1.00 0.00 C ATOM 1716 O GLU A 106 5.819 -7.820 3.860 1.00 0.00 O ATOM 1717 CB GLU A 106 8.009 -7.082 5.996 1.00 0.00 C ATOM 1718 CG GLU A 106 8.021 -6.384 7.346 1.00 0.00 C ATOM 1719 CD GLU A 106 8.717 -5.038 7.301 1.00 0.00 C ATOM 1720 OE1 GLU A 106 8.735 -4.416 6.217 1.00 0.00 O ATOM 1721 OE2 GLU A 106 9.243 -4.606 8.347 1.00 0.00 O ATOM 0 H GLU A 106 8.396 -9.270 7.083 1.00 0.00 H new ATOM 0 HA GLU A 106 6.092 -7.950 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.007 -7.467 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.780 -6.351 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.995 -6.247 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.519 -7.022 8.076 1.00 0.00 H new ATOM 1728 N MET A 107 7.299 -9.515 3.872 1.00 0.00 N ATOM 1729 CA MET A 107 7.055 -9.881 2.481 1.00 0.00 C ATOM 1730 C MET A 107 5.868 -10.832 2.369 1.00 0.00 C ATOM 1731 O MET A 107 5.048 -10.710 1.460 1.00 0.00 O ATOM 1732 CB MET A 107 8.302 -10.530 1.877 1.00 0.00 C ATOM 1733 CG MET A 107 8.048 -11.204 0.539 1.00 0.00 C ATOM 1734 SD MET A 107 9.533 -11.310 -0.479 1.00 0.00 S ATOM 1735 CE MET A 107 9.809 -13.080 -0.493 1.00 0.00 C ATOM 0 H MET A 107 7.994 -10.093 4.345 1.00 0.00 H new ATOM 0 HA MET A 107 6.822 -8.972 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.073 -9.770 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.693 -11.268 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.657 -12.207 0.710 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.280 -10.651 -0.002 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.696 -13.305 -1.085 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.954 -13.434 0.528 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.945 -13.580 -0.930 1.00 0.00 H new ATOM 1745 N GLU A 108 5.784 -11.779 3.299 1.00 0.00 N ATOM 1746 CA GLU A 108 4.697 -12.751 3.302 1.00 0.00 C ATOM 1747 C GLU A 108 3.366 -12.078 3.623 1.00 0.00 C ATOM 1748 O GLU A 108 2.316 -12.481 3.121 1.00 0.00 O ATOM 1749 CB GLU A 108 4.978 -13.860 4.318 1.00 0.00 C ATOM 1750 CG GLU A 108 4.428 -13.570 5.704 1.00 0.00 C ATOM 1751 CD GLU A 108 4.567 -14.750 6.646 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.679 -14.958 7.175 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.565 -15.465 6.855 1.00 0.00 O ATOM 0 H GLU A 108 6.455 -11.893 4.059 1.00 0.00 H new ATOM 0 HA GLU A 108 4.632 -13.188 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.547 -14.793 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.055 -14.012 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.950 -12.710 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.376 -13.296 5.623 1.00 0.00 H new ATOM 1760 N LEU A 109 3.417 -11.050 4.463 1.00 0.00 N ATOM 1761 CA LEU A 109 2.216 -10.320 4.853 1.00 0.00 C ATOM 1762 C LEU A 109 1.667 -9.511 3.682 1.00 0.00 C ATOM 1763 O LEU A 109 0.457 -9.317 3.562 1.00 0.00 O ATOM 1764 CB LEU A 109 2.519 -9.392 6.031 1.00 0.00 C ATOM 1765 CG LEU A 109 3.136 -10.053 7.264 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.434 -9.014 8.334 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.213 -11.133 7.809 1.00 0.00 C ATOM 0 H LEU A 109 4.277 -10.703 4.887 1.00 0.00 H new ATOM 0 HA LEU A 109 1.461 -11.046 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.195 -8.609 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.592 -8.904 6.331 1.00 0.00 H new ATOM 0 HG LEU A 109 4.075 -10.521 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.873 -9.503 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.134 -8.277 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.509 -8.516 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.669 -11.592 8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.257 -10.689 8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.051 -11.893 7.045 1.00 0.00 H new ATOM 1779 N TRP A 110 2.563 -9.043 2.821 1.00 0.00 N ATOM 1780 CA TRP A 110 2.168 -8.257 1.658 1.00 0.00 C ATOM 1781 C TRP A 110 1.787 -9.162 0.492 1.00 0.00 C ATOM 1782 O TRP A 110 0.788 -8.928 -0.187 1.00 0.00 O ATOM 1783 CB TRP A 110 3.302 -7.319 1.241 1.00 0.00 C ATOM 1784 CG TRP A 110 3.242 -5.979 1.910 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.201 -5.414 2.701 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.164 -5.038 1.849 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.784 -4.178 3.135 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.539 -3.924 2.625 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.920 -5.028 1.212 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.713 -2.814 2.781 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.102 -3.926 1.367 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.501 -2.831 2.146 1.00 0.00 C ATOM 0 H TRP A 110 3.568 -9.194 2.906 1.00 0.00 H new ATOM 0 HA TRP A 110 1.296 -7.663 1.932 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.257 -7.790 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.269 -7.179 0.160 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.148 -5.871 2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.316 -3.552 3.739 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.604 -5.867 0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.018 -1.970 3.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.862 -3.908 0.880 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.161 -1.984 2.247 1.00 0.00 H new ATOM 1803 N MET A 111 2.589 -10.198 0.266 1.00 0.00 N ATOM 1804 CA MET A 111 2.333 -11.140 -0.817 1.00 0.00 C ATOM 1805 C MET A 111 0.968 -11.800 -0.653 1.00 0.00 C ATOM 1806 O MET A 111 0.058 -11.578 -1.453 1.00 0.00 O ATOM 1807 CB MET A 111 3.427 -12.208 -0.862 1.00 0.00 C ATOM 1808 CG MET A 111 4.731 -11.717 -1.469 1.00 0.00 C ATOM 1809 SD MET A 111 5.734 -13.058 -2.138 1.00 0.00 S ATOM 1810 CE MET A 111 6.145 -12.400 -3.752 1.00 0.00 C ATOM 0 H MET A 111 3.421 -10.406 0.818 1.00 0.00 H new ATOM 0 HA MET A 111 2.338 -10.586 -1.755 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.618 -12.563 0.151 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.067 -13.061 -1.437 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.512 -11.002 -2.262 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.303 -11.185 -0.709 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.647 -12.989 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.815 -11.363 -3.817 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.224 -12.447 -3.900 1.00 0.00 H new ATOM 1820 N LYS A 112 0.830 -12.613 0.389 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.424 -13.305 0.660 1.00 0.00 C ATOM 1822 C LYS A 112 -1.618 -12.444 0.262 1.00 0.00 C ATOM 1823 O LYS A 112 -2.556 -12.923 -0.375 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.518 -13.672 2.143 1.00 0.00 C ATOM 1825 CG LYS A 112 0.431 -14.784 2.556 1.00 0.00 C ATOM 1826 CD LYS A 112 0.323 -15.983 1.629 1.00 0.00 C ATOM 1827 CE LYS A 112 1.293 -15.876 0.463 1.00 0.00 C ATOM 1828 NZ LYS A 112 0.771 -16.554 -0.756 1.00 0.00 N ATOM 0 H LYS A 112 1.573 -12.809 1.060 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.442 -14.218 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.308 -12.786 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.540 -13.975 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.455 -14.410 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.209 -15.092 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.525 -16.896 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.696 -16.060 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.481 -14.825 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.249 -16.319 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.461 -16.459 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.616 -17.562 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.128 -16.115 -1.039 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.576 -11.171 0.640 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.652 -10.242 0.319 1.00 0.00 C ATOM 1844 C ALA A 113 -2.631 -9.867 -1.159 1.00 0.00 C ATOM 1845 O ALA A 113 -3.571 -10.161 -1.897 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.549 -8.995 1.184 1.00 0.00 C ATOM 0 H ALA A 113 -0.808 -10.759 1.169 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.600 -10.737 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.359 -8.310 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.622 -9.274 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.592 -8.506 1.004 1.00 0.00 H new ATOM 1852 N MET A 114 -1.554 -9.214 -1.584 1.00 0.00 N ATOM 1853 CA MET A 114 -1.411 -8.799 -2.974 1.00 0.00 C ATOM 1854 C MET A 114 -1.886 -9.897 -3.921 1.00 0.00 C ATOM 1855 O MET A 114 -2.743 -9.667 -4.775 1.00 0.00 O ATOM 1856 CB MET A 114 0.046 -8.444 -3.276 1.00 0.00 C ATOM 1857 CG MET A 114 0.464 -7.085 -2.739 1.00 0.00 C ATOM 1858 SD MET A 114 1.999 -6.490 -3.475 1.00 0.00 S ATOM 1859 CE MET A 114 2.618 -5.440 -2.163 1.00 0.00 C ATOM 0 H MET A 114 -0.768 -8.961 -0.985 1.00 0.00 H new ATOM 0 HA MET A 114 -2.032 -7.916 -3.129 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.694 -9.209 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.200 -8.462 -4.355 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.330 -6.363 -2.930 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.584 -7.147 -1.657 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.903 -4.472 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.841 -5.299 -1.412 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.487 -5.908 -1.702 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.324 -11.091 -3.764 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.690 -12.225 -4.605 1.00 0.00 C ATOM 1871 C LEU A 115 -3.200 -12.440 -4.603 1.00 0.00 C ATOM 1872 O LEU A 115 -3.792 -12.770 -5.631 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.982 -13.492 -4.123 1.00 0.00 C ATOM 1874 CG LEU A 115 0.395 -13.764 -4.731 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.309 -13.812 -6.248 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.394 -12.706 -4.284 1.00 0.00 C ATOM 0 H LEU A 115 -0.613 -11.298 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.375 -12.006 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.874 -13.434 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.625 -14.346 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 115 0.742 -14.735 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.298 -14.006 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.373 -14.607 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.060 -12.857 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.368 -12.915 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.052 -11.723 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.478 -12.721 -3.197 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.817 -12.249 -3.442 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.259 -12.419 -3.306 1.00 0.00 C ATOM 1890 C ASP A 116 -6.006 -11.546 -4.309 1.00 0.00 C ATOM 1891 O ASP A 116 -6.981 -11.982 -4.922 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.703 -12.077 -1.883 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.971 -12.803 -1.481 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.999 -12.628 -2.169 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.936 -13.548 -0.480 1.00 0.00 O ATOM 0 H ASP A 116 -3.341 -11.976 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.498 -13.463 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.905 -12.332 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.863 -11.002 -1.804 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.543 -10.311 -4.471 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.167 -9.377 -5.400 1.00 0.00 C ATOM 1902 C ALA A 117 -5.692 -9.623 -6.828 1.00 0.00 C ATOM 1903 O ALA A 117 -6.501 -9.776 -7.743 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.872 -7.943 -4.984 1.00 0.00 C ATOM 0 H ALA A 117 -4.738 -9.934 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.245 -9.539 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.344 -7.256 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.266 -7.766 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.794 -7.778 -4.984 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.376 -9.660 -7.011 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.795 -9.889 -8.328 1.00 0.00 C ATOM 1912 C ALA A 118 -4.415 -11.111 -8.997 1.00 0.00 C ATOM 1913 O ALA A 118 -4.858 -11.045 -10.145 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.286 -10.055 -8.217 1.00 0.00 C ATOM 0 H ALA A 118 -3.693 -9.534 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.010 -9.019 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.865 -10.225 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.851 -9.152 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.060 -10.907 -7.575 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.444 -12.225 -8.274 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.011 -13.463 -8.798 1.00 0.00 C ATOM 1922 C LEU A 119 -6.320 -13.195 -9.532 1.00 0.00 C ATOM 1923 O LEU A 119 -6.688 -13.923 -10.454 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.244 -14.461 -7.663 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.519 -14.258 -6.842 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.692 -14.975 -7.491 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.317 -14.745 -5.415 1.00 0.00 C ATOM 0 H LEU A 119 -4.082 -12.297 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.300 -13.888 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.265 -15.465 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.390 -14.418 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.743 -13.192 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.590 -14.819 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.851 -14.579 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.478 -16.042 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.234 -14.593 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.067 -15.806 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.505 -14.185 -4.951 1.00 0.00 H new ATOM 1939 N VAL A 120 -7.020 -12.143 -9.119 1.00 0.00 N ATOM 1940 CA VAL A 120 -8.287 -11.776 -9.739 1.00 0.00 C ATOM 1941 C VAL A 120 -8.135 -11.614 -11.247 1.00 0.00 C ATOM 1942 O VAL A 120 -7.125 -11.099 -11.727 1.00 0.00 O ATOM 1943 CB VAL A 120 -8.843 -10.467 -9.148 1.00 0.00 C ATOM 1944 CG1 VAL A 120 -10.092 -10.029 -9.898 1.00 0.00 C ATOM 1945 CG2 VAL A 120 -9.135 -10.634 -7.664 1.00 0.00 C ATOM 0 H VAL A 120 -6.730 -11.530 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 120 -8.986 -12.586 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.088 -9.689 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.470 -9.102 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.848 -9.866 -10.948 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.855 -10.804 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.527 -9.699 -7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.871 -11.426 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -8.216 -10.897 -7.140 1.00 0.00 H new ATOM 1955 N GLN A 121 -9.144 -12.059 -11.990 1.00 0.00 N ATOM 1956 CA GLN A 121 -9.121 -11.964 -13.444 1.00 0.00 C ATOM 1957 C GLN A 121 -10.163 -10.967 -13.941 1.00 0.00 C ATOM 1958 O GLN A 121 -11.267 -11.348 -14.329 1.00 0.00 O ATOM 1959 CB GLN A 121 -9.372 -13.337 -14.070 1.00 0.00 C ATOM 1960 CG GLN A 121 -8.234 -14.321 -13.856 1.00 0.00 C ATOM 1961 CD GLN A 121 -8.688 -15.765 -13.934 1.00 0.00 C ATOM 1962 OE1 GLN A 121 -8.978 -16.280 -15.014 1.00 0.00 O ATOM 1963 NE2 GLN A 121 -8.752 -16.428 -12.785 1.00 0.00 N ATOM 0 H GLN A 121 -9.987 -12.489 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.135 -11.611 -13.744 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -10.287 -13.756 -13.651 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -9.538 -13.214 -15.140 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.462 -14.146 -14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.780 -14.139 -12.882 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -8.502 -15.962 -11.913 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -9.051 -17.403 -12.775 1.00 0.00 H new ATOM 1972 N THR A 122 -9.804 -9.687 -13.926 1.00 0.00 N ATOM 1973 CA THR A 122 -10.708 -8.635 -14.373 1.00 0.00 C ATOM 1974 C THR A 122 -10.041 -7.743 -15.414 1.00 0.00 C ATOM 1975 O THR A 122 -10.196 -6.522 -15.390 1.00 0.00 O ATOM 1976 CB THR A 122 -11.182 -7.763 -13.195 1.00 0.00 C ATOM 1977 OG1 THR A 122 -12.241 -6.898 -13.621 1.00 0.00 O ATOM 1978 CG2 THR A 122 -10.034 -6.933 -12.640 1.00 0.00 C ATOM 0 H THR A 122 -8.893 -9.354 -13.609 1.00 0.00 H new ATOM 0 HA THR A 122 -11.571 -9.129 -14.820 1.00 0.00 H new ATOM 0 HB THR A 122 -11.547 -8.422 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.954 -6.394 -14.411 1.00 0.00 H new ATOM 0 HG21 THR A 122 -10.393 -6.325 -11.809 1.00 0.00 H new ATOM 0 HG22 THR A 122 -9.242 -7.595 -12.290 1.00 0.00 H new ATOM 0 HG23 THR A 122 -9.643 -6.283 -13.423 1.00 0.00 H new ATOM 1986 N SER A 123 -9.300 -8.361 -16.329 1.00 0.00 N ATOM 1987 CA SER A 123 -8.607 -7.622 -17.377 1.00 0.00 C ATOM 1988 C SER A 123 -8.244 -8.540 -18.540 1.00 0.00 C ATOM 1989 O SER A 123 -8.429 -9.754 -18.468 1.00 0.00 O ATOM 1990 CB SER A 123 -7.343 -6.965 -16.818 1.00 0.00 C ATOM 1991 OG SER A 123 -6.524 -7.915 -16.158 1.00 0.00 O ATOM 0 H SER A 123 -9.165 -9.371 -16.365 1.00 0.00 H new ATOM 0 HA SER A 123 -9.279 -6.846 -17.744 1.00 0.00 H new ATOM 0 HB2 SER A 123 -6.783 -6.498 -17.628 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.618 -6.172 -16.123 1.00 0.00 H new ATOM 0 HG SER A 123 -5.722 -7.471 -15.811 1.00 0.00 H new ATOM 1997 N GLY A 124 -7.726 -7.950 -19.613 1.00 0.00 N ATOM 1998 CA GLY A 124 -7.346 -8.729 -20.777 1.00 0.00 C ATOM 1999 C GLY A 124 -8.545 -9.249 -21.544 1.00 0.00 C ATOM 2000 O GLY A 124 -8.936 -10.409 -21.415 1.00 0.00 O ATOM 0 H GLY A 124 -7.563 -6.947 -19.697 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -6.735 -8.114 -21.438 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -6.728 -9.570 -20.462 1.00 0.00 H new ATOM 2004 N PRO A 125 -9.151 -8.377 -22.364 1.00 0.00 N ATOM 2005 CA PRO A 125 -10.323 -8.733 -23.170 1.00 0.00 C ATOM 2006 C PRO A 125 -10.157 -10.074 -23.876 1.00 0.00 C ATOM 2007 O PRO A 125 -9.141 -10.323 -24.525 1.00 0.00 O ATOM 2008 CB PRO A 125 -10.407 -7.597 -24.193 1.00 0.00 C ATOM 2009 CG PRO A 125 -9.783 -6.427 -23.513 1.00 0.00 C ATOM 2010 CD PRO A 125 -8.739 -6.978 -22.567 1.00 0.00 C ATOM 0 HA PRO A 125 -11.219 -8.843 -22.559 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.876 -7.851 -25.111 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -11.441 -7.389 -24.470 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.329 -5.754 -24.240 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -10.532 -5.851 -22.969 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -7.738 -6.914 -22.994 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.720 -6.426 -21.627 1.00 0.00 H new ATOM 2018 N SER A 126 -11.161 -10.935 -23.744 1.00 0.00 N ATOM 2019 CA SER A 126 -11.123 -12.253 -24.367 1.00 0.00 C ATOM 2020 C SER A 126 -12.091 -12.325 -25.544 1.00 0.00 C ATOM 2021 O SER A 126 -12.805 -13.313 -25.715 1.00 0.00 O ATOM 2022 CB SER A 126 -11.469 -13.335 -23.341 1.00 0.00 C ATOM 2023 OG SER A 126 -10.445 -13.462 -22.370 1.00 0.00 O ATOM 0 H SER A 126 -12.010 -10.744 -23.212 1.00 0.00 H new ATOM 0 HA SER A 126 -10.113 -12.424 -24.739 1.00 0.00 H new ATOM 0 HB2 SER A 126 -12.411 -13.088 -22.851 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.614 -14.289 -23.848 1.00 0.00 H new ATOM 0 HG SER A 126 -10.690 -14.158 -21.725 1.00 0.00 H new ATOM 2029 N SER A 127 -12.107 -11.271 -26.354 1.00 0.00 N ATOM 2030 CA SER A 127 -12.989 -11.212 -27.514 1.00 0.00 C ATOM 2031 C SER A 127 -12.195 -11.354 -28.808 1.00 0.00 C ATOM 2032 O SER A 127 -11.594 -10.394 -29.290 1.00 0.00 O ATOM 2033 CB SER A 127 -13.768 -9.895 -27.522 1.00 0.00 C ATOM 2034 OG SER A 127 -14.651 -9.818 -26.416 1.00 0.00 O ATOM 0 H SER A 127 -11.519 -10.447 -26.228 1.00 0.00 H new ATOM 0 HA SER A 127 -13.693 -12.042 -27.447 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.072 -9.057 -27.494 1.00 0.00 H new ATOM 0 HB3 SER A 127 -14.334 -9.809 -28.450 1.00 0.00 H new ATOM 0 HG SER A 127 -15.136 -8.967 -26.443 1.00 0.00 H new ATOM 2040 N GLY A 128 -12.196 -12.561 -29.367 1.00 0.00 N ATOM 2041 CA GLY A 128 -11.472 -12.808 -30.600 1.00 0.00 C ATOM 2042 C GLY A 128 -12.072 -12.072 -31.782 1.00 0.00 C ATOM 2043 O GLY A 128 -12.461 -12.689 -32.773 1.00 0.00 O ATOM 0 H GLY A 128 -12.685 -13.372 -28.988 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.433 -12.503 -30.475 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.467 -13.878 -30.807 1.00 0.00 H new TER 2047 GLY A 128