USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1090 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 45 GLN : amide:sc= -10.9! C(o=-11!,f=-4.2!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= -4.21! C(o=-5.1!,f=-7!) USER MOD Set 2.2: A 101 MET CE :methyl -116:sc= -0.893 (180deg=-3.02!) USER MOD Set 3.1: A 29 TYR OH : rot 150:sc= -0.235 USER MOD Set 3.2: A 53 SER OG : rot 89:sc= 0.758 USER MOD Single : A 8 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.0749 (180deg=-3.24!) USER MOD Single : A 14 ASN : amide:sc= -1.31 K(o=-1.3,f=-8!) USER MOD Single : A 20 LYS NZ :NH3+ 132:sc= -0.448 (180deg=-2.65!) USER MOD Single : A 22 SER OG : rot -4:sc= -2.93! USER MOD Single : A 25 CYS SG : rot 74:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0193) USER MOD Single : A 30 THR OG1 : rot 59:sc= -0.461 USER MOD Single : A 37 HIS : no HD1:sc= -0.563 K(o=-0.56,f=-3.3!) USER MOD Single : A 41 GLN : amide:sc= -0.043 K(o=-0.043,f=-3.3!) USER MOD Single : A 42 THR OG1 : rot 89:sc= 0.278 USER MOD Single : A 46 ASN : amide:sc= -7.8! C(o=-7.8!,f=-21!) USER MOD Single : A 48 CYS SG : rot -45:sc= -6.58! USER MOD Single : A 60 THR OG1 : rot -100:sc= -0.533 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00406 USER MOD Single : A 63 ASN : amide:sc= -3.52! K(o=-3.5!,f=-1.6) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.942! K(o=-0.94!,f=0) USER MOD Single : A 77 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4.8!) USER MOD Single : A 79 GLN : amide:sc= -4.54! C(o=-4.5!,f=-2.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.332 (180deg=-1.24) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -153:sc= -0.124 (180deg=-0.842) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0.0045) USER MOD Single : A 107 CYS SG : rot -139:sc= -7.04! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= -15.7! C(o=-16!,f=-13!) USER MOD Single : A 122 MET CE :methyl 152:sc= -0.208 (180deg=-1.25) USER MOD Single : A 124 CYS SG : rot -133:sc= -0.211 USER MOD Single : A 133 GLN : amide:sc= -0.0715 K(o=-0.071,f=-1.1!) USER MOD Single : A 134 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.65) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -13.633 -16.986 -9.565 1.00 0.00 N ATOM 2 CA VAL A 4 -12.239 -17.444 -9.290 1.00 0.00 C ATOM 3 C VAL A 4 -12.268 -18.921 -8.862 1.00 0.00 C ATOM 4 O VAL A 4 -13.320 -19.493 -8.646 1.00 0.00 O ATOM 5 CB VAL A 4 -11.631 -16.566 -8.173 1.00 0.00 C ATOM 6 CG1 VAL A 4 -10.103 -16.498 -8.321 1.00 0.00 C ATOM 7 CG2 VAL A 4 -12.212 -15.143 -8.275 1.00 0.00 C ATOM 0 HA VAL A 4 -11.626 -17.350 -10.186 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.876 -17.003 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.688 -15.876 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.686 -17.502 -8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.850 -16.067 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.786 -14.519 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.966 -14.719 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.295 -15.183 -8.160 1.00 0.00 H new ATOM 17 N VAL A 5 -11.122 -19.537 -8.731 1.00 0.00 N ATOM 18 CA VAL A 5 -11.083 -20.967 -8.310 1.00 0.00 C ATOM 19 C VAL A 5 -11.589 -21.050 -6.860 1.00 0.00 C ATOM 20 O VAL A 5 -11.232 -20.230 -6.040 1.00 0.00 O ATOM 21 CB VAL A 5 -9.619 -21.456 -8.409 1.00 0.00 C ATOM 22 CG1 VAL A 5 -8.802 -20.870 -7.258 1.00 0.00 C ATOM 23 CG2 VAL A 5 -9.556 -22.983 -8.341 1.00 0.00 C ATOM 0 H VAL A 5 -10.211 -19.110 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.711 -21.593 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.208 -21.125 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.771 -21.216 -7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.824 -19.782 -7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.228 -21.194 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.518 -23.308 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.978 -23.323 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.127 -23.408 -9.167 1.00 0.00 H new ATOM 33 N PRO A 6 -12.405 -22.019 -6.521 1.00 0.00 N ATOM 34 CA PRO A 6 -12.908 -22.154 -5.129 1.00 0.00 C ATOM 35 C PRO A 6 -11.849 -22.796 -4.244 1.00 0.00 C ATOM 36 O PRO A 6 -11.957 -22.803 -3.035 1.00 0.00 O ATOM 37 CB PRO A 6 -14.118 -23.079 -5.284 1.00 0.00 C ATOM 38 CG PRO A 6 -13.760 -23.964 -6.424 1.00 0.00 C ATOM 39 CD PRO A 6 -12.954 -23.091 -7.392 1.00 0.00 C ATOM 0 HA PRO A 6 -13.157 -21.200 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.298 -23.654 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.027 -22.514 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.173 -24.818 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.653 -24.361 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.160 -23.659 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.583 -22.682 -8.182 1.00 0.00 H new ATOM 47 N ASP A 7 -10.815 -23.331 -4.851 1.00 0.00 N ATOM 48 CA ASP A 7 -9.732 -23.990 -4.050 1.00 0.00 C ATOM 49 C ASP A 7 -8.641 -22.975 -3.669 1.00 0.00 C ATOM 50 O ASP A 7 -7.489 -23.325 -3.524 1.00 0.00 O ATOM 51 CB ASP A 7 -9.121 -25.160 -4.831 1.00 0.00 C ATOM 52 CG ASP A 7 -8.215 -24.664 -5.958 1.00 0.00 C ATOM 53 OD1 ASP A 7 -8.048 -23.463 -6.087 1.00 0.00 O ATOM 54 OD2 ASP A 7 -7.688 -25.504 -6.665 1.00 0.00 O ATOM 0 H ASP A 7 -10.674 -23.340 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.176 -24.378 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.548 -25.793 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.917 -25.777 -5.247 1.00 0.00 H new ATOM 59 N GLN A 8 -8.988 -21.730 -3.483 1.00 0.00 N ATOM 60 CA GLN A 8 -7.953 -20.715 -3.098 1.00 0.00 C ATOM 61 C GLN A 8 -7.163 -21.284 -1.920 1.00 0.00 C ATOM 62 O GLN A 8 -5.964 -21.135 -1.812 1.00 0.00 O ATOM 63 CB GLN A 8 -8.659 -19.426 -2.641 1.00 0.00 C ATOM 64 CG GLN A 8 -9.577 -18.898 -3.752 1.00 0.00 C ATOM 65 CD GLN A 8 -10.250 -17.585 -3.317 1.00 0.00 C ATOM 66 OE1 GLN A 8 -10.502 -17.373 -2.151 1.00 0.00 O ATOM 67 NE2 GLN A 8 -10.572 -16.693 -4.226 1.00 0.00 N ATOM 0 H GLN A 8 -9.937 -21.369 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.297 -20.495 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.242 -19.622 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.918 -18.670 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.999 -18.733 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.337 -19.642 -3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.362 -16.867 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.032 -15.826 -3.949 1.00 0.00 H new ATOM 76 N ARG A 9 -7.843 -21.938 -1.047 1.00 0.00 N ATOM 77 CA ARG A 9 -7.173 -22.544 0.132 1.00 0.00 C ATOM 78 C ARG A 9 -5.979 -23.403 -0.306 1.00 0.00 C ATOM 79 O ARG A 9 -4.957 -23.424 0.357 1.00 0.00 O ATOM 80 CB ARG A 9 -8.165 -23.418 0.900 1.00 0.00 C ATOM 81 CG ARG A 9 -9.300 -22.565 1.487 1.00 0.00 C ATOM 82 CD ARG A 9 -10.149 -23.435 2.409 1.00 0.00 C ATOM 83 NE ARG A 9 -9.326 -23.819 3.592 1.00 0.00 N ATOM 84 CZ ARG A 9 -9.881 -24.318 4.660 1.00 0.00 C ATOM 85 NH1 ARG A 9 -11.168 -24.530 4.701 1.00 0.00 N ATOM 86 NH2 ARG A 9 -9.143 -24.623 5.688 1.00 0.00 N ATOM 0 H ARG A 9 -8.851 -22.086 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.815 -21.739 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.580 -24.176 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.648 -23.945 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.889 -21.720 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.915 -22.153 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.039 -22.892 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.490 -24.325 1.881 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.315 -23.689 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.748 -24.305 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.594 -24.921 5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.135 -24.471 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.573 -25.014 6.526 1.00 0.00 H new ATOM 100 N SER A 10 -6.112 -24.139 -1.384 1.00 0.00 N ATOM 101 CA SER A 10 -4.994 -25.031 -1.826 1.00 0.00 C ATOM 102 C SER A 10 -3.745 -24.239 -2.236 1.00 0.00 C ATOM 103 O SER A 10 -2.675 -24.457 -1.707 1.00 0.00 O ATOM 104 CB SER A 10 -5.474 -25.890 -2.994 1.00 0.00 C ATOM 105 OG SER A 10 -6.508 -26.757 -2.546 1.00 0.00 O ATOM 0 H SER A 10 -6.943 -24.160 -1.975 1.00 0.00 H new ATOM 0 HA SER A 10 -4.711 -25.660 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.840 -25.255 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.645 -26.472 -3.397 1.00 0.00 H new ATOM 0 HG SER A 10 -6.819 -27.308 -3.294 1.00 0.00 H new ATOM 111 N LYS A 11 -3.849 -23.313 -3.137 1.00 0.00 N ATOM 112 CA LYS A 11 -2.633 -22.545 -3.502 1.00 0.00 C ATOM 113 C LYS A 11 -2.151 -21.780 -2.266 1.00 0.00 C ATOM 114 O LYS A 11 -0.975 -21.657 -2.018 1.00 0.00 O ATOM 115 CB LYS A 11 -2.941 -21.578 -4.659 1.00 0.00 C ATOM 116 CG LYS A 11 -3.903 -20.475 -4.203 1.00 0.00 C ATOM 117 CD LYS A 11 -4.342 -19.682 -5.433 1.00 0.00 C ATOM 118 CE LYS A 11 -5.091 -18.415 -5.024 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.771 -17.865 -6.234 1.00 0.00 N ATOM 0 H LYS A 11 -4.704 -23.056 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.849 -23.224 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.015 -21.132 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.379 -22.128 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.768 -20.909 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.414 -19.819 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.470 -19.417 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.982 -20.301 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.821 -18.639 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.399 -17.681 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.551 -16.853 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.437 -18.370 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.799 -17.988 -6.140 1.00 0.00 H new ATOM 133 N PHE A 12 -3.051 -21.255 -1.482 1.00 0.00 N ATOM 134 CA PHE A 12 -2.609 -20.484 -0.274 1.00 0.00 C ATOM 135 C PHE A 12 -1.781 -21.358 0.700 1.00 0.00 C ATOM 136 O PHE A 12 -0.780 -20.913 1.222 1.00 0.00 O ATOM 137 CB PHE A 12 -3.848 -19.866 0.426 1.00 0.00 C ATOM 138 CG PHE A 12 -3.512 -19.389 1.842 1.00 0.00 C ATOM 139 CD1 PHE A 12 -3.394 -20.317 2.895 1.00 0.00 C ATOM 140 CD2 PHE A 12 -3.335 -18.018 2.108 1.00 0.00 C ATOM 141 CE1 PHE A 12 -3.094 -19.870 4.201 1.00 0.00 C ATOM 142 CE2 PHE A 12 -3.045 -17.583 3.402 1.00 0.00 C ATOM 143 CZ PHE A 12 -2.919 -18.503 4.453 1.00 0.00 C ATOM 0 H PHE A 12 -4.060 -21.321 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.949 -19.680 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.220 -19.028 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.649 -20.604 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.533 -21.371 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.424 -17.299 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.999 -20.583 5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.916 -16.528 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.688 -18.160 5.451 1.00 0.00 H new ATOM 153 N GLU A 13 -2.186 -22.574 0.980 1.00 0.00 N ATOM 154 CA GLU A 13 -1.395 -23.398 1.953 1.00 0.00 C ATOM 155 C GLU A 13 -0.066 -23.894 1.366 1.00 0.00 C ATOM 156 O GLU A 13 0.810 -24.265 2.106 1.00 0.00 O ATOM 157 CB GLU A 13 -2.231 -24.593 2.426 1.00 0.00 C ATOM 158 CG GLU A 13 -2.576 -25.495 1.260 1.00 0.00 C ATOM 159 CD GLU A 13 -3.419 -26.665 1.771 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.843 -27.607 2.280 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.630 -26.597 1.644 1.00 0.00 O ATOM 0 H GLU A 13 -3.012 -23.026 0.587 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.153 -22.752 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.678 -25.156 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.145 -24.239 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.126 -24.937 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.666 -25.864 0.787 1.00 0.00 H new ATOM 168 N ASN A 14 0.095 -23.955 0.059 1.00 0.00 N ATOM 169 CA ASN A 14 1.393 -24.489 -0.507 1.00 0.00 C ATOM 170 C ASN A 14 1.940 -23.671 -1.693 1.00 0.00 C ATOM 171 O ASN A 14 2.889 -24.090 -2.340 1.00 0.00 O ATOM 172 CB ASN A 14 1.168 -25.931 -0.960 1.00 0.00 C ATOM 173 CG ASN A 14 0.064 -25.965 -2.012 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.280 -24.961 -2.605 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.513 -27.092 -2.253 1.00 0.00 N ATOM 0 H ASN A 14 -0.598 -23.666 -0.631 1.00 0.00 H new ATOM 0 HA ASN A 14 2.138 -24.420 0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.090 -26.343 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.893 -26.553 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.262 -27.144 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.221 -27.932 -1.753 1.00 0.00 H new ATOM 182 N GLU A 15 1.407 -22.520 -1.996 1.00 0.00 N ATOM 183 CA GLU A 15 1.986 -21.749 -3.146 1.00 0.00 C ATOM 184 C GLU A 15 3.253 -21.001 -2.685 1.00 0.00 C ATOM 185 O GLU A 15 3.223 -20.211 -1.766 1.00 0.00 O ATOM 186 CB GLU A 15 0.955 -20.761 -3.728 1.00 0.00 C ATOM 187 CG GLU A 15 1.478 -20.201 -5.040 1.00 0.00 C ATOM 188 CD GLU A 15 0.535 -19.103 -5.540 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.500 -18.918 -4.922 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.854 -18.474 -6.541 1.00 0.00 O ATOM 0 H GLU A 15 0.619 -22.085 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 15 2.253 -22.452 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.002 -21.265 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.772 -19.951 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.481 -19.798 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.554 -20.996 -5.782 1.00 0.00 H new ATOM 197 N GLU A 16 4.366 -21.256 -3.332 1.00 0.00 N ATOM 198 CA GLU A 16 5.651 -20.583 -2.954 1.00 0.00 C ATOM 199 C GLU A 16 5.669 -19.097 -3.315 1.00 0.00 C ATOM 200 O GLU A 16 6.501 -18.360 -2.845 1.00 0.00 O ATOM 201 CB GLU A 16 6.805 -21.261 -3.669 1.00 0.00 C ATOM 202 CG GLU A 16 6.876 -22.722 -3.208 1.00 0.00 C ATOM 203 CD GLU A 16 7.994 -23.460 -3.949 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.142 -23.325 -3.539 1.00 0.00 O ATOM 205 OE2 GLU A 16 7.685 -24.168 -4.900 1.00 0.00 O ATOM 0 H GLU A 16 4.440 -21.908 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 16 5.747 -20.669 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.663 -21.212 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.741 -20.748 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.054 -22.763 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.921 -23.215 -3.392 1.00 0.00 H new ATOM 212 N PHE A 17 4.778 -18.650 -4.143 1.00 0.00 N ATOM 213 CA PHE A 17 4.778 -17.211 -4.541 1.00 0.00 C ATOM 214 C PHE A 17 4.806 -16.295 -3.310 1.00 0.00 C ATOM 215 O PHE A 17 5.066 -15.112 -3.441 1.00 0.00 O ATOM 216 CB PHE A 17 3.542 -16.937 -5.434 1.00 0.00 C ATOM 217 CG PHE A 17 3.067 -15.500 -5.306 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.898 -14.450 -5.718 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.800 -15.220 -4.771 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.462 -13.125 -5.599 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.367 -13.891 -4.653 1.00 0.00 C ATOM 222 CZ PHE A 17 2.198 -12.844 -5.064 1.00 0.00 C ATOM 0 H PHE A 17 4.043 -19.216 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 17 5.681 -16.991 -5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.790 -17.147 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.734 -17.614 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.875 -14.663 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.159 -16.028 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.102 -12.317 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.391 -13.676 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.866 -11.821 -4.969 1.00 0.00 H new ATOM 232 N PHE A 18 4.526 -16.791 -2.131 1.00 0.00 N ATOM 233 CA PHE A 18 4.553 -15.884 -0.957 1.00 0.00 C ATOM 234 C PHE A 18 6.001 -15.646 -0.522 1.00 0.00 C ATOM 235 O PHE A 18 6.485 -14.542 -0.531 1.00 0.00 O ATOM 236 CB PHE A 18 3.769 -16.493 0.192 1.00 0.00 C ATOM 237 CG PHE A 18 2.415 -16.905 -0.324 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.567 -15.943 -0.912 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.011 -18.249 -0.256 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.318 -16.334 -1.427 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.766 -18.628 -0.777 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.075 -17.668 -1.367 1.00 0.00 C ATOM 0 H PHE A 18 4.286 -17.763 -1.938 1.00 0.00 H new ATOM 0 HA PHE A 18 4.097 -14.934 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.299 -17.355 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.663 -15.773 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.876 -14.910 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.657 -18.987 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.337 -15.598 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.452 -19.660 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.029 -17.967 -1.775 1.00 0.00 H new ATOM 252 N ARG A 19 6.702 -16.672 -0.143 1.00 0.00 N ATOM 253 CA ARG A 19 8.114 -16.465 0.261 1.00 0.00 C ATOM 254 C ARG A 19 8.921 -15.874 -0.905 1.00 0.00 C ATOM 255 O ARG A 19 9.811 -15.065 -0.711 1.00 0.00 O ATOM 256 CB ARG A 19 8.732 -17.792 0.774 1.00 0.00 C ATOM 257 CG ARG A 19 8.051 -19.007 0.110 1.00 0.00 C ATOM 258 CD ARG A 19 6.848 -19.463 0.957 1.00 0.00 C ATOM 259 NE ARG A 19 7.342 -20.190 2.157 1.00 0.00 N ATOM 260 CZ ARG A 19 6.540 -20.406 3.154 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.328 -19.919 3.133 1.00 0.00 N ATOM 262 NH2 ARG A 19 6.945 -21.122 4.165 1.00 0.00 N ATOM 0 H ARG A 19 6.364 -17.633 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 19 8.147 -15.749 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.801 -17.807 0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.622 -17.855 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.720 -18.745 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.765 -19.824 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.253 -18.601 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.197 -20.109 0.368 1.00 0.00 H new ATOM 0 HE ARG A 19 8.307 -20.517 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.013 -19.370 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.697 -20.088 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.888 -21.510 4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.318 -21.295 4.951 1.00 0.00 H new ATOM 276 N LYS A 20 8.625 -16.273 -2.114 1.00 0.00 N ATOM 277 CA LYS A 20 9.388 -15.749 -3.294 1.00 0.00 C ATOM 278 C LYS A 20 9.194 -14.234 -3.485 1.00 0.00 C ATOM 279 O LYS A 20 10.071 -13.571 -3.990 1.00 0.00 O ATOM 280 CB LYS A 20 8.928 -16.490 -4.562 1.00 0.00 C ATOM 281 CG LYS A 20 9.159 -18.007 -4.407 1.00 0.00 C ATOM 282 CD LYS A 20 10.655 -18.357 -4.382 1.00 0.00 C ATOM 283 CE LYS A 20 10.838 -19.866 -4.589 1.00 0.00 C ATOM 284 NZ LYS A 20 10.245 -20.590 -3.439 1.00 0.00 N ATOM 0 H LYS A 20 7.887 -16.940 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 20 10.448 -15.923 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.872 -16.293 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.476 -16.118 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.689 -18.354 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.676 -18.534 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.180 -17.807 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.093 -18.055 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.360 -20.179 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.897 -20.107 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.641 -21.361 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.004 -20.985 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.673 -19.932 -2.872 1.00 0.00 H new ATOM 298 N LEU A 21 8.075 -13.671 -3.123 1.00 0.00 N ATOM 299 CA LEU A 21 7.889 -12.189 -3.331 1.00 0.00 C ATOM 300 C LEU A 21 7.205 -11.568 -2.122 1.00 0.00 C ATOM 301 O LEU A 21 7.487 -10.444 -1.750 1.00 0.00 O ATOM 302 CB LEU A 21 7.040 -11.947 -4.592 1.00 0.00 C ATOM 303 CG LEU A 21 7.935 -11.831 -5.841 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.088 -12.122 -7.079 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.487 -10.412 -5.955 1.00 0.00 C ATOM 0 H LEU A 21 7.285 -14.156 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 21 8.867 -11.724 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.332 -12.765 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.455 -11.035 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 21 8.760 -12.539 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.709 -12.043 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.677 -13.129 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.273 -11.401 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.119 -10.337 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.661 -9.706 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.076 -10.178 -5.068 1.00 0.00 H new ATOM 317 N SER A 22 6.305 -12.273 -1.503 1.00 0.00 N ATOM 318 CA SER A 22 5.617 -11.693 -0.328 1.00 0.00 C ATOM 319 C SER A 22 6.573 -11.759 0.855 1.00 0.00 C ATOM 320 O SER A 22 6.416 -12.536 1.768 1.00 0.00 O ATOM 321 CB SER A 22 4.335 -12.483 -0.046 1.00 0.00 C ATOM 322 OG SER A 22 4.656 -13.670 0.673 1.00 0.00 O ATOM 0 H SER A 22 6.019 -13.218 -1.759 1.00 0.00 H new ATOM 0 HA SER A 22 5.338 -10.655 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.639 -11.873 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.838 -12.736 -0.982 1.00 0.00 H new ATOM 0 HG SER A 22 5.628 -13.739 0.773 1.00 0.00 H new ATOM 328 N ARG A 23 7.599 -10.966 0.812 1.00 0.00 N ATOM 329 CA ARG A 23 8.606 -10.971 1.901 1.00 0.00 C ATOM 330 C ARG A 23 9.137 -9.538 2.043 1.00 0.00 C ATOM 331 O ARG A 23 8.728 -8.646 1.316 1.00 0.00 O ATOM 332 CB ARG A 23 9.732 -11.939 1.506 1.00 0.00 C ATOM 333 CG ARG A 23 10.490 -12.433 2.743 1.00 0.00 C ATOM 334 CD ARG A 23 11.645 -13.323 2.297 1.00 0.00 C ATOM 335 NE ARG A 23 12.233 -14.003 3.497 1.00 0.00 N ATOM 336 CZ ARG A 23 12.764 -13.333 4.486 1.00 0.00 C ATOM 337 NH1 ARG A 23 12.924 -12.040 4.408 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.185 -13.966 5.547 1.00 0.00 N ATOM 0 H ARG A 23 7.786 -10.305 0.058 1.00 0.00 H new ATOM 0 HA ARG A 23 8.183 -11.296 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.313 -12.789 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.423 -11.441 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.867 -11.586 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.819 -12.988 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.293 -14.064 1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.406 -12.727 1.792 1.00 0.00 H new ATOM 0 HE ARG A 23 12.218 -15.022 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.633 -11.540 3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.340 -11.530 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.099 -14.981 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.600 -13.446 6.320 1.00 0.00 H new ATOM 352 N GLU A 24 10.038 -9.288 2.956 1.00 0.00 N ATOM 353 CA GLU A 24 10.578 -7.912 3.072 1.00 0.00 C ATOM 354 C GLU A 24 11.160 -7.529 1.704 1.00 0.00 C ATOM 355 O GLU A 24 12.074 -8.151 1.224 1.00 0.00 O ATOM 356 CB GLU A 24 11.668 -7.885 4.161 1.00 0.00 C ATOM 357 CG GLU A 24 12.794 -8.879 3.828 1.00 0.00 C ATOM 358 CD GLU A 24 13.610 -9.188 5.100 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.437 -8.487 6.086 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.398 -10.112 5.060 1.00 0.00 O ATOM 0 H GLU A 24 10.416 -9.969 3.615 1.00 0.00 H new ATOM 0 HA GLU A 24 9.801 -7.201 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.078 -6.879 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.230 -8.135 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.372 -9.799 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.445 -8.462 3.060 1.00 0.00 H new ATOM 367 N CYS A 25 10.615 -6.528 1.053 1.00 0.00 N ATOM 368 CA CYS A 25 11.144 -6.119 -0.306 1.00 0.00 C ATOM 369 C CYS A 25 11.334 -4.587 -0.348 1.00 0.00 C ATOM 370 O CYS A 25 10.600 -3.858 0.283 1.00 0.00 O ATOM 371 CB CYS A 25 10.133 -6.536 -1.391 1.00 0.00 C ATOM 372 SG CYS A 25 9.957 -8.346 -1.421 1.00 0.00 S ATOM 0 H CYS A 25 9.830 -5.974 1.395 1.00 0.00 H new ATOM 0 HA CYS A 25 12.101 -6.608 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.166 -6.072 -1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.466 -6.179 -2.366 1.00 0.00 H new ATOM 0 HG CYS A 25 9.259 -8.731 -0.394 1.00 0.00 H new ATOM 378 N GLU A 26 12.285 -4.091 -1.114 1.00 0.00 N ATOM 379 CA GLU A 26 12.487 -2.617 -1.210 1.00 0.00 C ATOM 380 C GLU A 26 11.275 -1.988 -1.918 1.00 0.00 C ATOM 381 O GLU A 26 10.678 -2.599 -2.780 1.00 0.00 O ATOM 382 CB GLU A 26 13.748 -2.325 -2.032 1.00 0.00 C ATOM 383 CG GLU A 26 14.966 -2.950 -1.369 1.00 0.00 C ATOM 384 CD GLU A 26 16.228 -2.588 -2.160 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.185 -1.632 -2.930 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.217 -3.274 -1.979 1.00 0.00 O ATOM 0 H GLU A 26 12.927 -4.651 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 26 12.596 -2.199 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.632 -2.720 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.889 -1.248 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.055 -2.596 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.852 -4.033 -1.324 1.00 0.00 H new ATOM 393 N ILE A 27 10.902 -0.776 -1.582 1.00 0.00 N ATOM 394 CA ILE A 27 9.728 -0.138 -2.269 1.00 0.00 C ATOM 395 C ILE A 27 10.043 1.325 -2.613 1.00 0.00 C ATOM 396 O ILE A 27 10.794 2.011 -1.918 1.00 0.00 O ATOM 397 CB ILE A 27 8.494 -0.242 -1.348 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.658 0.651 -0.104 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.331 -1.698 -0.898 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.370 0.631 0.742 1.00 0.00 C ATOM 0 H ILE A 27 11.353 -0.203 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 27 9.517 -0.657 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 27 7.616 0.090 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.500 0.302 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.885 1.673 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.461 -1.782 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.193 -2.335 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.222 -2.013 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.500 1.266 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.537 1.002 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.161 -0.390 1.062 1.00 0.00 H new ATOM 412 N LYS A 28 9.449 1.798 -3.687 1.00 0.00 N ATOM 413 CA LYS A 28 9.656 3.195 -4.144 1.00 0.00 C ATOM 414 C LYS A 28 8.323 3.763 -4.668 1.00 0.00 C ATOM 415 O LYS A 28 7.660 3.176 -5.512 1.00 0.00 O ATOM 416 CB LYS A 28 10.691 3.207 -5.272 1.00 0.00 C ATOM 417 CG LYS A 28 11.079 4.642 -5.613 1.00 0.00 C ATOM 418 CD LYS A 28 12.076 4.643 -6.784 1.00 0.00 C ATOM 419 CE LYS A 28 13.390 3.958 -6.372 1.00 0.00 C ATOM 420 NZ LYS A 28 14.476 4.409 -7.280 1.00 0.00 N ATOM 0 H LYS A 28 8.816 1.253 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 28 10.011 3.805 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.575 2.645 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.284 2.713 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.191 5.216 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.524 5.126 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.642 4.126 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.276 5.667 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.636 4.205 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.282 2.875 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.241 3.704 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.100 4.517 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.848 5.322 -6.949 1.00 0.00 H new ATOM 434 N TYR A 29 7.931 4.888 -4.146 1.00 0.00 N ATOM 435 CA TYR A 29 6.653 5.520 -4.551 1.00 0.00 C ATOM 436 C TYR A 29 6.692 5.940 -6.029 1.00 0.00 C ATOM 437 O TYR A 29 7.724 6.310 -6.557 1.00 0.00 O ATOM 438 CB TYR A 29 6.449 6.728 -3.633 1.00 0.00 C ATOM 439 CG TYR A 29 5.076 7.324 -3.830 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.818 8.139 -4.934 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.077 7.099 -2.881 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.555 8.723 -5.103 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.810 7.694 -3.044 1.00 0.00 C ATOM 444 CZ TYR A 29 2.554 8.504 -4.158 1.00 0.00 C ATOM 445 OH TYR A 29 1.314 9.096 -4.320 1.00 0.00 O ATOM 0 H TYR A 29 8.456 5.405 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 29 5.823 4.820 -4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.574 6.426 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.210 7.480 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.595 8.320 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.275 6.471 -2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.357 9.343 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.036 7.525 -2.310 1.00 0.00 H new ATOM 0 HH TYR A 29 0.626 8.530 -3.912 1.00 0.00 H new ATOM 455 N THR A 30 5.566 5.871 -6.704 1.00 0.00 N ATOM 456 CA THR A 30 5.528 6.248 -8.143 1.00 0.00 C ATOM 457 C THR A 30 5.383 7.767 -8.281 1.00 0.00 C ATOM 458 O THR A 30 4.463 8.355 -7.752 1.00 0.00 O ATOM 459 CB THR A 30 4.320 5.586 -8.802 1.00 0.00 C ATOM 460 OG1 THR A 30 4.317 4.199 -8.500 1.00 0.00 O ATOM 461 CG2 THR A 30 4.393 5.783 -10.319 1.00 0.00 C ATOM 0 H THR A 30 4.674 5.568 -6.313 1.00 0.00 H new ATOM 0 HA THR A 30 6.451 5.921 -8.621 1.00 0.00 H new ATOM 0 HB THR A 30 3.404 6.040 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.277 4.076 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.531 5.310 -10.789 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.392 6.849 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.308 5.330 -10.701 1.00 0.00 H new ATOM 469 N GLY A 31 6.246 8.406 -9.023 1.00 0.00 N ATOM 470 CA GLY A 31 6.112 9.870 -9.218 1.00 0.00 C ATOM 471 C GLY A 31 7.290 10.355 -10.068 1.00 0.00 C ATOM 472 O GLY A 31 8.256 9.643 -10.256 1.00 0.00 O ATOM 0 H GLY A 31 7.037 7.974 -9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.168 10.102 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.103 10.381 -8.255 1.00 0.00 H new ATOM 476 N PHE A 32 7.218 11.542 -10.606 1.00 0.00 N ATOM 477 CA PHE A 32 8.341 12.040 -11.464 1.00 0.00 C ATOM 478 C PHE A 32 9.422 12.670 -10.583 1.00 0.00 C ATOM 479 O PHE A 32 9.368 13.844 -10.253 1.00 0.00 O ATOM 480 CB PHE A 32 7.805 13.099 -12.431 1.00 0.00 C ATOM 481 CG PHE A 32 7.103 12.422 -13.607 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.816 11.586 -14.486 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.736 12.651 -13.827 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.164 10.976 -15.570 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.085 12.045 -14.909 1.00 0.00 C ATOM 486 CZ PHE A 32 5.798 11.208 -15.782 1.00 0.00 C ATOM 0 H PHE A 32 6.437 12.188 -10.492 1.00 0.00 H new ATOM 0 HA PHE A 32 8.766 11.206 -12.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.110 13.759 -11.912 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.624 13.720 -12.794 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.870 11.413 -14.326 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.184 13.297 -13.160 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.714 10.330 -16.238 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.032 12.222 -15.072 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.294 10.743 -16.617 1.00 0.00 H new ATOM 496 N ARG A 33 10.410 11.903 -10.223 1.00 0.00 N ATOM 497 CA ARG A 33 11.523 12.438 -9.383 1.00 0.00 C ATOM 498 C ARG A 33 12.228 13.585 -10.101 1.00 0.00 C ATOM 499 O ARG A 33 13.111 14.195 -9.547 1.00 0.00 O ATOM 500 CB ARG A 33 12.559 11.351 -9.082 1.00 0.00 C ATOM 501 CG ARG A 33 11.893 10.218 -8.303 1.00 0.00 C ATOM 502 CD ARG A 33 12.956 9.206 -7.854 1.00 0.00 C ATOM 503 NE ARG A 33 13.792 9.784 -6.776 1.00 0.00 N ATOM 504 CZ ARG A 33 14.511 8.994 -6.005 1.00 0.00 C ATOM 505 NH1 ARG A 33 14.415 7.691 -6.119 1.00 0.00 N ATOM 506 NH2 ARG A 33 15.329 9.512 -5.126 1.00 0.00 N ATOM 0 H ARG A 33 10.498 10.919 -10.475 1.00 0.00 H new ATOM 0 HA ARG A 33 11.084 12.791 -8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.982 10.969 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.384 11.769 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.369 10.619 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.147 9.725 -8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.474 8.294 -7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.583 8.927 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 33 13.811 10.793 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.781 7.285 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.974 7.084 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.409 10.525 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.887 8.903 -4.528 1.00 0.00 H new ATOM 520 N ASP A 34 11.883 13.861 -11.334 1.00 0.00 N ATOM 521 CA ASP A 34 12.605 14.943 -12.059 1.00 0.00 C ATOM 522 C ASP A 34 12.161 16.296 -11.513 1.00 0.00 C ATOM 523 O ASP A 34 12.710 17.327 -11.847 1.00 0.00 O ATOM 524 CB ASP A 34 12.305 14.854 -13.562 1.00 0.00 C ATOM 525 CG ASP A 34 10.851 15.258 -13.850 1.00 0.00 C ATOM 526 OD1 ASP A 34 10.139 15.588 -12.909 1.00 0.00 O ATOM 527 OD2 ASP A 34 10.477 15.247 -15.012 1.00 0.00 O ATOM 0 H ASP A 34 11.146 13.392 -11.860 1.00 0.00 H new ATOM 0 HA ASP A 34 13.679 14.830 -11.911 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.984 15.505 -14.113 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.482 13.838 -13.914 1.00 0.00 H new ATOM 532 N ARG A 35 11.202 16.312 -10.631 1.00 0.00 N ATOM 533 CA ARG A 35 10.803 17.618 -10.037 1.00 0.00 C ATOM 534 C ARG A 35 11.752 17.884 -8.863 1.00 0.00 C ATOM 535 O ARG A 35 12.138 16.961 -8.175 1.00 0.00 O ATOM 536 CB ARG A 35 9.358 17.555 -9.536 1.00 0.00 C ATOM 537 CG ARG A 35 8.398 17.576 -10.723 1.00 0.00 C ATOM 538 CD ARG A 35 8.307 18.994 -11.333 1.00 0.00 C ATOM 539 NE ARG A 35 9.345 19.137 -12.407 1.00 0.00 N ATOM 540 CZ ARG A 35 9.244 20.109 -13.281 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.204 20.886 -13.252 1.00 0.00 N ATOM 542 NH2 ARG A 35 10.161 20.292 -14.193 1.00 0.00 N ATOM 0 H ARG A 35 10.686 15.496 -10.301 1.00 0.00 H new ATOM 0 HA ARG A 35 10.864 18.414 -10.779 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.206 16.649 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.155 18.399 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.736 16.870 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.409 17.250 -10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.313 19.162 -11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.461 19.746 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 35 10.125 18.482 -12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.475 20.737 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.116 21.645 -13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.971 19.674 -14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.067 21.053 -14.865 1.00 0.00 H new ATOM 556 N PRO A 36 12.146 19.115 -8.626 1.00 0.00 N ATOM 557 CA PRO A 36 13.075 19.443 -7.511 1.00 0.00 C ATOM 558 C PRO A 36 12.771 18.661 -6.223 1.00 0.00 C ATOM 559 O PRO A 36 11.809 17.925 -6.130 1.00 0.00 O ATOM 560 CB PRO A 36 12.838 20.935 -7.282 1.00 0.00 C ATOM 561 CG PRO A 36 12.440 21.482 -8.616 1.00 0.00 C ATOM 562 CD PRO A 36 11.753 20.332 -9.367 1.00 0.00 C ATOM 0 HA PRO A 36 14.103 19.183 -7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.056 21.100 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.738 21.423 -6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.765 22.330 -8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.311 21.839 -9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.670 20.457 -9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.079 20.286 -10.406 1.00 0.00 H new ATOM 570 N HIS A 37 13.566 18.854 -5.211 1.00 0.00 N ATOM 571 CA HIS A 37 13.312 18.153 -3.927 1.00 0.00 C ATOM 572 C HIS A 37 11.911 18.487 -3.425 1.00 0.00 C ATOM 573 O HIS A 37 11.388 17.844 -2.539 1.00 0.00 O ATOM 574 CB HIS A 37 14.352 18.614 -2.917 1.00 0.00 C ATOM 575 CG HIS A 37 14.166 20.085 -2.644 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.240 21.037 -3.654 1.00 0.00 N ATOM 577 CD2 HIS A 37 13.881 20.781 -1.490 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.001 22.244 -3.094 1.00 0.00 C ATOM 579 NE2 HIS A 37 13.778 22.144 -1.775 1.00 0.00 N ATOM 0 H HIS A 37 14.381 19.467 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 37 13.381 17.074 -4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.254 18.046 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.355 18.428 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.756 20.339 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.991 23.175 -3.642 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.577 22.901 -1.121 1.00 0.00 H new ATOM 587 N GLU A 38 11.302 19.479 -4.000 1.00 0.00 N ATOM 588 CA GLU A 38 9.914 19.858 -3.589 1.00 0.00 C ATOM 589 C GLU A 38 8.978 18.674 -3.825 1.00 0.00 C ATOM 590 O GLU A 38 7.852 18.656 -3.367 1.00 0.00 O ATOM 591 CB GLU A 38 9.440 21.065 -4.406 1.00 0.00 C ATOM 592 CG GLU A 38 9.187 20.646 -5.876 1.00 0.00 C ATOM 593 CD GLU A 38 9.024 21.886 -6.746 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.875 22.959 -6.184 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.037 21.737 -7.960 1.00 0.00 O ATOM 0 H GLU A 38 11.703 20.052 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 38 9.908 20.123 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.526 21.471 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.189 21.856 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.018 20.042 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.292 20.027 -5.938 1.00 0.00 H new ATOM 602 N GLU A 39 9.424 17.685 -4.546 1.00 0.00 N ATOM 603 CA GLU A 39 8.559 16.518 -4.809 1.00 0.00 C ATOM 604 C GLU A 39 8.306 15.772 -3.511 1.00 0.00 C ATOM 605 O GLU A 39 7.244 15.225 -3.305 1.00 0.00 O ATOM 606 CB GLU A 39 9.319 15.603 -5.765 1.00 0.00 C ATOM 607 CG GLU A 39 8.499 14.361 -6.099 1.00 0.00 C ATOM 608 CD GLU A 39 7.307 14.737 -6.960 1.00 0.00 C ATOM 609 OE1 GLU A 39 7.456 15.610 -7.790 1.00 0.00 O ATOM 610 OE2 GLU A 39 6.256 14.148 -6.763 1.00 0.00 O ATOM 0 H GLU A 39 10.354 17.640 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 39 7.604 16.831 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.556 16.144 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.267 15.307 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.121 13.635 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.158 13.884 -5.180 1.00 0.00 H new ATOM 617 N ARG A 40 9.264 15.709 -2.641 1.00 0.00 N ATOM 618 CA ARG A 40 9.033 14.955 -1.380 1.00 0.00 C ATOM 619 C ARG A 40 7.870 15.559 -0.572 1.00 0.00 C ATOM 620 O ARG A 40 6.974 14.855 -0.169 1.00 0.00 O ATOM 621 CB ARG A 40 10.313 14.929 -0.511 1.00 0.00 C ATOM 622 CG ARG A 40 10.798 16.368 -0.141 1.00 0.00 C ATOM 623 CD ARG A 40 10.635 16.610 1.363 1.00 0.00 C ATOM 624 NE ARG A 40 10.739 18.078 1.639 1.00 0.00 N ATOM 625 CZ ARG A 40 11.807 18.770 1.331 1.00 0.00 C ATOM 626 NH1 ARG A 40 12.892 18.179 0.911 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.809 20.067 1.483 1.00 0.00 N ATOM 0 H ARG A 40 10.184 16.138 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 40 8.770 13.934 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.120 14.365 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.105 14.406 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.843 16.492 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.225 17.108 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.671 16.231 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.402 16.068 1.916 1.00 0.00 H new ATOM 0 HE ARG A 40 9.953 18.554 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.916 17.163 0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.716 18.733 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.979 20.540 1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.640 20.607 1.243 1.00 0.00 H new ATOM 641 N GLN A 41 7.846 16.839 -0.328 1.00 0.00 N ATOM 642 CA GLN A 41 6.711 17.410 0.463 1.00 0.00 C ATOM 643 C GLN A 41 5.446 17.524 -0.378 1.00 0.00 C ATOM 644 O GLN A 41 4.381 17.131 0.045 1.00 0.00 O ATOM 645 CB GLN A 41 7.086 18.789 1.010 1.00 0.00 C ATOM 646 CG GLN A 41 7.260 19.805 -0.138 1.00 0.00 C ATOM 647 CD GLN A 41 8.014 21.026 0.405 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.827 20.894 1.301 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.802 22.211 -0.107 1.00 0.00 N ATOM 0 H GLN A 41 8.550 17.510 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 41 6.513 16.729 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.312 19.136 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.011 18.719 1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.812 19.354 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.288 20.103 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.122 22.328 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.317 23.018 0.245 1.00 0.00 H new ATOM 658 N THR A 42 5.545 18.086 -1.548 1.00 0.00 N ATOM 659 CA THR A 42 4.339 18.260 -2.403 1.00 0.00 C ATOM 660 C THR A 42 3.677 16.929 -2.701 1.00 0.00 C ATOM 661 O THR A 42 2.473 16.831 -2.717 1.00 0.00 O ATOM 662 CB THR A 42 4.712 18.949 -3.717 1.00 0.00 C ATOM 663 OG1 THR A 42 5.323 20.203 -3.443 1.00 0.00 O ATOM 664 CG2 THR A 42 3.462 19.161 -4.579 1.00 0.00 C ATOM 0 H THR A 42 6.414 18.435 -1.952 1.00 0.00 H new ATOM 0 HA THR A 42 3.633 18.882 -1.853 1.00 0.00 H new ATOM 0 HB THR A 42 5.412 18.315 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.290 20.080 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.742 19.652 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.005 18.197 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.750 19.785 -4.040 1.00 0.00 H new ATOM 672 N ARG A 43 4.428 15.903 -2.953 1.00 0.00 N ATOM 673 CA ARG A 43 3.770 14.602 -3.248 1.00 0.00 C ATOM 674 C ARG A 43 2.962 14.105 -2.038 1.00 0.00 C ATOM 675 O ARG A 43 1.913 13.513 -2.192 1.00 0.00 O ATOM 676 CB ARG A 43 4.806 13.550 -3.644 1.00 0.00 C ATOM 677 CG ARG A 43 5.571 13.066 -2.399 1.00 0.00 C ATOM 678 CD ARG A 43 4.868 11.851 -1.749 1.00 0.00 C ATOM 679 NE ARG A 43 5.638 10.627 -2.053 1.00 0.00 N ATOM 680 CZ ARG A 43 5.409 9.538 -1.372 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.478 9.516 -0.458 1.00 0.00 N ATOM 682 NH2 ARG A 43 6.110 8.482 -1.602 1.00 0.00 N ATOM 0 H ARG A 43 5.448 15.902 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 43 3.087 14.759 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.313 12.707 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.504 13.970 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.589 12.795 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.644 13.878 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.795 11.991 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.850 11.759 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 43 6.343 10.633 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.925 10.353 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.303 8.662 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.840 8.500 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.935 7.628 -1.072 1.00 0.00 H new ATOM 696 N PHE A 44 3.452 14.297 -0.835 1.00 0.00 N ATOM 697 CA PHE A 44 2.699 13.786 0.360 1.00 0.00 C ATOM 698 C PHE A 44 1.329 14.454 0.468 1.00 0.00 C ATOM 699 O PHE A 44 0.336 13.791 0.611 1.00 0.00 O ATOM 700 CB PHE A 44 3.488 14.032 1.665 1.00 0.00 C ATOM 701 CG PHE A 44 4.629 13.029 1.817 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.376 11.647 1.815 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.956 13.486 1.923 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.444 10.742 1.931 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.012 12.582 2.028 1.00 0.00 C ATOM 706 CZ PHE A 44 6.760 11.216 2.029 1.00 0.00 C ATOM 0 H PHE A 44 4.328 14.778 -0.629 1.00 0.00 H new ATOM 0 HA PHE A 44 2.567 12.713 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.889 15.046 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.816 13.955 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.364 11.282 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.158 14.547 1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.251 9.679 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.026 12.944 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.580 10.517 2.105 1.00 0.00 H new ATOM 716 N GLN A 45 1.243 15.757 0.412 1.00 0.00 N ATOM 717 CA GLN A 45 -0.112 16.369 0.525 1.00 0.00 C ATOM 718 C GLN A 45 -0.937 16.037 -0.727 1.00 0.00 C ATOM 719 O GLN A 45 -2.051 15.573 -0.626 1.00 0.00 O ATOM 720 CB GLN A 45 -0.029 17.896 0.681 1.00 0.00 C ATOM 721 CG GLN A 45 1.163 18.441 -0.125 1.00 0.00 C ATOM 722 CD GLN A 45 2.380 18.576 0.796 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.065 19.582 0.789 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.655 17.597 1.615 1.00 0.00 N ATOM 0 H GLN A 45 2.023 16.404 0.297 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.591 15.956 1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.954 18.356 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.083 18.157 1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.393 17.771 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.911 19.409 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.078 16.756 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.447 17.673 2.253 1.00 0.00 H new ATOM 733 N ASN A 46 -0.414 16.293 -1.911 1.00 0.00 N ATOM 734 CA ASN A 46 -1.202 16.017 -3.150 1.00 0.00 C ATOM 735 C ASN A 46 -1.559 14.534 -3.248 1.00 0.00 C ATOM 736 O ASN A 46 -2.564 14.166 -3.824 1.00 0.00 O ATOM 737 CB ASN A 46 -0.431 16.471 -4.416 1.00 0.00 C ATOM 738 CG ASN A 46 0.727 15.525 -4.745 1.00 0.00 C ATOM 739 OD1 ASN A 46 0.857 14.474 -4.167 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.597 15.869 -5.657 1.00 0.00 N ATOM 0 H ASN A 46 0.518 16.678 -2.065 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.126 16.592 -3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.116 16.515 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.045 17.479 -4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.378 15.251 -5.875 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.495 16.756 -6.151 1.00 0.00 H new ATOM 747 N ALA A 47 -0.763 13.674 -2.690 1.00 0.00 N ATOM 748 CA ALA A 47 -1.082 12.216 -2.781 1.00 0.00 C ATOM 749 C ALA A 47 -2.017 11.822 -1.648 1.00 0.00 C ATOM 750 O ALA A 47 -2.866 10.965 -1.802 1.00 0.00 O ATOM 751 CB ALA A 47 0.200 11.393 -2.674 1.00 0.00 C ATOM 0 H ALA A 47 0.088 13.907 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.562 12.022 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.042 10.332 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.875 11.663 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.683 11.595 -1.718 1.00 0.00 H new ATOM 757 N CYS A 48 -1.864 12.432 -0.514 1.00 0.00 N ATOM 758 CA CYS A 48 -2.756 12.106 0.625 1.00 0.00 C ATOM 759 C CYS A 48 -4.185 12.544 0.267 1.00 0.00 C ATOM 760 O CYS A 48 -5.156 11.865 0.570 1.00 0.00 O ATOM 761 CB CYS A 48 -2.290 12.836 1.880 1.00 0.00 C ATOM 762 SG CYS A 48 -2.765 14.581 1.808 1.00 0.00 S ATOM 0 H CYS A 48 -1.159 13.144 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.731 11.034 0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.727 12.370 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.208 12.751 1.977 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.490 15.057 0.630 1.00 0.00 H new ATOM 768 N ARG A 49 -4.342 13.672 -0.399 1.00 0.00 N ATOM 769 CA ARG A 49 -5.723 14.087 -0.767 1.00 0.00 C ATOM 770 C ARG A 49 -6.303 13.042 -1.707 1.00 0.00 C ATOM 771 O ARG A 49 -7.424 12.605 -1.533 1.00 0.00 O ATOM 772 CB ARG A 49 -5.734 15.471 -1.432 1.00 0.00 C ATOM 773 CG ARG A 49 -4.752 15.512 -2.593 1.00 0.00 C ATOM 774 CD ARG A 49 -4.793 16.904 -3.233 1.00 0.00 C ATOM 775 NE ARG A 49 -4.036 16.854 -4.516 1.00 0.00 N ATOM 776 CZ ARG A 49 -4.142 17.803 -5.392 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.856 18.852 -5.137 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.481 17.711 -6.501 1.00 0.00 N ATOM 0 H ARG A 49 -3.593 14.300 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.329 14.160 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.738 15.702 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.473 16.235 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.745 15.289 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.009 14.751 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.824 17.209 -3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.354 17.643 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.425 16.060 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.339 18.935 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.936 19.596 -5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.887 16.900 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.554 18.450 -7.201 1.00 0.00 H new ATOM 792 N ASP A 50 -5.508 12.572 -2.640 1.00 0.00 N ATOM 793 CA ASP A 50 -5.951 11.480 -3.546 1.00 0.00 C ATOM 794 C ASP A 50 -5.113 10.274 -3.130 1.00 0.00 C ATOM 795 O ASP A 50 -4.034 10.050 -3.624 1.00 0.00 O ATOM 796 CB ASP A 50 -5.711 11.835 -5.025 1.00 0.00 C ATOM 797 CG ASP A 50 -4.343 12.492 -5.206 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.360 11.772 -5.228 1.00 0.00 O ATOM 799 OD2 ASP A 50 -4.311 13.709 -5.351 1.00 0.00 O ATOM 0 H ASP A 50 -4.560 12.908 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.022 11.293 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.771 10.934 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.493 12.509 -5.374 1.00 0.00 H new ATOM 804 N GLY A 51 -5.591 9.543 -2.165 1.00 0.00 N ATOM 805 CA GLY A 51 -4.845 8.383 -1.620 1.00 0.00 C ATOM 806 C GLY A 51 -4.753 7.253 -2.631 1.00 0.00 C ATOM 807 O GLY A 51 -4.419 6.142 -2.286 1.00 0.00 O ATOM 0 H GLY A 51 -6.494 9.708 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.842 8.697 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.338 8.024 -0.716 1.00 0.00 H new ATOM 811 N ARG A 52 -5.007 7.514 -3.876 1.00 0.00 N ATOM 812 CA ARG A 52 -4.870 6.417 -4.869 1.00 0.00 C ATOM 813 C ARG A 52 -3.408 6.381 -5.307 1.00 0.00 C ATOM 814 O ARG A 52 -3.051 6.750 -6.409 1.00 0.00 O ATOM 815 CB ARG A 52 -5.756 6.694 -6.064 1.00 0.00 C ATOM 816 CG ARG A 52 -7.212 6.775 -5.619 1.00 0.00 C ATOM 817 CD ARG A 52 -8.079 7.081 -6.845 1.00 0.00 C ATOM 818 NE ARG A 52 -9.524 7.055 -6.451 1.00 0.00 N ATOM 819 CZ ARG A 52 -10.098 5.952 -6.058 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.479 4.815 -6.171 1.00 0.00 N ATOM 821 NH2 ARG A 52 -11.313 5.974 -5.565 1.00 0.00 N ATOM 0 H ARG A 52 -5.298 8.419 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.168 5.463 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.459 7.629 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.637 5.906 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.521 5.835 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.335 7.552 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.819 8.058 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.891 6.348 -7.629 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.069 7.916 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.540 4.783 -6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.932 3.955 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.816 6.858 -5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.755 5.107 -5.260 1.00 0.00 H new ATOM 835 N SER A 53 -2.566 5.933 -4.414 1.00 0.00 N ATOM 836 CA SER A 53 -1.094 5.845 -4.687 1.00 0.00 C ATOM 837 C SER A 53 -0.729 4.617 -5.515 1.00 0.00 C ATOM 838 O SER A 53 -1.329 3.562 -5.408 1.00 0.00 O ATOM 839 CB SER A 53 -0.330 5.759 -3.366 1.00 0.00 C ATOM 840 OG SER A 53 1.072 5.760 -3.633 1.00 0.00 O ATOM 0 H SER A 53 -2.840 5.616 -3.484 1.00 0.00 H new ATOM 0 HA SER A 53 -0.824 6.740 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.591 6.602 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.609 4.852 -2.829 1.00 0.00 H new ATOM 0 HG SER A 53 1.399 6.683 -3.663 1.00 0.00 H new ATOM 846 N GLU A 54 0.314 4.744 -6.288 1.00 0.00 N ATOM 847 CA GLU A 54 0.826 3.608 -7.096 1.00 0.00 C ATOM 848 C GLU A 54 2.263 3.349 -6.633 1.00 0.00 C ATOM 849 O GLU A 54 3.021 4.263 -6.435 1.00 0.00 O ATOM 850 CB GLU A 54 0.816 4.025 -8.556 1.00 0.00 C ATOM 851 CG GLU A 54 -0.616 4.376 -8.955 1.00 0.00 C ATOM 852 CD GLU A 54 -0.662 4.693 -10.454 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.103 3.921 -11.223 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.266 5.689 -10.810 1.00 0.00 O ATOM 0 H GLU A 54 0.843 5.610 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 54 0.220 2.710 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.472 4.882 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.196 3.218 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.283 3.545 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.966 5.233 -8.380 1.00 0.00 H new ATOM 861 N ILE A 55 2.644 2.130 -6.443 1.00 0.00 N ATOM 862 CA ILE A 55 4.037 1.858 -5.981 1.00 0.00 C ATOM 863 C ILE A 55 4.456 0.455 -6.419 1.00 0.00 C ATOM 864 O ILE A 55 3.639 -0.379 -6.771 1.00 0.00 O ATOM 865 CB ILE A 55 4.098 1.992 -4.455 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.415 1.407 -3.918 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.918 1.248 -3.813 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.688 1.882 -2.468 1.00 0.00 C ATOM 0 H ILE A 55 2.061 1.305 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 55 4.725 2.578 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 55 4.044 3.051 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.370 0.318 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.240 1.708 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.970 1.349 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.981 1.673 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.964 0.193 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.626 1.453 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.757 2.970 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.874 1.558 -1.820 1.00 0.00 H new ATOM 880 N ALA A 56 5.726 0.198 -6.444 1.00 0.00 N ATOM 881 CA ALA A 56 6.188 -1.146 -6.903 1.00 0.00 C ATOM 882 C ALA A 56 7.448 -1.547 -6.168 1.00 0.00 C ATOM 883 O ALA A 56 8.087 -0.744 -5.521 1.00 0.00 O ATOM 884 CB ALA A 56 6.495 -1.061 -8.388 1.00 0.00 C ATOM 0 H ALA A 56 6.463 0.848 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 56 5.412 -1.885 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.835 -2.033 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.595 -0.770 -8.929 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.276 -0.319 -8.556 1.00 0.00 H new ATOM 890 N PHE A 57 7.817 -2.790 -6.285 1.00 0.00 N ATOM 891 CA PHE A 57 9.055 -3.273 -5.620 1.00 0.00 C ATOM 892 C PHE A 57 10.230 -2.994 -6.553 1.00 0.00 C ATOM 893 O PHE A 57 10.199 -3.357 -7.697 1.00 0.00 O ATOM 894 CB PHE A 57 8.946 -4.786 -5.414 1.00 0.00 C ATOM 895 CG PHE A 57 7.762 -5.144 -4.537 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.813 -4.881 -3.164 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.637 -5.786 -5.081 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.745 -5.249 -2.334 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.564 -6.159 -4.247 1.00 0.00 C ATOM 900 CZ PHE A 57 5.626 -5.888 -2.872 1.00 0.00 C ATOM 0 H PHE A 57 7.310 -3.497 -6.817 1.00 0.00 H new ATOM 0 HA PHE A 57 9.194 -2.774 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.846 -5.280 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.863 -5.159 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.679 -4.392 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.594 -5.994 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.788 -5.038 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.698 -6.651 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.807 -6.174 -2.229 1.00 0.00 H new ATOM 910 N VAL A 58 11.270 -2.373 -6.072 1.00 0.00 N ATOM 911 CA VAL A 58 12.433 -2.090 -6.973 1.00 0.00 C ATOM 912 C VAL A 58 13.020 -3.407 -7.495 1.00 0.00 C ATOM 913 O VAL A 58 13.384 -3.514 -8.651 1.00 0.00 O ATOM 914 CB VAL A 58 13.516 -1.331 -6.197 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.742 -1.103 -7.096 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.946 0.020 -5.742 1.00 0.00 C ATOM 0 H VAL A 58 11.370 -2.051 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 58 12.091 -1.485 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 58 13.822 -1.914 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.507 -0.563 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.140 -2.065 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.450 -0.519 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.708 0.569 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.643 0.599 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.081 -0.148 -5.100 1.00 0.00 H new ATOM 926 N ALA A 59 13.093 -4.410 -6.666 1.00 0.00 N ATOM 927 CA ALA A 59 13.658 -5.714 -7.120 1.00 0.00 C ATOM 928 C ALA A 59 12.835 -6.309 -8.278 1.00 0.00 C ATOM 929 O ALA A 59 13.383 -6.889 -9.207 1.00 0.00 O ATOM 930 CB ALA A 59 13.644 -6.699 -5.941 1.00 0.00 C ATOM 0 H ALA A 59 12.786 -4.385 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 59 14.675 -5.545 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.055 -7.656 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.248 -6.300 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.619 -6.841 -5.598 1.00 0.00 H new ATOM 936 N THR A 60 11.526 -6.199 -8.218 1.00 0.00 N ATOM 937 CA THR A 60 10.655 -6.796 -9.287 1.00 0.00 C ATOM 938 C THR A 60 9.823 -5.711 -9.963 1.00 0.00 C ATOM 939 O THR A 60 9.341 -4.785 -9.337 1.00 0.00 O ATOM 940 CB THR A 60 9.719 -7.840 -8.664 1.00 0.00 C ATOM 941 OG1 THR A 60 10.464 -8.744 -7.865 1.00 0.00 O ATOM 942 CG2 THR A 60 9.004 -8.628 -9.759 1.00 0.00 C ATOM 0 H THR A 60 11.021 -5.720 -7.472 1.00 0.00 H new ATOM 0 HA THR A 60 11.292 -7.270 -10.033 1.00 0.00 H new ATOM 0 HB THR A 60 8.985 -7.320 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.620 -9.571 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.343 -9.366 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.418 -7.946 -10.374 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.740 -9.136 -10.382 1.00 0.00 H new ATOM 950 N GLY A 61 9.633 -5.826 -11.243 1.00 0.00 N ATOM 951 CA GLY A 61 8.832 -4.806 -11.957 1.00 0.00 C ATOM 952 C GLY A 61 7.359 -4.953 -11.587 1.00 0.00 C ATOM 953 O GLY A 61 6.507 -4.315 -12.167 1.00 0.00 O ATOM 0 H GLY A 61 9.998 -6.581 -11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.184 -3.807 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.959 -4.919 -13.034 1.00 0.00 H new ATOM 957 N THR A 62 7.048 -5.780 -10.627 1.00 0.00 N ATOM 958 CA THR A 62 5.634 -5.943 -10.235 1.00 0.00 C ATOM 959 C THR A 62 5.179 -4.677 -9.530 1.00 0.00 C ATOM 960 O THR A 62 5.840 -4.179 -8.635 1.00 0.00 O ATOM 961 CB THR A 62 5.486 -7.138 -9.293 1.00 0.00 C ATOM 962 OG1 THR A 62 5.932 -8.304 -9.958 1.00 0.00 O ATOM 963 CG2 THR A 62 4.017 -7.294 -8.888 1.00 0.00 C ATOM 0 H THR A 62 7.715 -6.346 -10.102 1.00 0.00 H new ATOM 0 HA THR A 62 5.024 -6.119 -11.121 1.00 0.00 H new ATOM 0 HB THR A 62 6.083 -6.980 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.842 -9.076 -9.361 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.913 -8.146 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.681 -6.389 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.410 -7.457 -9.778 1.00 0.00 H new ATOM 971 N ASN A 63 4.057 -4.132 -9.931 1.00 0.00 N ATOM 972 CA ASN A 63 3.562 -2.877 -9.289 1.00 0.00 C ATOM 973 C ASN A 63 2.220 -3.140 -8.622 1.00 0.00 C ATOM 974 O ASN A 63 1.400 -3.870 -9.131 1.00 0.00 O ATOM 975 CB ASN A 63 3.372 -1.788 -10.344 1.00 0.00 C ATOM 976 CG ASN A 63 2.418 -2.298 -11.418 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.825 -2.554 -12.533 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.153 -2.474 -11.113 1.00 0.00 N ATOM 0 H ASN A 63 3.464 -4.502 -10.674 1.00 0.00 H new ATOM 0 HA ASN A 63 4.294 -2.552 -8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.973 -0.884 -9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.331 -1.523 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.504 -2.828 -11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.820 -2.256 -10.174 1.00 0.00 H new ATOM 985 N LEU A 64 1.991 -2.540 -7.483 1.00 0.00 N ATOM 986 CA LEU A 64 0.691 -2.727 -6.752 1.00 0.00 C ATOM 987 C LEU A 64 0.023 -1.359 -6.527 1.00 0.00 C ATOM 988 O LEU A 64 0.646 -0.422 -6.072 1.00 0.00 O ATOM 989 CB LEU A 64 0.973 -3.415 -5.404 1.00 0.00 C ATOM 990 CG LEU A 64 1.620 -4.788 -5.643 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.878 -5.460 -4.289 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.671 -5.679 -6.460 1.00 0.00 C ATOM 0 H LEU A 64 2.654 -1.920 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 64 0.017 -3.349 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.633 -2.793 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.045 -3.533 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 64 2.555 -4.654 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.337 -6.436 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.547 -4.837 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.934 -5.586 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.136 -6.651 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.263 -5.812 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.466 -5.207 -7.421 1.00 0.00 H new ATOM 1004 N SER A 65 -1.253 -1.245 -6.840 1.00 0.00 N ATOM 1005 CA SER A 65 -1.981 0.055 -6.648 1.00 0.00 C ATOM 1006 C SER A 65 -2.973 -0.109 -5.489 1.00 0.00 C ATOM 1007 O SER A 65 -3.652 -1.119 -5.376 1.00 0.00 O ATOM 1008 CB SER A 65 -2.735 0.404 -7.935 1.00 0.00 C ATOM 1009 OG SER A 65 -1.805 0.521 -9.005 1.00 0.00 O ATOM 0 H SER A 65 -1.822 -2.001 -7.222 1.00 0.00 H new ATOM 0 HA SER A 65 -1.278 0.856 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.471 -0.368 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.281 1.339 -7.808 1.00 0.00 H new ATOM 0 HG SER A 65 -2.283 0.743 -9.831 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.072 0.862 -4.620 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.016 0.724 -3.474 1.00 0.00 C ATOM 1017 C LEU A 66 -4.577 2.090 -3.073 1.00 0.00 C ATOM 1018 O LEU A 66 -4.086 3.131 -3.470 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.302 0.079 -2.276 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.887 0.665 -2.079 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.371 0.208 -0.714 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.907 0.175 -3.181 1.00 0.00 C ATOM 0 H LEU A 66 -2.546 1.735 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.843 0.084 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.891 0.236 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.233 -0.998 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.944 1.752 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.371 0.609 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.040 0.569 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.334 -0.881 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.079 0.608 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.837 -0.912 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.275 0.485 -4.159 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.608 2.081 -2.276 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.240 3.365 -1.820 1.00 0.00 C ATOM 1036 C GLN A 67 -6.516 3.271 -0.306 1.00 0.00 C ATOM 1037 O GLN A 67 -7.282 2.446 0.149 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.565 3.570 -2.563 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.386 3.235 -4.051 1.00 0.00 C ATOM 1040 CD GLN A 67 -7.438 1.717 -4.261 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.553 1.152 -4.855 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.451 1.027 -3.815 1.00 0.00 N ATOM 0 H GLN A 67 -6.049 1.235 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.573 4.202 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.338 2.936 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.899 4.601 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.168 3.718 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.433 3.627 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.205 1.495 -3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.490 0.020 -3.970 1.00 0.00 H new ATOM 1051 N PHE A 68 -5.898 4.114 0.474 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.121 4.091 1.964 1.00 0.00 C ATOM 1053 C PHE A 68 -7.292 5.020 2.338 1.00 0.00 C ATOM 1054 O PHE A 68 -8.362 4.573 2.700 1.00 0.00 O ATOM 1055 CB PHE A 68 -4.821 4.533 2.694 1.00 0.00 C ATOM 1056 CG PHE A 68 -3.985 5.389 1.761 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.327 4.784 0.688 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -3.881 6.781 1.953 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.566 5.559 -0.191 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.121 7.557 1.071 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.464 6.939 -0.002 1.00 0.00 C ATOM 0 H PHE A 68 -5.243 4.825 0.150 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.373 3.077 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.070 5.094 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.253 3.658 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.406 3.717 0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.389 7.250 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.055 5.090 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.041 8.624 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.876 7.533 -0.686 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.075 6.312 2.284 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.148 7.284 2.654 1.00 0.00 C ATOM 1073 C PHE A 69 -8.083 8.492 1.708 1.00 0.00 C ATOM 1074 O PHE A 69 -7.598 9.542 2.068 1.00 0.00 O ATOM 1075 CB PHE A 69 -7.908 7.739 4.098 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.095 8.524 4.614 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.334 7.897 4.763 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -8.953 9.888 4.934 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.440 8.624 5.225 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.046 10.613 5.400 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.291 9.988 5.542 1.00 0.00 C ATOM 0 H PHE A 69 -6.193 6.737 1.997 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.131 6.820 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.735 6.871 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.010 8.354 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.440 6.850 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.995 10.372 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.400 8.141 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.934 11.657 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.140 10.554 5.896 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.570 8.342 0.505 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.564 9.426 -0.513 1.00 0.00 C ATOM 1093 C PRO A 70 -9.808 10.297 -0.377 1.00 0.00 C ATOM 1094 O PRO A 70 -10.913 9.791 -0.241 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.578 8.630 -1.821 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.444 7.456 -1.517 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.196 7.116 -0.037 1.00 0.00 C ATOM 0 HA PRO A 70 -7.722 10.114 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.980 9.221 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.574 8.321 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.494 7.690 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.194 6.611 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.126 6.879 0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.542 6.251 0.071 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.655 11.602 -0.408 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.853 12.472 -0.269 1.00 0.00 C ATOM 1107 C ALA A 71 -11.923 12.027 -1.267 1.00 0.00 C ATOM 1108 O ALA A 71 -13.069 11.885 -0.914 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.479 13.935 -0.546 1.00 0.00 C ATOM 0 H ALA A 71 -8.766 12.089 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.237 12.388 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.364 14.563 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.719 14.257 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.088 14.025 -1.560 1.00 0.00 H new ATOM 1115 N SER A 72 -11.564 11.800 -2.506 1.00 0.00 N ATOM 1116 CA SER A 72 -12.575 11.348 -3.510 1.00 0.00 C ATOM 1117 C SER A 72 -11.857 10.958 -4.808 1.00 0.00 C ATOM 1118 O SER A 72 -10.650 11.037 -4.905 1.00 0.00 O ATOM 1119 CB SER A 72 -13.574 12.469 -3.780 1.00 0.00 C ATOM 1120 OG SER A 72 -14.799 11.908 -4.252 1.00 0.00 O ATOM 0 H SER A 72 -10.615 11.908 -2.865 1.00 0.00 H new ATOM 0 HA SER A 72 -13.115 10.484 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.750 13.041 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.170 13.161 -4.518 1.00 0.00 H new ATOM 0 HG SER A 72 -15.443 12.626 -4.424 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.594 10.560 -5.814 1.00 0.00 N ATOM 1127 CA TRP A 73 -11.961 10.186 -7.106 1.00 0.00 C ATOM 1128 C TRP A 73 -11.697 11.467 -7.926 1.00 0.00 C ATOM 1129 O TRP A 73 -11.178 12.448 -7.425 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.901 9.248 -7.899 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.112 8.371 -8.831 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -10.873 8.645 -9.303 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.493 7.088 -9.415 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -10.472 7.616 -10.135 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.432 6.635 -10.238 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -13.646 6.279 -9.315 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.512 5.428 -10.938 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -13.728 5.071 -10.022 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -12.668 4.644 -10.828 1.00 0.00 C ATOM 0 H TRP A 73 -13.611 10.479 -5.792 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.021 9.668 -6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.474 8.630 -7.208 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.618 9.840 -8.468 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.292 9.525 -9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.572 7.587 -10.615 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.469 6.593 -8.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.690 5.102 -11.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.618 4.465 -9.943 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -12.740 3.710 -11.366 1.00 0.00 H new ATOM 1150 N GLN A 74 -12.046 11.461 -9.192 1.00 0.00 N ATOM 1151 CA GLN A 74 -11.812 12.672 -10.033 1.00 0.00 C ATOM 1152 C GLN A 74 -12.945 13.677 -9.805 1.00 0.00 C ATOM 1153 O GLN A 74 -12.996 14.719 -10.430 1.00 0.00 O ATOM 1154 CB GLN A 74 -11.745 12.279 -11.508 1.00 0.00 C ATOM 1155 CG GLN A 74 -10.597 11.293 -11.722 1.00 0.00 C ATOM 1156 CD GLN A 74 -10.373 11.096 -13.226 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -9.372 10.556 -13.634 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -11.264 11.512 -14.081 1.00 0.00 N ATOM 0 H GLN A 74 -12.480 10.674 -9.674 1.00 0.00 H new ATOM 0 HA GLN A 74 -10.864 13.130 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.688 11.829 -11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.597 13.165 -12.125 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.687 11.669 -11.253 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.829 10.339 -11.249 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.114 11.969 -13.750 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.112 11.380 -15.081 1.00 0.00 H new ATOM 1167 N GLY A 75 -13.845 13.384 -8.900 1.00 0.00 N ATOM 1168 CA GLY A 75 -14.961 14.330 -8.622 1.00 0.00 C ATOM 1169 C GLY A 75 -14.394 15.676 -8.196 1.00 0.00 C ATOM 1170 O GLY A 75 -13.218 15.819 -7.934 1.00 0.00 O ATOM 0 H GLY A 75 -13.852 12.529 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.580 14.450 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.604 13.930 -7.838 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.226 16.670 -8.144 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.772 18.031 -7.761 1.00 0.00 C ATOM 1176 C GLU A 76 -14.655 18.149 -6.244 1.00 0.00 C ATOM 1177 O GLU A 76 -15.114 19.104 -5.654 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.770 19.071 -8.306 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.187 18.788 -7.767 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.887 17.744 -8.650 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -18.181 18.054 -9.793 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.124 16.652 -8.162 1.00 0.00 O ATOM 0 H GLU A 76 -16.221 16.597 -8.355 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.787 18.216 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.456 20.073 -8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.776 19.043 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.129 18.427 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.769 19.710 -7.749 1.00 0.00 H new ATOM 1189 N GLN A 77 -14.040 17.184 -5.618 1.00 0.00 N ATOM 1190 CA GLN A 77 -13.877 17.229 -4.146 1.00 0.00 C ATOM 1191 C GLN A 77 -13.050 18.453 -3.761 1.00 0.00 C ATOM 1192 O GLN A 77 -12.654 19.252 -4.591 1.00 0.00 O ATOM 1193 CB GLN A 77 -13.153 15.965 -3.647 1.00 0.00 C ATOM 1194 CG GLN A 77 -12.090 15.526 -4.665 1.00 0.00 C ATOM 1195 CD GLN A 77 -11.156 16.699 -4.974 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -10.597 17.299 -4.077 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -10.958 17.053 -6.206 1.00 0.00 N ATOM 0 H GLN A 77 -13.642 16.361 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 77 -14.865 17.283 -3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.684 16.162 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.873 15.161 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.517 14.687 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.570 15.180 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.425 16.552 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.335 17.832 -6.419 1.00 0.00 H new ATOM 1206 N ARG A 78 -12.775 18.580 -2.493 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.963 19.735 -2.003 1.00 0.00 C ATOM 1208 C ARG A 78 -10.494 19.316 -1.980 1.00 0.00 C ATOM 1209 O ARG A 78 -10.163 18.162 -1.804 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.379 20.119 -0.569 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.884 20.445 -0.502 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.142 21.868 -1.014 1.00 0.00 C ATOM 1213 NE ARG A 78 -13.424 22.841 -0.138 1.00 0.00 N ATOM 1214 CZ ARG A 78 -13.342 24.097 -0.480 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -13.932 24.516 -1.558 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -12.684 24.937 0.273 1.00 0.00 N ATOM 0 H ARG A 78 -13.079 17.930 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.122 20.588 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.150 19.300 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.801 20.981 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.446 19.728 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.239 20.350 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.798 21.965 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.211 22.080 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.996 22.522 0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.460 23.863 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.868 25.498 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.234 24.611 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.620 25.919 0.006 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.617 20.251 -2.160 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.169 19.939 -2.155 1.00 0.00 C ATOM 1232 C GLN A 79 -7.720 19.698 -0.721 1.00 0.00 C ATOM 1233 O GLN A 79 -6.577 19.898 -0.383 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.371 21.110 -2.756 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.717 22.427 -2.036 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.044 22.987 -2.555 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.115 23.477 -3.664 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.109 22.942 -1.795 1.00 0.00 N ATOM 0 H GLN A 79 -9.844 21.234 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.989 19.048 -2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.303 20.912 -2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.593 21.201 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.783 22.255 -0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.921 23.155 -2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.053 22.531 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.994 23.318 -2.135 1.00 0.00 H new ATOM 1247 N THR A 80 -8.621 19.286 0.137 1.00 0.00 N ATOM 1248 CA THR A 80 -8.245 19.059 1.555 1.00 0.00 C ATOM 1249 C THR A 80 -7.480 17.734 1.676 1.00 0.00 C ATOM 1250 O THR A 80 -7.891 16.745 1.110 1.00 0.00 O ATOM 1251 CB THR A 80 -9.515 18.976 2.411 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.149 18.814 3.776 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.376 17.788 1.962 1.00 0.00 C ATOM 0 H THR A 80 -9.598 19.099 -0.089 1.00 0.00 H new ATOM 0 HA THR A 80 -7.618 19.882 1.898 1.00 0.00 H new ATOM 0 HB THR A 80 -10.091 19.893 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.957 18.762 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.275 17.738 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.657 17.917 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.808 16.864 2.074 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.370 17.699 2.390 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.568 16.448 2.547 1.00 0.00 C ATOM 1263 C PRO A 81 -6.189 15.441 3.519 1.00 0.00 C ATOM 1264 O PRO A 81 -7.126 15.735 4.223 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.216 16.945 3.085 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.535 18.210 3.835 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.750 18.833 3.111 1.00 0.00 C ATOM 0 HA PRO A 81 -5.500 15.908 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.755 16.204 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.514 17.134 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.768 17.998 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.685 18.892 3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.447 19.283 3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.442 19.620 2.423 1.00 0.00 H new ATOM 1275 N SER A 82 -5.643 14.255 3.579 1.00 0.00 N ATOM 1276 CA SER A 82 -6.160 13.227 4.526 1.00 0.00 C ATOM 1277 C SER A 82 -5.474 13.428 5.869 1.00 0.00 C ATOM 1278 O SER A 82 -4.265 13.296 6.005 1.00 0.00 O ATOM 1279 CB SER A 82 -5.822 11.839 4.000 1.00 0.00 C ATOM 1280 OG SER A 82 -5.746 10.938 5.092 1.00 0.00 O ATOM 0 H SER A 82 -4.854 13.953 3.007 1.00 0.00 H new ATOM 0 HA SER A 82 -7.241 13.322 4.630 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.582 11.509 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.874 11.860 3.463 1.00 0.00 H new ATOM 0 HG SER A 82 -5.530 10.041 4.762 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.238 13.772 6.855 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.655 14.014 8.194 1.00 0.00 C ATOM 1288 C ARG A 83 -4.934 12.761 8.653 1.00 0.00 C ATOM 1289 O ARG A 83 -3.901 12.829 9.280 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.771 14.367 9.210 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.119 14.818 10.515 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.159 14.997 11.625 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.074 16.119 11.283 1.00 0.00 N ATOM 1294 CZ ARG A 83 -7.627 17.324 11.076 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -6.411 17.638 11.397 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -8.427 18.240 10.613 1.00 0.00 N ATOM 0 H ARG A 83 -7.248 13.897 6.792 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.956 14.848 8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.408 15.157 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.410 13.501 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.376 14.083 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.591 15.758 10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.729 14.077 11.753 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.661 15.198 12.573 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.075 15.940 11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.797 16.939 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.068 18.584 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.401 18.013 10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.080 19.185 10.450 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.478 11.613 8.363 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.823 10.357 8.815 1.00 0.00 C ATOM 1312 C GLU A 84 -3.367 10.302 8.314 1.00 0.00 C ATOM 1313 O GLU A 84 -2.509 9.705 8.932 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.577 9.139 8.258 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.998 9.094 8.845 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.740 7.867 8.301 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.173 7.165 7.473 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.859 7.642 8.733 1.00 0.00 O ATOM 0 H GLU A 84 -6.343 11.491 7.836 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.838 10.339 9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.624 9.195 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.041 8.223 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.952 9.051 9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.539 10.004 8.585 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.083 10.882 7.181 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.686 10.810 6.645 1.00 0.00 C ATOM 1327 C TYR A 85 -0.710 11.580 7.545 1.00 0.00 C ATOM 1328 O TYR A 85 0.397 11.140 7.778 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.693 11.327 5.179 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.796 12.538 4.932 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.593 12.435 5.077 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.358 13.746 4.497 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.418 13.530 4.778 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.535 14.848 4.207 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.860 14.735 4.341 1.00 0.00 C ATOM 1336 OH TYR A 85 1.684 15.808 4.054 1.00 0.00 O ATOM 0 H TYR A 85 -3.747 11.399 6.605 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.334 9.778 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.379 10.518 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.715 11.585 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.031 11.509 5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.429 13.831 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.489 13.441 4.886 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.973 15.780 3.882 1.00 0.00 H new ATOM 0 HH TYR A 85 1.140 16.569 3.762 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.098 12.712 8.069 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.167 13.481 8.956 1.00 0.00 C ATOM 1348 C VAL A 86 -0.364 13.045 10.402 1.00 0.00 C ATOM 1349 O VAL A 86 0.169 13.638 11.323 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.407 14.997 8.809 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.826 15.773 9.296 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.651 15.338 7.344 1.00 0.00 C ATOM 0 H VAL A 86 -2.013 13.138 7.924 1.00 0.00 H new ATOM 0 HA VAL A 86 0.861 13.273 8.659 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.276 15.274 9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.648 16.843 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.012 15.539 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.694 15.488 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.820 16.410 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.219 15.051 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.527 14.797 6.986 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.109 11.994 10.609 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.310 11.496 12.003 1.00 0.00 C ATOM 1364 C ASP A 87 -0.264 10.408 12.271 1.00 0.00 C ATOM 1365 O ASP A 87 -0.091 9.980 13.387 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.740 10.954 12.186 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.912 9.551 11.591 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -1.957 9.019 11.065 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.015 9.029 11.675 1.00 0.00 O ATOM 0 H ASP A 87 -1.585 11.461 9.881 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.185 12.310 12.717 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.983 10.928 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.448 11.636 11.714 1.00 0.00 H new ATOM 1374 N LEU A 88 0.471 9.994 11.242 1.00 0.00 N ATOM 1375 CA LEU A 88 1.550 8.963 11.429 1.00 0.00 C ATOM 1376 C LEU A 88 2.847 9.526 10.864 1.00 0.00 C ATOM 1377 O LEU A 88 3.906 8.936 10.972 1.00 0.00 O ATOM 1378 CB LEU A 88 1.148 7.618 10.772 1.00 0.00 C ATOM 1379 CG LEU A 88 1.601 7.485 9.308 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.053 6.168 8.727 1.00 0.00 C ATOM 1381 CD2 LEU A 88 1.096 8.674 8.476 1.00 0.00 C ATOM 0 H LEU A 88 0.363 10.331 10.285 1.00 0.00 H new ATOM 0 HA LEU A 88 1.694 8.747 12.488 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.575 6.799 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.064 7.510 10.819 1.00 0.00 H new ATOM 0 HG LEU A 88 2.690 7.479 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.371 6.068 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.436 5.328 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.036 6.175 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.427 8.562 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.007 8.703 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.496 9.601 8.886 1.00 0.00 H new ATOM 1393 N GLU A 89 2.769 10.703 10.314 1.00 0.00 N ATOM 1394 CA GLU A 89 3.982 11.356 9.798 1.00 0.00 C ATOM 1395 C GLU A 89 4.680 12.010 10.978 1.00 0.00 C ATOM 1396 O GLU A 89 5.876 12.068 11.046 1.00 0.00 O ATOM 1397 CB GLU A 89 3.597 12.451 8.815 1.00 0.00 C ATOM 1398 CG GLU A 89 4.856 13.024 8.178 1.00 0.00 C ATOM 1399 CD GLU A 89 4.441 14.116 7.204 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.258 14.384 7.123 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.305 14.664 6.556 1.00 0.00 O ATOM 0 H GLU A 89 1.907 11.238 10.203 1.00 0.00 H new ATOM 0 HA GLU A 89 4.621 10.626 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.938 12.049 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.045 13.238 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.519 13.429 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.409 12.241 7.659 1.00 0.00 H new ATOM 1408 N ARG A 90 3.921 12.483 11.919 1.00 0.00 N ATOM 1409 CA ARG A 90 4.513 13.124 13.126 1.00 0.00 C ATOM 1410 C ARG A 90 5.219 12.084 14.004 1.00 0.00 C ATOM 1411 O ARG A 90 6.072 12.414 14.800 1.00 0.00 O ATOM 1412 CB ARG A 90 3.411 13.808 13.930 1.00 0.00 C ATOM 1413 CG ARG A 90 2.734 14.882 13.068 1.00 0.00 C ATOM 1414 CD ARG A 90 1.796 15.741 13.934 1.00 0.00 C ATOM 1415 NE ARG A 90 1.006 16.675 13.078 1.00 0.00 N ATOM 1416 CZ ARG A 90 -0.037 17.296 13.584 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.386 17.074 14.819 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -0.744 18.126 12.862 1.00 0.00 N ATOM 0 H ARG A 90 2.901 12.454 11.906 1.00 0.00 H new ATOM 0 HA ARG A 90 5.249 13.861 12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.676 13.073 14.256 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.830 14.260 14.829 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.489 15.513 12.600 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.169 14.411 12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.122 15.097 14.499 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.379 16.308 14.660 1.00 0.00 H new ATOM 0 HE ARG A 90 1.274 16.831 12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.149 16.420 15.391 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.194 17.554 15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.490 18.301 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.550 18.599 13.271 1.00 0.00 H new ATOM 1432 N GLU A 91 4.824 10.842 13.910 1.00 0.00 N ATOM 1433 CA GLU A 91 5.435 9.789 14.783 1.00 0.00 C ATOM 1434 C GLU A 91 6.859 9.409 14.295 1.00 0.00 C ATOM 1435 O GLU A 91 7.814 10.130 14.522 1.00 0.00 O ATOM 1436 CB GLU A 91 4.512 8.556 14.766 1.00 0.00 C ATOM 1437 CG GLU A 91 4.977 7.526 15.819 1.00 0.00 C ATOM 1438 CD GLU A 91 4.690 8.063 17.226 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.574 8.504 17.442 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.579 8.017 18.060 1.00 0.00 O ATOM 0 H GLU A 91 4.105 10.508 13.268 1.00 0.00 H new ATOM 0 HA GLU A 91 5.536 10.172 15.799 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.485 8.859 14.972 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.518 8.102 13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.460 6.578 15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.043 7.330 15.704 1.00 0.00 H new ATOM 1447 N ALA A 92 7.024 8.286 13.639 1.00 0.00 N ATOM 1448 CA ALA A 92 8.392 7.889 13.174 1.00 0.00 C ATOM 1449 C ALA A 92 9.009 8.979 12.291 1.00 0.00 C ATOM 1450 O ALA A 92 10.172 8.907 11.936 1.00 0.00 O ATOM 1451 CB ALA A 92 8.333 6.584 12.359 1.00 0.00 C ATOM 0 H ALA A 92 6.278 7.631 13.406 1.00 0.00 H new ATOM 0 HA ALA A 92 9.006 7.745 14.063 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.337 6.314 12.031 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.927 5.785 12.980 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.693 6.727 11.488 1.00 0.00 H new ATOM 1457 N GLY A 93 8.244 9.959 11.889 1.00 0.00 N ATOM 1458 CA GLY A 93 8.806 11.000 10.987 1.00 0.00 C ATOM 1459 C GLY A 93 8.767 10.431 9.582 1.00 0.00 C ATOM 1460 O GLY A 93 9.425 10.898 8.679 1.00 0.00 O ATOM 0 H GLY A 93 7.264 10.082 12.144 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.224 11.919 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.827 11.250 11.274 1.00 0.00 H new ATOM 1464 N LYS A 94 7.985 9.403 9.409 1.00 0.00 N ATOM 1465 CA LYS A 94 7.850 8.731 8.084 1.00 0.00 C ATOM 1466 C LYS A 94 6.366 8.622 7.759 1.00 0.00 C ATOM 1467 O LYS A 94 5.533 8.587 8.630 1.00 0.00 O ATOM 1468 CB LYS A 94 8.422 7.310 8.176 1.00 0.00 C ATOM 1469 CG LYS A 94 9.801 7.369 8.825 1.00 0.00 C ATOM 1470 CD LYS A 94 10.488 6.014 8.692 1.00 0.00 C ATOM 1471 CE LYS A 94 11.832 6.042 9.430 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.665 7.166 8.901 1.00 0.00 N ATOM 0 H LYS A 94 7.419 8.989 10.149 1.00 0.00 H new ATOM 0 HA LYS A 94 8.381 9.299 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.758 6.674 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.493 6.868 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.405 8.142 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.708 7.639 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.852 5.231 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.645 5.776 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.669 6.168 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.353 5.094 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.660 6.868 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.335 7.425 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.580 7.988 9.532 1.00 0.00 H new ATOM 1486 N VAL A 95 6.034 8.528 6.517 1.00 0.00 N ATOM 1487 CA VAL A 95 4.587 8.380 6.129 1.00 0.00 C ATOM 1488 C VAL A 95 4.377 6.975 5.597 1.00 0.00 C ATOM 1489 O VAL A 95 5.108 6.537 4.727 1.00 0.00 O ATOM 1490 CB VAL A 95 4.246 9.365 5.002 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.731 9.335 4.750 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.689 10.785 5.378 1.00 0.00 C ATOM 0 H VAL A 95 6.691 8.545 5.737 1.00 0.00 H new ATOM 0 HA VAL A 95 3.957 8.575 6.997 1.00 0.00 H new ATOM 0 HB VAL A 95 4.775 9.071 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.481 10.032 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.430 8.328 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.205 9.623 5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.440 11.470 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.177 11.097 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.766 10.798 5.546 1.00 0.00 H new ATOM 1502 N TYR A 96 3.392 6.252 6.083 1.00 0.00 N ATOM 1503 CA TYR A 96 3.176 4.878 5.545 1.00 0.00 C ATOM 1504 C TYR A 96 1.681 4.557 5.447 1.00 0.00 C ATOM 1505 O TYR A 96 0.836 5.209 6.029 1.00 0.00 O ATOM 1506 CB TYR A 96 3.962 3.856 6.390 1.00 0.00 C ATOM 1507 CG TYR A 96 3.407 3.691 7.779 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.830 4.537 8.804 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.510 2.652 8.047 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.336 4.354 10.103 1.00 0.00 C ATOM 1511 CE2 TYR A 96 2.020 2.455 9.331 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.423 3.308 10.371 1.00 0.00 C ATOM 1513 OH TYR A 96 1.930 3.116 11.650 1.00 0.00 O ATOM 0 H TYR A 96 2.744 6.550 6.813 1.00 0.00 H new ATOM 0 HA TYR A 96 3.563 4.819 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.953 2.891 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.003 4.171 6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.535 5.329 8.598 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.196 1.997 7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.653 5.012 10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.331 1.648 9.529 1.00 0.00 H new ATOM 0 HH TYR A 96 1.314 2.354 11.652 1.00 0.00 H new ATOM 1523 N LEU A 97 1.359 3.585 4.642 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.062 3.203 4.411 1.00 0.00 C ATOM 1525 C LEU A 97 -0.209 1.691 4.528 1.00 0.00 C ATOM 1526 O LEU A 97 0.639 0.932 4.089 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.476 3.667 2.990 1.00 0.00 C ATOM 1528 CG LEU A 97 0.765 3.733 2.051 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.367 3.396 0.622 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.369 5.143 2.065 1.00 0.00 C ATOM 0 H LEU A 97 2.036 3.026 4.123 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.703 3.677 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.214 2.979 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.949 4.647 3.045 1.00 0.00 H new ATOM 0 HG LEU A 97 1.497 3.011 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.245 3.446 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.050 2.390 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.379 4.110 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.235 5.174 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.625 5.861 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.677 5.397 3.079 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.290 1.251 5.105 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.524 -0.210 5.247 1.00 0.00 C ATOM 1544 C LYS A 98 -2.945 -0.528 4.768 1.00 0.00 C ATOM 1545 O LYS A 98 -3.888 0.178 5.085 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.352 -0.589 6.720 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.533 -0.004 7.517 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.250 -0.019 9.013 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.403 -1.432 9.558 1.00 0.00 C ATOM 1550 NZ LYS A 98 -3.831 -1.850 9.444 1.00 0.00 N ATOM 0 H LYS A 98 -2.026 1.845 5.487 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.814 -0.780 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.320 -1.673 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.408 -0.202 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.724 1.018 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.435 -0.579 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.241 0.346 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.935 0.654 9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.765 -2.120 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.083 -1.470 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.046 -2.555 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.446 -1.021 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.997 -2.265 8.505 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.117 -1.576 3.998 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.486 -1.905 3.514 1.00 0.00 C ATOM 1566 C ALA A 99 -4.571 -3.385 3.067 1.00 0.00 C ATOM 1567 O ALA A 99 -3.621 -3.920 2.527 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.821 -0.997 2.330 1.00 0.00 C ATOM 0 H ALA A 99 -2.377 -2.207 3.690 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.196 -1.750 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.822 -1.228 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.782 0.045 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.098 -1.160 1.531 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.714 -4.029 3.242 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.926 -5.444 2.801 1.00 0.00 C ATOM 1576 C PRO A 100 -6.434 -5.522 1.349 1.00 0.00 C ATOM 1577 O PRO A 100 -7.619 -5.408 1.105 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.022 -5.915 3.751 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.878 -4.700 3.966 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.928 -3.498 3.902 1.00 0.00 C ATOM 0 HA PRO A 100 -5.011 -6.035 2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.597 -6.735 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.605 -6.278 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.652 -4.627 3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.385 -4.746 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.363 -2.676 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.704 -3.114 4.897 1.00 0.00 H new ATOM 1588 N MET A 101 -5.561 -5.715 0.390 1.00 0.00 N ATOM 1589 CA MET A 101 -6.023 -5.769 -1.049 1.00 0.00 C ATOM 1590 C MET A 101 -6.249 -7.212 -1.510 1.00 0.00 C ATOM 1591 O MET A 101 -5.393 -8.050 -1.359 1.00 0.00 O ATOM 1592 CB MET A 101 -4.942 -5.122 -1.936 1.00 0.00 C ATOM 1593 CG MET A 101 -5.390 -5.090 -3.409 1.00 0.00 C ATOM 1594 SD MET A 101 -6.724 -3.880 -3.621 1.00 0.00 S ATOM 1595 CE MET A 101 -5.720 -2.365 -3.643 1.00 0.00 C ATOM 0 H MET A 101 -4.558 -5.837 0.530 1.00 0.00 H new ATOM 0 HA MET A 101 -6.969 -5.234 -1.131 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.741 -4.108 -1.590 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.010 -5.680 -1.847 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.547 -4.831 -4.049 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.731 -6.079 -3.716 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.976 -1.747 -2.783 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.663 -2.628 -3.599 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.918 -1.810 -4.560 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.380 -7.504 -2.121 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.610 -8.891 -2.650 1.00 0.00 C ATOM 1607 C ILE A 102 -7.118 -8.990 -4.089 1.00 0.00 C ATOM 1608 O ILE A 102 -7.459 -8.196 -4.943 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.088 -9.274 -2.579 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.948 -8.086 -3.009 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.439 -9.701 -1.152 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.414 -8.528 -3.040 1.00 0.00 C ATOM 0 H ILE A 102 -8.146 -6.848 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.048 -9.586 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.283 -10.108 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.818 -7.255 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.639 -7.732 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.493 -9.974 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.829 -10.558 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.246 -8.875 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.040 -7.690 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.532 -9.347 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.714 -8.862 -2.047 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.323 -9.992 -4.336 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.751 -10.252 -5.687 1.00 0.00 C ATOM 1626 C LEU A 103 -6.547 -11.390 -6.299 1.00 0.00 C ATOM 1627 O LEU A 103 -7.502 -11.849 -5.697 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.290 -10.675 -5.532 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.423 -9.443 -5.219 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.859 -8.795 -3.890 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -1.971 -9.903 -5.105 1.00 0.00 C ATOM 0 H LEU A 103 -6.035 -10.668 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.800 -9.364 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.197 -11.410 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.941 -11.154 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.536 -8.705 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.234 -7.926 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.901 -8.484 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.751 -9.517 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.334 -9.047 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.884 -10.637 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.657 -10.354 -6.046 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.200 -11.859 -7.474 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.984 -12.991 -8.039 1.00 0.00 C ATOM 1645 C ASN A 104 -6.766 -14.204 -7.110 1.00 0.00 C ATOM 1646 O ASN A 104 -6.182 -15.204 -7.483 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.488 -13.323 -9.451 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.494 -14.269 -10.133 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.350 -15.478 -10.089 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.518 -13.769 -10.765 1.00 0.00 N ATOM 0 H ASN A 104 -5.430 -11.516 -8.049 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.041 -12.733 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.377 -12.409 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.505 -13.792 -9.403 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.190 -14.389 -11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.647 -12.758 -10.807 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.208 -14.093 -5.885 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.028 -15.186 -4.903 1.00 0.00 C ATOM 1659 C GLY A 105 -7.745 -14.823 -3.595 1.00 0.00 C ATOM 1660 O GLY A 105 -8.918 -15.093 -3.419 1.00 0.00 O ATOM 0 H GLY A 105 -7.694 -13.273 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.428 -16.118 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.967 -15.349 -4.715 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.034 -14.226 -2.665 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.649 -13.854 -1.350 1.00 0.00 C ATOM 1666 C VAL A 106 -6.982 -12.552 -0.857 1.00 0.00 C ATOM 1667 O VAL A 106 -6.149 -11.980 -1.543 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.459 -15.006 -0.319 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.682 -15.073 0.611 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.324 -16.350 -1.043 1.00 0.00 C ATOM 0 H VAL A 106 -6.049 -13.980 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.721 -13.693 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.556 -14.809 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.547 -15.880 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.788 -14.127 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.579 -15.260 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.192 -17.146 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.224 -16.540 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.460 -16.321 -1.707 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.360 -12.056 0.292 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.762 -10.779 0.789 1.00 0.00 C ATOM 1682 C CYS A 107 -5.336 -10.976 1.279 1.00 0.00 C ATOM 1683 O CYS A 107 -4.996 -11.949 1.920 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.607 -10.217 1.934 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.139 -11.581 2.968 1.00 0.00 S ATOM 0 H CYS A 107 -8.055 -12.478 0.907 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.746 -10.080 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.027 -9.502 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.470 -9.681 1.540 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.376 -11.399 3.323 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.525 -10.001 0.999 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.105 -9.991 1.439 1.00 0.00 C ATOM 1693 C VAL A 108 -2.889 -8.647 2.132 1.00 0.00 C ATOM 1694 O VAL A 108 -3.575 -7.690 1.837 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.205 -10.155 0.212 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.271 -8.904 -0.662 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.765 -10.403 0.652 1.00 0.00 C ATOM 0 H VAL A 108 -4.799 -9.178 0.462 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.865 -10.805 2.123 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.555 -11.009 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.626 -9.033 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.298 -8.744 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.936 -8.041 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.131 -10.519 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.415 -9.557 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.720 -11.311 1.254 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.994 -8.559 3.078 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.806 -7.260 3.797 1.00 0.00 C ATOM 1709 C ILE A 109 -0.574 -6.520 3.255 1.00 0.00 C ATOM 1710 O ILE A 109 0.555 -6.947 3.388 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.648 -7.565 5.297 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.927 -6.301 6.133 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.232 -8.070 5.607 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.849 -6.651 7.615 1.00 0.00 C ATOM 0 H ILE A 109 -1.389 -9.321 3.384 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.669 -6.613 3.640 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.367 -8.342 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.201 -5.524 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.913 -5.902 5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.145 -8.279 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.039 -8.982 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.496 -7.308 5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.046 -5.759 8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.592 -7.414 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.854 -7.030 7.847 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.796 -5.390 2.650 1.00 0.00 N ATOM 1727 CA TRP A 110 0.325 -4.577 2.110 1.00 0.00 C ATOM 1728 C TRP A 110 0.543 -3.394 3.056 1.00 0.00 C ATOM 1729 O TRP A 110 -0.384 -2.693 3.385 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.073 -4.065 0.727 1.00 0.00 C ATOM 1731 CG TRP A 110 1.114 -3.496 0.014 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.875 -4.184 -0.858 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.671 -2.155 0.065 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.875 -3.355 -1.343 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.793 -2.096 -0.795 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.324 -0.992 0.777 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.533 -0.926 -0.946 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.071 0.183 0.625 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.172 0.215 -0.227 1.00 0.00 C ATOM 0 H TRP A 110 -1.722 -4.989 2.504 1.00 0.00 H new ATOM 0 HA TRP A 110 1.239 -5.165 2.030 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.500 -4.879 0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.846 -3.302 0.824 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.730 -5.218 -1.136 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.582 -3.642 -2.020 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.476 -1.005 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.381 -0.901 -1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.791 1.071 1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.747 1.123 -0.332 1.00 0.00 H new ATOM 1750 N LYS A 111 1.749 -3.148 3.505 1.00 0.00 N ATOM 1751 CA LYS A 111 1.988 -1.984 4.419 1.00 0.00 C ATOM 1752 C LYS A 111 3.383 -1.412 4.174 1.00 0.00 C ATOM 1753 O LYS A 111 4.284 -1.517 4.985 1.00 0.00 O ATOM 1754 CB LYS A 111 1.820 -2.394 5.883 1.00 0.00 C ATOM 1755 CG LYS A 111 2.565 -3.699 6.148 1.00 0.00 C ATOM 1756 CD LYS A 111 2.227 -4.213 7.549 1.00 0.00 C ATOM 1757 CE LYS A 111 3.127 -5.410 7.905 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.646 -5.992 9.170 1.00 0.00 N ATOM 0 H LYS A 111 2.577 -3.700 3.280 1.00 0.00 H new ATOM 0 HA LYS A 111 1.248 -1.214 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.202 -1.609 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.762 -2.516 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.290 -4.444 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.640 -3.540 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.363 -3.416 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.179 -4.510 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.100 -6.155 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.164 -5.089 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.243 -6.804 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.693 -5.275 9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.662 -6.308 9.055 1.00 0.00 H new ATOM 1772 N GLY A 112 3.549 -0.791 3.051 1.00 0.00 N ATOM 1773 CA GLY A 112 4.861 -0.196 2.729 1.00 0.00 C ATOM 1774 C GLY A 112 5.056 1.072 3.533 1.00 0.00 C ATOM 1775 O GLY A 112 4.101 1.705 3.927 1.00 0.00 O ATOM 0 H GLY A 112 2.829 -0.670 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.658 -0.906 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.920 0.025 1.663 1.00 0.00 H new ATOM 1779 N TRP A 113 6.280 1.467 3.758 1.00 0.00 N ATOM 1780 CA TRP A 113 6.538 2.743 4.513 1.00 0.00 C ATOM 1781 C TRP A 113 7.693 3.460 3.843 1.00 0.00 C ATOM 1782 O TRP A 113 8.433 2.893 3.076 1.00 0.00 O ATOM 1783 CB TRP A 113 6.876 2.478 5.990 1.00 0.00 C ATOM 1784 CG TRP A 113 8.021 1.532 6.111 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.898 0.195 6.266 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.453 1.816 6.095 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.174 -0.368 6.327 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.163 0.598 6.237 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.197 3.005 5.966 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.562 0.566 6.262 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.604 2.975 5.986 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.284 1.758 6.133 1.00 0.00 C ATOM 0 H TRP A 113 7.116 0.967 3.455 1.00 0.00 H new ATOM 0 HA TRP A 113 5.635 3.353 4.495 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.121 3.417 6.486 1.00 0.00 H new ATOM 0 HB3 TRP A 113 6.004 2.067 6.499 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.967 -0.348 6.332 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.356 -1.367 6.426 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.683 3.948 5.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 12.082 -0.373 6.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.163 3.894 5.888 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.364 1.740 6.147 1.00 0.00 H new ATOM 1803 N ILE A 114 7.821 4.715 4.083 1.00 0.00 N ATOM 1804 CA ILE A 114 8.900 5.493 3.420 1.00 0.00 C ATOM 1805 C ILE A 114 9.239 6.717 4.257 1.00 0.00 C ATOM 1806 O ILE A 114 8.388 7.271 4.929 1.00 0.00 O ATOM 1807 CB ILE A 114 8.393 5.960 2.056 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.014 6.617 2.244 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.284 4.784 1.095 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.443 7.058 0.883 1.00 0.00 C ATOM 0 H ILE A 114 7.225 5.251 4.714 1.00 0.00 H new ATOM 0 HA ILE A 114 9.787 4.869 3.310 1.00 0.00 H new ATOM 0 HB ILE A 114 9.095 6.679 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.331 5.915 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.101 7.478 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.921 5.136 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.265 4.325 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.588 4.048 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.467 7.521 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.119 7.777 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.338 6.189 0.234 1.00 0.00 H new ATOM 1822 N ASP A 115 10.477 7.144 4.235 1.00 0.00 N ATOM 1823 CA ASP A 115 10.855 8.330 5.038 1.00 0.00 C ATOM 1824 C ASP A 115 10.358 9.602 4.338 1.00 0.00 C ATOM 1825 O ASP A 115 9.958 9.594 3.185 1.00 0.00 O ATOM 1826 CB ASP A 115 12.365 8.359 5.219 1.00 0.00 C ATOM 1827 CG ASP A 115 12.742 9.530 6.131 1.00 0.00 C ATOM 1828 OD1 ASP A 115 12.653 10.666 5.687 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.118 9.271 7.259 1.00 0.00 O ATOM 0 H ASP A 115 11.233 6.721 3.697 1.00 0.00 H new ATOM 0 HA ASP A 115 10.392 8.277 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.709 7.420 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.857 8.463 4.252 1.00 0.00 H new ATOM 1834 N LEU A 116 10.323 10.686 5.054 1.00 0.00 N ATOM 1835 CA LEU A 116 9.780 11.965 4.489 1.00 0.00 C ATOM 1836 C LEU A 116 10.684 12.596 3.387 1.00 0.00 C ATOM 1837 O LEU A 116 10.236 13.458 2.657 1.00 0.00 O ATOM 1838 CB LEU A 116 9.597 12.968 5.657 1.00 0.00 C ATOM 1839 CG LEU A 116 8.475 13.987 5.359 1.00 0.00 C ATOM 1840 CD1 LEU A 116 8.033 14.645 6.681 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.951 15.096 4.373 1.00 0.00 C ATOM 0 H LEU A 116 10.649 10.749 6.018 1.00 0.00 H new ATOM 0 HA LEU A 116 8.832 11.736 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.362 12.424 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.533 13.498 5.833 1.00 0.00 H new ATOM 0 HG LEU A 116 7.646 13.454 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.241 15.366 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.663 13.879 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.882 15.155 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.134 15.794 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.794 15.632 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.258 14.639 3.432 1.00 0.00 H new ATOM 1853 N HIS A 117 11.929 12.200 3.235 1.00 0.00 N ATOM 1854 CA HIS A 117 12.779 12.834 2.158 1.00 0.00 C ATOM 1855 C HIS A 117 12.772 11.954 0.889 1.00 0.00 C ATOM 1856 O HIS A 117 12.032 12.217 -0.033 1.00 0.00 O ATOM 1857 CB HIS A 117 14.225 13.033 2.656 1.00 0.00 C ATOM 1858 CG HIS A 117 14.679 11.864 3.491 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.779 11.931 4.342 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.208 10.594 3.595 1.00 0.00 C ATOM 1861 CE1 HIS A 117 15.924 10.727 4.905 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.994 9.872 4.485 1.00 0.00 N ATOM 0 H HIS A 117 12.390 11.482 3.794 1.00 0.00 H new ATOM 0 HA HIS A 117 12.358 13.810 1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.893 13.155 1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.287 13.949 3.243 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.366 12.749 4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.351 10.204 3.065 1.00 0.00 H new ATOM 0 HE1 HIS A 117 16.700 10.479 5.614 1.00 0.00 H new ATOM 1870 N ARG A 118 13.564 10.911 0.835 1.00 0.00 N ATOM 1871 CA ARG A 118 13.566 10.022 -0.385 1.00 0.00 C ATOM 1872 C ARG A 118 12.592 8.848 -0.197 1.00 0.00 C ATOM 1873 O ARG A 118 12.606 8.162 0.799 1.00 0.00 O ATOM 1874 CB ARG A 118 14.992 9.503 -0.621 1.00 0.00 C ATOM 1875 CG ARG A 118 15.420 8.583 0.536 1.00 0.00 C ATOM 1876 CD ARG A 118 16.920 8.304 0.432 1.00 0.00 C ATOM 1877 NE ARG A 118 17.302 7.226 1.401 1.00 0.00 N ATOM 1878 CZ ARG A 118 17.096 7.357 2.684 1.00 0.00 C ATOM 1879 NH1 ARG A 118 16.720 8.497 3.185 1.00 0.00 N ATOM 1880 NH2 ARG A 118 17.314 6.342 3.478 1.00 0.00 N ATOM 0 H ARG A 118 14.208 10.632 1.575 1.00 0.00 H new ATOM 0 HA ARG A 118 13.238 10.595 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.037 8.959 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.683 10.342 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 118 15.191 9.053 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.861 7.648 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 118 17.174 8.000 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 118 17.484 9.213 0.643 1.00 0.00 H new ATOM 0 HE ARG A 118 17.733 6.370 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 118 16.583 9.302 2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.563 8.586 4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 118 17.643 5.456 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.156 6.436 4.481 1.00 0.00 H new ATOM 1894 N LEU A 119 11.738 8.632 -1.160 1.00 0.00 N ATOM 1895 CA LEU A 119 10.737 7.524 -1.065 1.00 0.00 C ATOM 1896 C LEU A 119 11.359 6.181 -1.488 1.00 0.00 C ATOM 1897 O LEU A 119 10.858 5.525 -2.365 1.00 0.00 O ATOM 1898 CB LEU A 119 9.480 7.830 -1.938 1.00 0.00 C ATOM 1899 CG LEU A 119 9.412 9.313 -2.336 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.634 10.244 -1.119 1.00 0.00 C ATOM 1901 CD2 LEU A 119 10.439 9.605 -3.462 1.00 0.00 C ATOM 0 H LEU A 119 11.688 9.180 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 119 10.426 7.450 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 119 9.502 7.213 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.579 7.559 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 119 8.410 9.520 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.579 11.284 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.864 10.055 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 119 10.616 10.050 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.385 10.658 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 119 11.443 9.374 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.211 8.989 -4.332 1.00 0.00 H new ATOM 1913 N ASP A 120 12.431 5.749 -0.870 1.00 0.00 N ATOM 1914 CA ASP A 120 13.046 4.420 -1.253 1.00 0.00 C ATOM 1915 C ASP A 120 12.963 3.490 -0.035 1.00 0.00 C ATOM 1916 O ASP A 120 13.895 2.790 0.312 1.00 0.00 O ATOM 1917 CB ASP A 120 14.504 4.647 -1.663 1.00 0.00 C ATOM 1918 CG ASP A 120 15.299 5.118 -0.453 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.690 5.344 0.579 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.506 5.238 -0.578 1.00 0.00 O ATOM 0 H ASP A 120 12.911 6.248 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 120 12.517 3.968 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.931 3.725 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.559 5.389 -2.460 1.00 0.00 H new ATOM 1925 N GLY A 121 11.843 3.518 0.625 1.00 0.00 N ATOM 1926 CA GLY A 121 11.656 2.697 1.857 1.00 0.00 C ATOM 1927 C GLY A 121 11.641 1.212 1.552 1.00 0.00 C ATOM 1928 O GLY A 121 12.199 0.750 0.580 1.00 0.00 O ATOM 0 H GLY A 121 11.035 4.082 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.458 2.914 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.721 2.977 2.341 1.00 0.00 H new ATOM 1932 N MET A 122 10.974 0.466 2.391 1.00 0.00 N ATOM 1933 CA MET A 122 10.859 -1.005 2.199 1.00 0.00 C ATOM 1934 C MET A 122 9.431 -1.399 2.557 1.00 0.00 C ATOM 1935 O MET A 122 8.736 -0.658 3.230 1.00 0.00 O ATOM 1936 CB MET A 122 11.820 -1.729 3.122 1.00 0.00 C ATOM 1937 CG MET A 122 13.237 -1.252 2.835 1.00 0.00 C ATOM 1938 SD MET A 122 14.380 -2.105 3.952 1.00 0.00 S ATOM 1939 CE MET A 122 14.213 -3.760 3.236 1.00 0.00 C ATOM 0 H MET A 122 10.495 0.824 3.217 1.00 0.00 H new ATOM 0 HA MET A 122 11.098 -1.272 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.561 -1.535 4.163 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.748 -2.806 2.971 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.501 -1.457 1.797 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.307 -0.173 2.975 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.132 -4.322 3.401 1.00 0.00 H new ATOM 0 HE2 MET A 122 13.380 -4.279 3.710 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.026 -3.676 2.165 1.00 0.00 H new ATOM 1949 N GLY A 123 8.966 -2.537 2.133 1.00 0.00 N ATOM 1950 CA GLY A 123 7.579 -2.915 2.479 1.00 0.00 C ATOM 1951 C GLY A 123 7.402 -4.426 2.424 1.00 0.00 C ATOM 1952 O GLY A 123 7.482 -5.028 1.383 1.00 0.00 O ATOM 0 H GLY A 123 9.482 -3.212 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.336 -2.552 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.884 -2.437 1.789 1.00 0.00 H new ATOM 1956 N CYS A 124 7.171 -5.056 3.544 1.00 0.00 N ATOM 1957 CA CYS A 124 6.990 -6.533 3.535 1.00 0.00 C ATOM 1958 C CYS A 124 5.551 -6.873 3.191 1.00 0.00 C ATOM 1959 O CYS A 124 4.635 -6.242 3.674 1.00 0.00 O ATOM 1960 CB CYS A 124 7.315 -7.122 4.904 1.00 0.00 C ATOM 1961 SG CYS A 124 7.307 -8.929 4.797 1.00 0.00 S ATOM 0 H CYS A 124 7.100 -4.613 4.460 1.00 0.00 H new ATOM 0 HA CYS A 124 7.665 -6.954 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.290 -6.771 5.241 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.584 -6.787 5.639 1.00 0.00 H new ATOM 0 HG CYS A 124 6.623 -9.419 5.788 1.00 0.00 H new ATOM 1967 N LEU A 125 5.360 -7.875 2.378 1.00 0.00 N ATOM 1968 CA LEU A 125 3.967 -8.300 1.982 1.00 0.00 C ATOM 1969 C LEU A 125 3.772 -9.747 2.383 1.00 0.00 C ATOM 1970 O LEU A 125 4.631 -10.565 2.198 1.00 0.00 O ATOM 1971 CB LEU A 125 3.833 -8.122 0.471 1.00 0.00 C ATOM 1972 CG LEU A 125 2.500 -8.672 -0.054 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.353 -7.859 0.539 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.471 -8.520 -1.574 1.00 0.00 C ATOM 0 H LEU A 125 6.109 -8.428 1.962 1.00 0.00 H new ATOM 0 HA LEU A 125 3.206 -7.699 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.913 -7.064 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.658 -8.630 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 125 2.396 -9.720 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.403 -8.246 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.377 -7.935 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.458 -6.814 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.528 -8.907 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.565 -7.466 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.299 -9.078 -2.011 1.00 0.00 H new ATOM 1986 N GLU A 126 2.659 -10.058 2.964 1.00 0.00 N ATOM 1987 CA GLU A 126 2.426 -11.466 3.426 1.00 0.00 C ATOM 1988 C GLU A 126 0.938 -11.839 3.361 1.00 0.00 C ATOM 1989 O GLU A 126 0.083 -11.088 3.788 1.00 0.00 O ATOM 1990 CB GLU A 126 2.874 -11.569 4.888 1.00 0.00 C ATOM 1991 CG GLU A 126 4.368 -11.217 5.002 1.00 0.00 C ATOM 1992 CD GLU A 126 4.864 -11.489 6.418 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.037 -11.754 7.268 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.069 -11.439 6.624 1.00 0.00 O ATOM 0 H GLU A 126 1.894 -9.408 3.145 1.00 0.00 H new ATOM 0 HA GLU A 126 2.986 -12.141 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.284 -10.894 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.699 -12.578 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.944 -11.805 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.523 -10.168 4.749 1.00 0.00 H new ATOM 2001 N PHE A 127 0.627 -13.013 2.857 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.801 -13.463 2.801 1.00 0.00 C ATOM 2003 C PHE A 127 -1.213 -14.018 4.180 1.00 0.00 C ATOM 2004 O PHE A 127 -0.990 -15.176 4.462 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.923 -14.557 1.710 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.617 -14.030 0.470 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -3.003 -14.129 0.362 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -0.878 -13.475 -0.581 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -3.652 -13.674 -0.788 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -1.525 -13.019 -1.731 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.916 -13.120 -1.839 1.00 0.00 C ATOM 0 H PHE A 127 1.303 -13.679 2.482 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.461 -12.631 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.070 -14.921 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.479 -15.407 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.577 -14.559 1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.196 -13.399 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -4.727 -13.751 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.951 -12.588 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.418 -12.772 -2.729 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.795 -13.213 5.053 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.178 -13.757 6.407 1.00 0.00 C ATOM 2023 C ASP A 128 -3.408 -13.052 6.989 1.00 0.00 C ATOM 2024 O ASP A 128 -3.620 -13.052 8.186 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.997 -13.560 7.350 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.227 -14.360 8.633 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.256 -14.999 8.738 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.371 -14.319 9.489 1.00 0.00 O ATOM 0 H ASP A 128 -2.016 -12.230 4.893 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.429 -14.812 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.075 -13.884 6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.879 -12.502 7.585 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.205 -12.457 6.169 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.411 -11.736 6.686 1.00 0.00 C ATOM 2035 C GLU A 129 -6.452 -12.701 7.263 1.00 0.00 C ATOM 2036 O GLU A 129 -6.908 -13.647 6.622 1.00 0.00 O ATOM 2037 CB GLU A 129 -6.013 -10.904 5.560 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.080 -9.745 5.213 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.072 -8.707 6.354 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.374 -8.914 7.333 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.774 -7.715 6.228 1.00 0.00 O ATOM 0 H GLU A 129 -4.085 -12.431 5.156 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.101 -11.084 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.174 -11.528 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.988 -10.520 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.070 -10.119 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.404 -9.274 4.285 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.864 -12.461 8.479 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.871 -13.364 9.077 1.00 0.00 C ATOM 2050 C GLU A 130 -9.123 -13.319 8.216 1.00 0.00 C ATOM 2051 O GLU A 130 -9.833 -14.289 8.103 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.190 -12.918 10.522 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.939 -11.591 10.495 1.00 0.00 C ATOM 2054 CD GLU A 130 -9.049 -11.035 11.918 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.148 -10.320 12.324 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -10.043 -11.317 12.572 1.00 0.00 O ATOM 0 H GLU A 130 -6.550 -11.691 9.070 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.488 -14.384 9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.792 -13.676 11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.267 -12.815 11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.417 -10.880 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.933 -11.731 10.071 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.398 -12.218 7.582 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.598 -12.171 6.713 1.00 0.00 C ATOM 2065 C ARG A 131 -10.335 -13.065 5.511 1.00 0.00 C ATOM 2066 O ARG A 131 -11.248 -13.451 4.813 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.922 -10.734 6.261 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.641 -9.966 5.945 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.968 -8.535 5.483 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.755 -7.829 6.536 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.890 -6.523 6.507 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.424 -5.833 5.502 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -11.545 -5.927 7.472 1.00 0.00 N ATOM 0 H ARG A 131 -8.851 -11.359 7.627 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.465 -12.523 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.563 -10.760 5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.478 -10.218 7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -9.004 -9.932 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.081 -10.486 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.046 -7.990 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.534 -8.564 4.552 1.00 0.00 H new ATOM 0 HE ARG A 131 -11.192 -8.366 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.952 -6.308 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.532 -4.819 5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -11.943 -6.477 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -11.657 -4.913 7.462 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.099 -13.436 5.293 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.795 -14.343 4.150 1.00 0.00 C ATOM 2089 C ALA A 132 -9.485 -15.672 4.382 1.00 0.00 C ATOM 2090 O ALA A 132 -10.182 -16.176 3.522 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.288 -14.573 4.070 1.00 0.00 C ATOM 0 H ALA A 132 -8.295 -13.152 5.853 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.146 -13.894 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.065 -15.236 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.782 -13.619 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.940 -15.028 4.997 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.322 -16.249 5.522 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.011 -17.564 5.722 1.00 0.00 C ATOM 2099 C GLN A 133 -11.545 -17.394 5.596 1.00 0.00 C ATOM 2100 O GLN A 133 -12.231 -18.236 5.034 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.659 -18.145 7.110 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.517 -17.493 8.208 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.859 -17.742 9.572 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.661 -17.644 9.689 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.583 -18.074 10.605 1.00 0.00 N ATOM 0 H GLN A 133 -8.769 -15.898 6.304 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.669 -18.254 4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.819 -19.223 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.603 -17.980 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.611 -16.423 8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.525 -17.909 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.595 -18.158 10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.137 -18.249 11.505 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.099 -16.328 6.129 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.593 -16.157 6.044 1.00 0.00 C ATOM 2116 C GLN A 134 -13.999 -15.658 4.657 1.00 0.00 C ATOM 2117 O GLN A 134 -14.987 -16.107 4.107 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.088 -15.190 7.157 1.00 0.00 C ATOM 2119 CG GLN A 134 -14.081 -13.725 6.678 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.169 -12.763 7.873 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.440 -12.895 8.842 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -15.059 -11.806 7.840 1.00 0.00 N ATOM 0 H GLN A 134 -11.597 -15.582 6.610 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.067 -17.126 6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.097 -15.470 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.451 -15.289 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.171 -13.527 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.920 -13.553 6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.665 -11.701 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.147 -11.164 8.628 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.261 -14.726 4.088 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.655 -14.214 2.741 1.00 0.00 C ATOM 2133 C GLU A 135 -13.414 -15.301 1.689 1.00 0.00 C ATOM 2134 O GLU A 135 -14.124 -15.406 0.702 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.886 -12.915 2.415 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.504 -13.216 1.784 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.649 -13.280 0.259 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -11.563 -12.238 -0.362 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.855 -14.367 -0.258 1.00 0.00 O ATOM 0 H GLU A 135 -12.422 -14.309 4.492 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.717 -13.970 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.475 -12.305 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.752 -12.332 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.788 -12.442 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.115 -14.161 2.164 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.448 -16.138 1.912 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.200 -17.218 0.943 1.00 0.00 C ATOM 2148 C ASP A 136 -13.449 -18.093 0.867 1.00 0.00 C ATOM 2149 O ASP A 136 -13.869 -18.496 -0.203 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.015 -18.031 1.442 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.688 -19.109 0.425 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.456 -19.244 -0.505 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.676 -19.772 0.582 1.00 0.00 O ATOM 0 H ASP A 136 -11.825 -16.118 2.720 1.00 0.00 H new ATOM 0 HA ASP A 136 -11.980 -16.822 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.152 -17.383 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.248 -18.482 2.406 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.067 -18.368 1.981 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.314 -19.193 1.945 1.00 0.00 C ATOM 2160 C ALA A 137 -16.370 -18.456 1.104 1.00 0.00 C ATOM 2161 O ALA A 137 -17.001 -19.030 0.233 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.869 -19.403 3.370 1.00 0.00 C ATOM 0 H ALA A 137 -13.770 -18.063 2.908 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.083 -20.165 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.776 -20.005 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.124 -19.916 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.099 -18.436 3.817 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.582 -17.187 1.383 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.608 -16.397 0.633 1.00 0.00 C ATOM 2170 C LEU A 138 -17.042 -15.939 -0.729 1.00 0.00 C ATOM 2171 O LEU A 138 -17.721 -15.301 -1.508 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.987 -15.150 1.443 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.416 -15.531 2.864 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.778 -14.261 3.622 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.635 -16.466 2.808 1.00 0.00 C ATOM 0 H LEU A 138 -16.083 -16.665 2.103 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.482 -17.028 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.138 -14.467 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.798 -14.620 0.944 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.600 -16.047 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.085 -14.517 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.911 -13.601 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.597 -13.754 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.935 -16.733 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.460 -15.959 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.376 -17.369 2.256 1.00 0.00 H new ATOM 2187 N ALA A 139 -15.812 -16.250 -1.040 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.262 -15.786 -2.349 1.00 0.00 C ATOM 2189 C ALA A 139 -16.097 -16.379 -3.482 1.00 0.00 C ATOM 2190 O ALA A 139 -16.224 -15.795 -4.543 1.00 0.00 O ATOM 2191 CB ALA A 139 -13.803 -16.249 -2.499 1.00 0.00 C ATOM 0 H ALA A 139 -15.174 -16.794 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.299 -14.697 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.409 -15.907 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.204 -15.832 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.761 -17.337 -2.458 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.670 -17.533 -3.262 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.483 -18.188 -4.309 1.00 0.00 C ATOM 2199 C GLN A 140 -18.876 -17.561 -4.329 1.00 0.00 C ATOM 2200 O GLN A 140 -19.386 -17.140 -3.318 1.00 0.00 O ATOM 2201 CB GLN A 140 -17.577 -19.656 -3.950 1.00 0.00 C ATOM 2202 CG GLN A 140 -18.175 -20.395 -5.130 1.00 0.00 C ATOM 2203 CD GLN A 140 -18.319 -21.869 -4.793 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -17.938 -22.282 -3.717 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -18.848 -22.685 -5.666 1.00 0.00 N ATOM 0 H GLN A 140 -16.604 -18.051 -2.386 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.035 -18.065 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -16.590 -20.053 -3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.196 -19.792 -3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -19.148 -19.973 -5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -17.540 -20.273 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -19.166 -22.331 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -18.943 -23.676 -5.445 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.478 -17.474 -5.483 1.00 0.00 N ATOM 2215 CA GLN A 141 -20.827 -16.839 -5.594 1.00 0.00 C ATOM 2216 C GLN A 141 -21.937 -17.883 -5.464 1.00 0.00 C ATOM 2217 O GLN A 141 -21.622 -19.047 -5.263 1.00 0.00 O ATOM 2218 CB GLN A 141 -20.923 -16.153 -6.958 1.00 0.00 C ATOM 2219 CG GLN A 141 -19.820 -15.092 -7.039 1.00 0.00 C ATOM 2220 CD GLN A 141 -19.893 -14.371 -8.383 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -20.960 -13.974 -8.812 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -18.799 -14.196 -9.077 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.091 -17.495 -5.545 1.00 0.00 O ATOM 0 H GLN A 141 -19.092 -17.818 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 141 -20.952 -16.115 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -20.808 -16.883 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -21.903 -15.693 -7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -19.932 -14.376 -6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -18.843 -15.560 -6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -17.906 -14.530 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -18.838 -13.725 -9.981 1.00 0.00 H new TER 2232 GLN A 141