USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1205 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 28 THR OG1 : rot 36:sc= 1.09 USER MOD Set 1.2: B 69 ASN : amide:sc= 0 K(o=1.1,f=0.073) USER MOD Set 2.1: A 27 HIS : no HE2:sc= 0.561 K(o=0.69,f=-2.4!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -155:sc= 0.131 (180deg=0) USER MOD Single : A 3 SER OG : rot 16:sc= 0.826 USER MOD Single : A 7 GLN : amide:sc=-0.00697 X(o=-0.007,f=-0.39) USER MOD Single : A 17 HIS : no HE2:sc= 0.724 K(o=0.72,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 1 (180deg=0.803) USER MOD Single : A 19 TYR OH : rot 5:sc= 0.879 USER MOD Single : A 20 SER OG : rot 164:sc= 0.782 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0.663 (180deg=0.476) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0.936 (180deg=0.879) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 30 SER OG : rot -53:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 134:sc= 0.00355 (180deg=-0.0657) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.293 X(o=0.29,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0234) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= -0.293 (180deg=-0.473) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 1.12 K(o=1.1,f=-0.012) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0.552 (180deg=0.499) USER MOD Single : A 66 GLN : amide:sc= 0.408 K(o=0.41,f=-0.32) USER MOD Single : A 69 ASN : amide:sc= -0.384 K(o=-0.38,f=-3.3!) USER MOD Single : A 71 GLN : amide:sc= 0.884 K(o=0.88,f=-3.7!) USER MOD Single : A 73 TYR OH : rot 112:sc= 0.0349 USER MOD Single : A 75 THR OG1 : rot 32:sc= 1 USER MOD Single : A 82 MET CE :methyl 174:sc= 0 (180deg=-0.0534) USER MOD Single : A 84 TYR OH : rot -153:sc= 1.12 USER MOD Single : A 85 ASN : amide:sc= 0.342 X(o=0.34,f=-0.043) USER MOD Single : B 3 SER OG : rot 26:sc= 0.22 USER MOD Single : B 7 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.28) USER MOD Single : B 17 HIS : no HE2:sc= 0.227 K(o=0.23,f=-3.2!) USER MOD Single : B 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0531) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -176:sc= 1.32 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ -121:sc= 0.218 (180deg=0) USER MOD Single : B 27 HIS : no HE2:sc= 0.446 K(o=0.45,f=-3.5!) USER MOD Single : B 30 SER OG : rot -43:sc= 1.05 USER MOD Single : B 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00978) USER MOD Single : B 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0494) USER MOD Single : B 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0093) USER MOD Single : B 39 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.24) USER MOD Single : B 40 LYS NZ :NH3+ -167:sc= -0.0986 (180deg=-0.28) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 63 ASN : amide:sc= 1.25 K(o=1.3,f=-2!) USER MOD Single : B 64 LYS NZ :NH3+ 177:sc= 0.967 (180deg=0.959) USER MOD Single : B 66 GLN :FLIP amide:sc= -0.051 F(o=-0.78!,f=-0.051) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 76:sc= 1.08 USER MOD Single : B 82 MET CE :methyl 168:sc= -0.0134 (180deg=-0.227) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -12.289 8.439 7.718 1.00 0.00 N ATOM 31 CA SER A 3 -13.275 7.375 7.640 1.00 0.00 C ATOM 32 C SER A 3 -13.298 6.673 6.277 1.00 0.00 C ATOM 33 O SER A 3 -13.158 5.457 6.249 1.00 0.00 O ATOM 34 CB SER A 3 -14.649 7.899 8.086 1.00 0.00 C ATOM 35 OG SER A 3 -14.490 9.139 8.764 1.00 0.00 O ATOM 0 HA SER A 3 -12.981 6.589 8.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.299 8.027 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.131 7.174 8.742 1.00 0.00 H new ATOM 0 HG SER A 3 -13.597 9.499 8.583 1.00 0.00 H new ATOM 41 N PRO A 4 -13.422 7.385 5.144 1.00 0.00 N ATOM 42 CA PRO A 4 -13.398 6.763 3.827 1.00 0.00 C ATOM 43 C PRO A 4 -12.135 5.923 3.596 1.00 0.00 C ATOM 44 O PRO A 4 -12.216 4.785 3.134 1.00 0.00 O ATOM 45 CB PRO A 4 -13.499 7.921 2.829 1.00 0.00 C ATOM 46 CG PRO A 4 -14.190 9.024 3.626 1.00 0.00 C ATOM 47 CD PRO A 4 -13.592 8.824 5.015 1.00 0.00 C ATOM 0 HA PRO A 4 -14.221 6.057 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.516 8.235 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.077 7.641 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.974 10.015 3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.274 8.910 3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.640 9.345 5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.252 9.215 5.790 1.00 0.00 H new ATOM 55 N LEU A 5 -10.962 6.474 3.930 1.00 0.00 N ATOM 56 CA LEU A 5 -9.696 5.764 3.792 1.00 0.00 C ATOM 57 C LEU A 5 -9.739 4.509 4.663 1.00 0.00 C ATOM 58 O LEU A 5 -9.446 3.413 4.194 1.00 0.00 O ATOM 59 CB LEU A 5 -8.508 6.660 4.188 1.00 0.00 C ATOM 60 CG LEU A 5 -8.378 7.949 3.358 1.00 0.00 C ATOM 61 CD1 LEU A 5 -7.372 8.893 4.028 1.00 0.00 C ATOM 62 CD2 LEU A 5 -7.897 7.653 1.934 1.00 0.00 C ATOM 0 H LEU A 5 -10.869 7.420 4.301 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.555 5.484 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.606 6.928 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.587 6.085 4.090 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.364 8.411 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.281 9.805 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.719 9.142 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.400 8.404 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.816 8.586 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.922 7.168 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.610 6.994 1.439 1.00 0.00 H new ATOM 74 N ASP A 6 -10.133 4.663 5.929 1.00 0.00 N ATOM 75 CA ASP A 6 -10.212 3.552 6.866 1.00 0.00 C ATOM 76 C ASP A 6 -11.161 2.462 6.376 1.00 0.00 C ATOM 77 O ASP A 6 -10.826 1.282 6.418 1.00 0.00 O ATOM 78 CB ASP A 6 -10.613 4.060 8.254 1.00 0.00 C ATOM 79 CG ASP A 6 -10.725 2.905 9.243 1.00 0.00 C ATOM 80 OD1 ASP A 6 -9.658 2.452 9.709 1.00 0.00 O ATOM 81 OD2 ASP A 6 -11.875 2.495 9.507 1.00 0.00 O ATOM 0 H ASP A 6 -10.405 5.562 6.328 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.223 3.098 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.875 4.779 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.566 4.585 8.192 1.00 0.00 H new ATOM 86 N GLN A 7 -12.335 2.850 5.889 1.00 0.00 N ATOM 87 CA GLN A 7 -13.302 1.948 5.292 1.00 0.00 C ATOM 88 C GLN A 7 -12.660 1.220 4.109 1.00 0.00 C ATOM 89 O GLN A 7 -12.823 0.010 3.966 1.00 0.00 O ATOM 90 CB GLN A 7 -14.544 2.743 4.865 1.00 0.00 C ATOM 91 CG GLN A 7 -15.336 3.253 6.080 1.00 0.00 C ATOM 92 CD GLN A 7 -16.198 4.467 5.735 1.00 0.00 C ATOM 93 OE1 GLN A 7 -16.138 5.499 6.398 1.00 0.00 O ATOM 94 NE2 GLN A 7 -17.008 4.361 4.685 1.00 0.00 N ATOM 0 H GLN A 7 -12.643 3.822 5.901 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.616 1.196 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.241 3.588 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.186 2.113 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -15.972 2.453 6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.643 3.516 6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -17.039 3.493 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.598 5.148 4.414 1.00 0.00 H new ATOM 103 N ALA A 8 -11.908 1.940 3.271 1.00 0.00 N ATOM 104 CA ALA A 8 -11.263 1.334 2.113 1.00 0.00 C ATOM 105 C ALA A 8 -10.228 0.301 2.560 1.00 0.00 C ATOM 106 O ALA A 8 -10.221 -0.829 2.075 1.00 0.00 O ATOM 107 CB ALA A 8 -10.644 2.407 1.216 1.00 0.00 C ATOM 0 H ALA A 8 -11.734 2.940 3.376 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.017 0.813 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.168 1.933 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.423 3.086 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.899 2.968 1.781 1.00 0.00 H new ATOM 113 N ILE A 9 -9.373 0.675 3.516 1.00 0.00 N ATOM 114 CA ILE A 9 -8.426 -0.238 4.146 1.00 0.00 C ATOM 115 C ILE A 9 -9.183 -1.458 4.679 1.00 0.00 C ATOM 116 O ILE A 9 -8.771 -2.589 4.439 1.00 0.00 O ATOM 117 CB ILE A 9 -7.618 0.496 5.236 1.00 0.00 C ATOM 118 CG1 ILE A 9 -6.725 1.569 4.584 1.00 0.00 C ATOM 119 CG2 ILE A 9 -6.755 -0.492 6.038 1.00 0.00 C ATOM 120 CD1 ILE A 9 -6.141 2.564 5.592 1.00 0.00 C ATOM 0 H ILE A 9 -9.321 1.628 3.875 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.700 -0.596 3.416 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.316 0.973 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.909 1.079 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.307 2.114 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.195 0.050 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.398 -1.231 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.060 -0.996 5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.522 3.292 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.952 3.080 6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.532 2.029 6.321 1.00 0.00 H new ATOM 132 N GLY A 10 -10.305 -1.226 5.367 1.00 0.00 N ATOM 133 CA GLY A 10 -11.222 -2.250 5.842 1.00 0.00 C ATOM 134 C GLY A 10 -11.601 -3.221 4.725 1.00 0.00 C ATOM 135 O GLY A 10 -11.428 -4.431 4.866 1.00 0.00 O ATOM 0 H GLY A 10 -10.605 -0.283 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.762 -2.800 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.122 -1.779 6.238 1.00 0.00 H new ATOM 139 N LEU A 11 -12.108 -2.697 3.605 1.00 0.00 N ATOM 140 CA LEU A 11 -12.441 -3.516 2.447 1.00 0.00 C ATOM 141 C LEU A 11 -11.220 -4.322 1.999 1.00 0.00 C ATOM 142 O LEU A 11 -11.324 -5.533 1.836 1.00 0.00 O ATOM 143 CB LEU A 11 -13.002 -2.664 1.297 1.00 0.00 C ATOM 144 CG LEU A 11 -14.365 -2.015 1.591 1.00 0.00 C ATOM 145 CD1 LEU A 11 -14.721 -1.040 0.463 1.00 0.00 C ATOM 146 CD2 LEU A 11 -15.486 -3.055 1.717 1.00 0.00 C ATOM 0 H LEU A 11 -12.296 -1.702 3.481 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.225 -4.215 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.284 -1.879 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.096 -3.290 0.410 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.279 -1.492 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.687 -0.580 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.957 -0.265 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.773 -1.580 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.429 -2.550 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.571 -3.613 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.255 -3.742 2.531 1.00 0.00 H new ATOM 158 N LEU A 12 -10.064 -3.679 1.811 1.00 0.00 N ATOM 159 CA LEU A 12 -8.855 -4.371 1.369 1.00 0.00 C ATOM 160 C LEU A 12 -8.477 -5.513 2.319 1.00 0.00 C ATOM 161 O LEU A 12 -8.346 -6.656 1.885 1.00 0.00 O ATOM 162 CB LEU A 12 -7.687 -3.387 1.198 1.00 0.00 C ATOM 163 CG LEU A 12 -7.555 -2.875 -0.245 1.00 0.00 C ATOM 164 CD1 LEU A 12 -8.766 -2.062 -0.699 1.00 0.00 C ATOM 165 CD2 LEU A 12 -6.302 -2.008 -0.351 1.00 0.00 C ATOM 0 H LEU A 12 -9.942 -2.677 1.959 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.070 -4.813 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.829 -2.540 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.758 -3.876 1.493 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.489 -3.747 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.615 -1.727 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.661 -2.682 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.887 -1.196 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.200 -1.640 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.385 -1.163 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.426 -2.601 -0.090 1.00 0.00 H new ATOM 177 N ILE A 13 -8.283 -5.224 3.609 1.00 0.00 N ATOM 178 CA ILE A 13 -7.861 -6.244 4.562 1.00 0.00 C ATOM 179 C ILE A 13 -8.926 -7.340 4.674 1.00 0.00 C ATOM 180 O ILE A 13 -8.589 -8.521 4.722 1.00 0.00 O ATOM 181 CB ILE A 13 -7.443 -5.625 5.912 1.00 0.00 C ATOM 182 CG1 ILE A 13 -6.631 -6.653 6.719 1.00 0.00 C ATOM 183 CG2 ILE A 13 -8.635 -5.111 6.727 1.00 0.00 C ATOM 184 CD1 ILE A 13 -6.044 -6.083 8.013 1.00 0.00 C ATOM 0 H ILE A 13 -8.412 -4.296 4.012 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.960 -6.731 4.190 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.825 -4.754 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.271 -7.501 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.820 -7.033 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.278 -4.687 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.160 -4.344 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.315 -5.936 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.484 -6.861 8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.378 -5.253 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.851 -5.728 8.654 1.00 0.00 H new ATOM 196 N GLY A 14 -10.209 -6.966 4.660 1.00 0.00 N ATOM 197 CA GLY A 14 -11.311 -7.912 4.627 1.00 0.00 C ATOM 198 C GLY A 14 -11.181 -8.852 3.429 1.00 0.00 C ATOM 199 O GLY A 14 -11.159 -10.071 3.589 1.00 0.00 O ATOM 0 H GLY A 14 -10.506 -5.990 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.327 -8.491 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.257 -7.374 4.572 1.00 0.00 H new ATOM 203 N ILE A 15 -11.068 -8.289 2.224 1.00 0.00 N ATOM 204 CA ILE A 15 -10.883 -9.046 0.994 1.00 0.00 C ATOM 205 C ILE A 15 -9.655 -9.949 1.124 1.00 0.00 C ATOM 206 O ILE A 15 -9.721 -11.119 0.757 1.00 0.00 O ATOM 207 CB ILE A 15 -10.817 -8.096 -0.220 1.00 0.00 C ATOM 208 CG1 ILE A 15 -12.217 -7.502 -0.476 1.00 0.00 C ATOM 209 CG2 ILE A 15 -10.326 -8.827 -1.480 1.00 0.00 C ATOM 210 CD1 ILE A 15 -12.187 -6.279 -1.397 1.00 0.00 C ATOM 0 H ILE A 15 -11.104 -7.280 2.078 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.741 -9.697 0.823 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.106 -7.301 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.855 -8.267 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.667 -7.222 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.292 -8.128 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.329 -9.229 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.009 -9.643 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.201 -5.906 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.573 -5.499 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.765 -6.560 -2.362 1.00 0.00 H new ATOM 222 N PHE A 16 -8.544 -9.438 1.663 1.00 0.00 N ATOM 223 CA PHE A 16 -7.354 -10.248 1.880 1.00 0.00 C ATOM 224 C PHE A 16 -7.675 -11.446 2.773 1.00 0.00 C ATOM 225 O PHE A 16 -7.384 -12.585 2.417 1.00 0.00 O ATOM 226 CB PHE A 16 -6.202 -9.403 2.447 1.00 0.00 C ATOM 227 CG PHE A 16 -4.866 -10.127 2.454 1.00 0.00 C ATOM 228 CD1 PHE A 16 -4.536 -10.995 3.512 1.00 0.00 C ATOM 229 CD2 PHE A 16 -4.009 -10.027 1.342 1.00 0.00 C ATOM 230 CE1 PHE A 16 -3.376 -11.789 3.437 1.00 0.00 C ATOM 231 CE2 PHE A 16 -2.830 -10.790 1.287 1.00 0.00 C ATOM 232 CZ PHE A 16 -2.505 -11.660 2.342 1.00 0.00 C ATOM 0 H PHE A 16 -8.450 -8.465 1.955 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.021 -10.634 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.108 -8.490 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.449 -9.103 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.173 -11.052 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.258 -9.362 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.155 -12.498 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.173 -10.708 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.587 -12.228 2.311 1.00 0.00 H new ATOM 242 N HIS A 17 -8.289 -11.206 3.931 1.00 0.00 N ATOM 243 CA HIS A 17 -8.649 -12.274 4.851 1.00 0.00 C ATOM 244 C HIS A 17 -9.629 -13.255 4.200 1.00 0.00 C ATOM 245 O HIS A 17 -9.586 -14.454 4.480 1.00 0.00 O ATOM 246 CB HIS A 17 -9.210 -11.682 6.150 1.00 0.00 C ATOM 247 CG HIS A 17 -9.248 -12.664 7.297 1.00 0.00 C ATOM 248 ND1 HIS A 17 -9.382 -14.034 7.202 1.00 0.00 N ATOM 249 CD2 HIS A 17 -9.052 -12.362 8.618 1.00 0.00 C ATOM 250 CE1 HIS A 17 -9.267 -14.539 8.441 1.00 0.00 C ATOM 251 NE2 HIS A 17 -9.065 -13.560 9.338 1.00 0.00 N ATOM 0 H HIS A 17 -8.547 -10.273 4.252 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.752 -12.841 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.605 -10.823 6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -10.219 -11.313 5.965 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -9.540 -14.566 6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.912 -11.374 9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -9.329 -15.590 8.683 1.00 0.00 H new ATOM 259 N LYS A 18 -10.524 -12.755 3.346 1.00 0.00 N ATOM 260 CA LYS A 18 -11.502 -13.583 2.664 1.00 0.00 C ATOM 261 C LYS A 18 -10.775 -14.505 1.685 1.00 0.00 C ATOM 262 O LYS A 18 -10.871 -15.726 1.785 1.00 0.00 O ATOM 263 CB LYS A 18 -12.537 -12.682 1.968 1.00 0.00 C ATOM 264 CG LYS A 18 -13.697 -13.474 1.348 1.00 0.00 C ATOM 265 CD LYS A 18 -14.625 -12.518 0.588 1.00 0.00 C ATOM 266 CE LYS A 18 -15.746 -13.266 -0.146 1.00 0.00 C ATOM 267 NZ LYS A 18 -16.638 -13.982 0.781 1.00 0.00 N ATOM 0 H LYS A 18 -10.586 -11.764 3.112 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.043 -14.211 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.935 -11.969 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.042 -12.103 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.310 -14.236 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.254 -13.994 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.062 -11.805 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.042 -11.942 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.329 -12.557 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.308 -13.976 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.523 -14.226 0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.172 -14.852 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.850 -13.374 1.598 1.00 0.00 H new ATOM 281 N TYR A 19 -10.058 -13.903 0.736 1.00 0.00 N ATOM 282 CA TYR A 19 -9.398 -14.583 -0.363 1.00 0.00 C ATOM 283 C TYR A 19 -8.093 -15.219 0.114 1.00 0.00 C ATOM 284 O TYR A 19 -8.042 -16.429 0.325 1.00 0.00 O ATOM 285 CB TYR A 19 -9.191 -13.577 -1.505 1.00 0.00 C ATOM 286 CG TYR A 19 -8.282 -14.032 -2.631 1.00 0.00 C ATOM 287 CD1 TYR A 19 -8.406 -15.322 -3.180 1.00 0.00 C ATOM 288 CD2 TYR A 19 -7.297 -13.155 -3.121 1.00 0.00 C ATOM 289 CE1 TYR A 19 -7.526 -15.743 -4.190 1.00 0.00 C ATOM 290 CE2 TYR A 19 -6.440 -13.568 -4.152 1.00 0.00 C ATOM 291 CZ TYR A 19 -6.535 -14.868 -4.667 1.00 0.00 C ATOM 292 OH TYR A 19 -5.666 -15.263 -5.638 1.00 0.00 O ATOM 0 H TYR A 19 -9.920 -12.893 0.717 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.014 -15.399 -0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.165 -13.330 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.784 -12.658 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.178 -15.988 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.201 -12.164 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.611 -16.739 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.706 -12.883 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.913 -16.157 -5.954 1.00 0.00 H new ATOM 302 N SER A 20 -7.033 -14.423 0.285 1.00 0.00 N ATOM 303 CA SER A 20 -5.727 -14.911 0.683 1.00 0.00 C ATOM 304 C SER A 20 -5.834 -15.742 1.959 1.00 0.00 C ATOM 305 O SER A 20 -5.288 -16.838 2.045 1.00 0.00 O ATOM 306 CB SER A 20 -4.793 -13.717 0.870 1.00 0.00 C ATOM 307 OG SER A 20 -4.986 -12.800 -0.193 1.00 0.00 O ATOM 0 H SER A 20 -7.067 -13.413 0.147 1.00 0.00 H new ATOM 0 HA SER A 20 -5.320 -15.561 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.992 -13.231 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.756 -14.052 0.893 1.00 0.00 H new ATOM 0 HG SER A 20 -4.591 -11.935 0.045 1.00 0.00 H new ATOM 313 N GLY A 21 -6.591 -15.232 2.932 1.00 0.00 N ATOM 314 CA GLY A 21 -6.800 -15.881 4.210 1.00 0.00 C ATOM 315 C GLY A 21 -7.849 -16.993 4.185 1.00 0.00 C ATOM 316 O GLY A 21 -8.226 -17.467 5.259 1.00 0.00 O ATOM 0 H GLY A 21 -7.080 -14.341 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.853 -16.298 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.100 -15.130 4.941 1.00 0.00 H new ATOM 320 N LYS A 22 -8.324 -17.396 2.997 1.00 0.00 N ATOM 321 CA LYS A 22 -9.286 -18.470 2.785 1.00 0.00 C ATOM 322 C LYS A 22 -10.360 -18.506 3.875 1.00 0.00 C ATOM 323 O LYS A 22 -10.564 -19.525 4.540 1.00 0.00 O ATOM 324 CB LYS A 22 -8.539 -19.797 2.647 1.00 0.00 C ATOM 325 CG LYS A 22 -7.334 -19.688 1.702 1.00 0.00 C ATOM 326 CD LYS A 22 -7.129 -20.962 0.875 1.00 0.00 C ATOM 327 CE LYS A 22 -7.881 -20.862 -0.458 1.00 0.00 C ATOM 328 NZ LYS A 22 -9.344 -20.888 -0.284 1.00 0.00 N ATOM 0 H LYS A 22 -8.030 -16.958 2.124 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.827 -18.283 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.200 -20.125 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.223 -20.560 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.476 -18.841 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.435 -19.486 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.066 -21.115 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.483 -21.828 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.595 -19.940 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.580 -21.687 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.803 -20.972 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.609 -21.702 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.654 -20.009 0.177 1.00 0.00 H new ATOM 342 N GLU A 23 -11.008 -17.355 4.070 1.00 0.00 N ATOM 343 CA GLU A 23 -12.090 -17.112 5.015 1.00 0.00 C ATOM 344 C GLU A 23 -11.848 -17.695 6.416 1.00 0.00 C ATOM 345 O GLU A 23 -12.812 -18.001 7.114 1.00 0.00 O ATOM 346 CB GLU A 23 -13.414 -17.619 4.420 1.00 0.00 C ATOM 347 CG GLU A 23 -13.634 -17.100 2.993 1.00 0.00 C ATOM 348 CD GLU A 23 -15.050 -17.364 2.494 1.00 0.00 C ATOM 349 OE1 GLU A 23 -15.539 -18.491 2.726 1.00 0.00 O ATOM 350 OE2 GLU A 23 -15.619 -16.430 1.889 1.00 0.00 O ATOM 0 H GLU A 23 -10.773 -16.518 3.536 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.138 -16.034 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.416 -18.709 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.242 -17.302 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.434 -16.029 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.920 -17.576 2.321 1.00 0.00 H new ATOM 357 N GLY A 24 -10.590 -17.841 6.844 1.00 0.00 N ATOM 358 CA GLY A 24 -10.272 -18.516 8.096 1.00 0.00 C ATOM 359 C GLY A 24 -9.011 -19.359 7.962 1.00 0.00 C ATOM 360 O GLY A 24 -8.150 -19.317 8.841 1.00 0.00 O ATOM 0 H GLY A 24 -9.775 -17.497 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.137 -17.778 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.107 -19.151 8.392 1.00 0.00 H new ATOM 364 N ASP A 25 -8.889 -20.131 6.875 1.00 0.00 N ATOM 365 CA ASP A 25 -7.728 -20.987 6.652 1.00 0.00 C ATOM 366 C ASP A 25 -6.540 -20.131 6.191 1.00 0.00 C ATOM 367 O ASP A 25 -6.132 -20.164 5.030 1.00 0.00 O ATOM 368 CB ASP A 25 -8.091 -22.142 5.706 1.00 0.00 C ATOM 369 CG ASP A 25 -6.863 -22.940 5.283 1.00 0.00 C ATOM 370 OD1 ASP A 25 -6.153 -23.415 6.197 1.00 0.00 O ATOM 371 OD2 ASP A 25 -6.646 -23.053 4.056 1.00 0.00 O ATOM 0 H ASP A 25 -9.588 -20.177 6.134 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.414 -21.464 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.802 -22.805 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.587 -21.744 4.821 1.00 0.00 H new ATOM 376 N LYS A 26 -6.011 -19.344 7.131 1.00 0.00 N ATOM 377 CA LYS A 26 -5.023 -18.301 6.911 1.00 0.00 C ATOM 378 C LYS A 26 -3.850 -18.749 6.032 1.00 0.00 C ATOM 379 O LYS A 26 -3.197 -19.752 6.310 1.00 0.00 O ATOM 380 CB LYS A 26 -4.560 -17.722 8.254 1.00 0.00 C ATOM 381 CG LYS A 26 -4.125 -18.786 9.274 1.00 0.00 C ATOM 382 CD LYS A 26 -3.362 -18.162 10.449 1.00 0.00 C ATOM 383 CE LYS A 26 -4.240 -17.219 11.281 1.00 0.00 C ATOM 384 NZ LYS A 26 -3.484 -16.661 12.415 1.00 0.00 N ATOM 0 H LYS A 26 -6.277 -19.426 8.112 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.509 -17.508 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.728 -17.041 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.370 -17.132 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.003 -19.313 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.494 -19.526 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.976 -18.955 11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.501 -17.612 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.609 -16.409 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.112 -17.759 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.133 -16.150 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.025 -17.433 12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.759 -16.005 12.060 1.00 0.00 H new ATOM 398 N HIS A 27 -3.579 -17.975 4.980 1.00 0.00 N ATOM 399 CA HIS A 27 -2.554 -18.174 3.989 1.00 0.00 C ATOM 400 C HIS A 27 -2.235 -16.807 3.390 1.00 0.00 C ATOM 401 O HIS A 27 -2.957 -15.830 3.605 1.00 0.00 O ATOM 402 CB HIS A 27 -3.064 -19.147 2.917 1.00 0.00 C ATOM 403 CG HIS A 27 -2.961 -20.578 3.353 1.00 0.00 C ATOM 404 ND1 HIS A 27 -3.980 -21.395 3.787 1.00 0.00 N ATOM 405 CD2 HIS A 27 -1.784 -21.232 3.562 1.00 0.00 C ATOM 406 CE1 HIS A 27 -3.416 -22.544 4.201 1.00 0.00 C ATOM 407 NE2 HIS A 27 -2.077 -22.499 4.073 1.00 0.00 N ATOM 0 H HIS A 27 -4.121 -17.130 4.797 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.652 -18.606 4.423 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.103 -18.915 2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.492 -19.007 2.000 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.975 -21.171 3.794 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.797 -20.840 3.367 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.965 -23.391 4.585 1.00 0.00 H new ATOM 415 N THR A 28 -1.129 -16.758 2.658 1.00 0.00 N ATOM 416 CA THR A 28 -0.681 -15.674 1.825 1.00 0.00 C ATOM 417 C THR A 28 -1.153 -16.014 0.408 1.00 0.00 C ATOM 418 O THR A 28 -1.741 -17.070 0.166 1.00 0.00 O ATOM 419 CB THR A 28 0.844 -15.579 1.957 1.00 0.00 C ATOM 420 OG1 THR A 28 1.407 -16.825 1.596 1.00 0.00 O ATOM 421 CG2 THR A 28 1.245 -15.263 3.403 1.00 0.00 C ATOM 0 H THR A 28 -0.478 -17.543 2.637 1.00 0.00 H new ATOM 0 HA THR A 28 -1.081 -14.699 2.103 1.00 0.00 H new ATOM 0 HB THR A 28 1.206 -14.782 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.383 -16.778 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.331 -15.200 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.806 -14.311 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.883 -16.053 4.062 1.00 0.00 H new ATOM 429 N LEU A 29 -0.935 -15.115 -0.542 1.00 0.00 N ATOM 430 CA LEU A 29 -1.502 -15.236 -1.874 1.00 0.00 C ATOM 431 C LEU A 29 -0.492 -16.050 -2.689 1.00 0.00 C ATOM 432 O LEU A 29 0.299 -15.530 -3.480 1.00 0.00 O ATOM 433 CB LEU A 29 -1.772 -13.827 -2.424 1.00 0.00 C ATOM 434 CG LEU A 29 -2.759 -13.754 -3.601 1.00 0.00 C ATOM 435 CD1 LEU A 29 -2.923 -12.279 -3.990 1.00 0.00 C ATOM 436 CD2 LEU A 29 -2.315 -14.540 -4.841 1.00 0.00 C ATOM 0 H LEU A 29 -0.360 -14.283 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.462 -15.751 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.154 -13.206 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.824 -13.391 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.691 -14.208 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.620 -12.198 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.310 -11.719 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.956 -11.870 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.065 -14.437 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.362 -14.149 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.202 -15.593 -4.583 1.00 0.00 H new ATOM 448 N SER A 30 -0.506 -17.363 -2.452 1.00 0.00 N ATOM 449 CA SER A 30 0.405 -18.298 -3.086 1.00 0.00 C ATOM 450 C SER A 30 -0.225 -18.881 -4.345 1.00 0.00 C ATOM 451 O SER A 30 -1.401 -18.652 -4.626 1.00 0.00 O ATOM 452 CB SER A 30 0.816 -19.418 -2.117 1.00 0.00 C ATOM 453 OG SER A 30 -0.182 -20.418 -2.009 1.00 0.00 O ATOM 0 H SER A 30 -1.160 -17.805 -1.806 1.00 0.00 H new ATOM 0 HA SER A 30 1.307 -17.754 -3.367 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.747 -19.870 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.011 -18.993 -1.133 1.00 0.00 H new ATOM 0 HG SER A 30 -1.042 -20.000 -1.793 1.00 0.00 H new ATOM 459 N LYS A 31 0.578 -19.635 -5.097 1.00 0.00 N ATOM 460 CA LYS A 31 0.161 -20.480 -6.208 1.00 0.00 C ATOM 461 C LYS A 31 -1.247 -21.069 -6.010 1.00 0.00 C ATOM 462 O LYS A 31 -2.048 -21.048 -6.941 1.00 0.00 O ATOM 463 CB LYS A 31 1.214 -21.576 -6.461 1.00 0.00 C ATOM 464 CG LYS A 31 1.930 -22.077 -5.194 1.00 0.00 C ATOM 465 CD LYS A 31 2.836 -23.271 -5.524 1.00 0.00 C ATOM 466 CE LYS A 31 3.817 -23.556 -4.378 1.00 0.00 C ATOM 467 NZ LYS A 31 3.127 -23.789 -3.098 1.00 0.00 N ATOM 0 H LYS A 31 1.585 -19.672 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 31 0.094 -19.852 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.730 -22.422 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.960 -21.192 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.524 -21.271 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.194 -22.368 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.225 -24.154 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.391 -23.068 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.420 -24.429 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.502 -22.715 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.532 -24.626 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.247 -22.959 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.114 -23.947 -3.273 1.00 0.00 H new ATOM 481 N LYS A 32 -1.561 -21.565 -4.805 1.00 0.00 N ATOM 482 CA LYS A 32 -2.878 -22.108 -4.487 1.00 0.00 C ATOM 483 C LYS A 32 -3.975 -21.064 -4.739 1.00 0.00 C ATOM 484 O LYS A 32 -4.898 -21.274 -5.529 1.00 0.00 O ATOM 485 CB LYS A 32 -2.916 -22.575 -3.023 1.00 0.00 C ATOM 486 CG LYS A 32 -1.830 -23.606 -2.687 1.00 0.00 C ATOM 487 CD LYS A 32 -2.037 -24.216 -1.293 1.00 0.00 C ATOM 488 CE LYS A 32 -1.949 -23.176 -0.165 1.00 0.00 C ATOM 489 NZ LYS A 32 -2.011 -23.817 1.161 1.00 0.00 N ATOM 0 H LYS A 32 -0.904 -21.598 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.064 -22.962 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.801 -21.710 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.895 -23.006 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.837 -24.398 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.850 -23.131 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.012 -24.703 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.288 -24.990 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.019 -22.615 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.765 -22.460 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.369 -23.135 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.648 -24.638 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.059 -24.131 1.440 1.00 0.00 H new ATOM 503 N GLU A 33 -3.863 -19.926 -4.053 1.00 0.00 N ATOM 504 CA GLU A 33 -4.814 -18.833 -4.138 1.00 0.00 C ATOM 505 C GLU A 33 -4.846 -18.299 -5.570 1.00 0.00 C ATOM 506 O GLU A 33 -5.911 -17.953 -6.084 1.00 0.00 O ATOM 507 CB GLU A 33 -4.436 -17.726 -3.143 1.00 0.00 C ATOM 508 CG GLU A 33 -4.617 -18.126 -1.668 1.00 0.00 C ATOM 509 CD GLU A 33 -3.639 -19.184 -1.179 1.00 0.00 C ATOM 510 OE1 GLU A 33 -2.498 -19.174 -1.690 1.00 0.00 O ATOM 511 OE2 GLU A 33 -4.041 -20.000 -0.323 1.00 0.00 O ATOM 0 H GLU A 33 -3.091 -19.741 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.810 -19.192 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.396 -17.442 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.043 -16.844 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.511 -17.236 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.633 -18.495 -1.526 1.00 0.00 H new ATOM 518 N LEU A 34 -3.686 -18.204 -6.222 1.00 0.00 N ATOM 519 CA LEU A 34 -3.624 -17.739 -7.597 1.00 0.00 C ATOM 520 C LEU A 34 -4.452 -18.657 -8.495 1.00 0.00 C ATOM 521 O LEU A 34 -5.380 -18.186 -9.147 1.00 0.00 O ATOM 522 CB LEU A 34 -2.173 -17.607 -8.073 1.00 0.00 C ATOM 523 CG LEU A 34 -2.067 -17.146 -9.540 1.00 0.00 C ATOM 524 CD1 LEU A 34 -2.770 -15.804 -9.770 1.00 0.00 C ATOM 525 CD2 LEU A 34 -0.594 -17.008 -9.940 1.00 0.00 C ATOM 0 H LEU A 34 -2.782 -18.444 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.057 -16.740 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.649 -16.896 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.670 -18.567 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.558 -17.902 -10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.671 -15.516 -10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.826 -15.899 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.313 -15.041 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.528 -16.682 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.110 -16.273 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.095 -17.971 -9.830 1.00 0.00 H new ATOM 537 N LYS A 35 -4.150 -19.961 -8.536 1.00 0.00 N ATOM 538 CA LYS A 35 -4.884 -20.856 -9.423 1.00 0.00 C ATOM 539 C LYS A 35 -6.374 -20.868 -9.078 1.00 0.00 C ATOM 540 O LYS A 35 -7.213 -20.933 -9.977 1.00 0.00 O ATOM 541 CB LYS A 35 -4.263 -22.261 -9.490 1.00 0.00 C ATOM 542 CG LYS A 35 -4.433 -23.115 -8.228 1.00 0.00 C ATOM 543 CD LYS A 35 -3.849 -24.512 -8.470 1.00 0.00 C ATOM 544 CE LYS A 35 -4.050 -25.404 -7.240 1.00 0.00 C ATOM 545 NZ LYS A 35 -3.528 -26.762 -7.472 1.00 0.00 N ATOM 0 H LYS A 35 -3.421 -20.406 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.798 -20.462 -10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.704 -22.795 -10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.198 -22.160 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.930 -22.641 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.489 -23.191 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.328 -24.967 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.786 -24.433 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.547 -24.961 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.111 -25.457 -6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.679 -27.342 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.026 -27.192 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.510 -26.712 -7.681 1.00 0.00 H new ATOM 559 N GLU A 36 -6.719 -20.801 -7.787 1.00 0.00 N ATOM 560 CA GLU A 36 -8.102 -20.642 -7.357 1.00 0.00 C ATOM 561 C GLU A 36 -8.730 -19.429 -8.055 1.00 0.00 C ATOM 562 O GLU A 36 -9.753 -19.558 -8.730 1.00 0.00 O ATOM 563 CB GLU A 36 -8.148 -20.524 -5.826 1.00 0.00 C ATOM 564 CG GLU A 36 -9.575 -20.396 -5.276 1.00 0.00 C ATOM 565 CD GLU A 36 -9.561 -20.211 -3.762 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.978 -19.198 -3.318 1.00 0.00 O ATOM 567 OE2 GLU A 36 -10.125 -21.087 -3.072 1.00 0.00 O ATOM 0 H GLU A 36 -6.049 -20.856 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.689 -21.515 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.672 -21.400 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.566 -19.656 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.075 -19.549 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.149 -21.287 -5.532 1.00 0.00 H new ATOM 574 N LEU A 37 -8.112 -18.254 -7.904 1.00 0.00 N ATOM 575 CA LEU A 37 -8.605 -17.019 -8.499 1.00 0.00 C ATOM 576 C LEU A 37 -8.730 -17.155 -10.012 1.00 0.00 C ATOM 577 O LEU A 37 -9.779 -16.834 -10.563 1.00 0.00 O ATOM 578 CB LEU A 37 -7.716 -15.840 -8.082 1.00 0.00 C ATOM 579 CG LEU A 37 -8.180 -14.470 -8.614 1.00 0.00 C ATOM 580 CD1 LEU A 37 -7.763 -13.371 -7.628 1.00 0.00 C ATOM 581 CD2 LEU A 37 -7.577 -14.131 -9.986 1.00 0.00 C ATOM 0 H LEU A 37 -7.255 -18.137 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.608 -16.817 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.676 -15.798 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.700 -16.026 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.263 -14.524 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.091 -12.402 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.223 -13.559 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.678 -13.371 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.938 -13.155 -10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.490 -14.108 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.874 -14.888 -10.711 1.00 0.00 H new ATOM 593 N ILE A 38 -7.678 -17.618 -10.692 1.00 0.00 N ATOM 594 CA ILE A 38 -7.698 -17.771 -12.141 1.00 0.00 C ATOM 595 C ILE A 38 -8.881 -18.652 -12.550 1.00 0.00 C ATOM 596 O ILE A 38 -9.699 -18.239 -13.367 1.00 0.00 O ATOM 597 CB ILE A 38 -6.353 -18.315 -12.661 1.00 0.00 C ATOM 598 CG1 ILE A 38 -5.180 -17.345 -12.410 1.00 0.00 C ATOM 599 CG2 ILE A 38 -6.431 -18.666 -14.155 1.00 0.00 C ATOM 600 CD1 ILE A 38 -5.248 -16.022 -13.182 1.00 0.00 C ATOM 0 H ILE A 38 -6.799 -17.894 -10.255 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.833 -16.793 -12.604 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.156 -19.223 -12.092 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.136 -17.123 -11.344 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.250 -17.851 -12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.466 -19.047 -14.490 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.195 -19.427 -14.310 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.687 -17.773 -14.726 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.379 -15.412 -12.936 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.257 -16.226 -14.253 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.157 -15.486 -12.907 1.00 0.00 H new ATOM 612 N GLN A 39 -8.992 -19.852 -11.974 1.00 0.00 N ATOM 613 CA GLN A 39 -10.083 -20.760 -12.301 1.00 0.00 C ATOM 614 C GLN A 39 -11.441 -20.097 -12.056 1.00 0.00 C ATOM 615 O GLN A 39 -12.324 -20.168 -12.906 1.00 0.00 O ATOM 616 CB GLN A 39 -9.950 -22.053 -11.490 1.00 0.00 C ATOM 617 CG GLN A 39 -8.779 -22.905 -11.998 1.00 0.00 C ATOM 618 CD GLN A 39 -8.456 -24.029 -11.022 1.00 0.00 C ATOM 619 OE1 GLN A 39 -8.648 -25.204 -11.315 1.00 0.00 O ATOM 620 NE2 GLN A 39 -7.961 -23.666 -9.845 1.00 0.00 N ATOM 0 H GLN A 39 -8.338 -20.213 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.024 -21.006 -13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.799 -21.812 -10.438 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.876 -22.625 -11.557 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.027 -23.325 -12.973 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.900 -22.275 -12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.815 -22.678 -9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.727 -24.375 -9.150 1.00 0.00 H new ATOM 629 N LYS A 40 -11.618 -19.466 -10.893 1.00 0.00 N ATOM 630 CA LYS A 40 -12.903 -18.898 -10.513 1.00 0.00 C ATOM 631 C LYS A 40 -13.290 -17.724 -11.412 1.00 0.00 C ATOM 632 O LYS A 40 -14.390 -17.689 -11.959 1.00 0.00 O ATOM 633 CB LYS A 40 -12.861 -18.504 -9.028 1.00 0.00 C ATOM 634 CG LYS A 40 -14.183 -17.930 -8.494 1.00 0.00 C ATOM 635 CD LYS A 40 -15.399 -18.854 -8.671 1.00 0.00 C ATOM 636 CE LYS A 40 -15.208 -20.252 -8.069 1.00 0.00 C ATOM 637 NZ LYS A 40 -14.863 -20.193 -6.637 1.00 0.00 N ATOM 0 H LYS A 40 -10.881 -19.338 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.681 -19.649 -10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.593 -19.380 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.071 -17.767 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.065 -17.706 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.384 -16.985 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.269 -18.386 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.616 -18.953 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.123 -20.831 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.420 -20.776 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.809 -21.158 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.943 -19.722 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.593 -19.657 -6.126 1.00 0.00 H new ATOM 651 N GLU A 41 -12.399 -16.742 -11.531 1.00 0.00 N ATOM 652 CA GLU A 41 -12.667 -15.509 -12.251 1.00 0.00 C ATOM 653 C GLU A 41 -12.541 -15.696 -13.764 1.00 0.00 C ATOM 654 O GLU A 41 -13.026 -14.849 -14.513 1.00 0.00 O ATOM 655 CB GLU A 41 -11.707 -14.410 -11.771 1.00 0.00 C ATOM 656 CG GLU A 41 -11.796 -14.146 -10.260 1.00 0.00 C ATOM 657 CD GLU A 41 -13.192 -13.712 -9.823 1.00 0.00 C ATOM 658 OE1 GLU A 41 -13.637 -12.654 -10.319 1.00 0.00 O ATOM 659 OE2 GLU A 41 -13.785 -14.441 -9.000 1.00 0.00 O ATOM 0 H GLU A 41 -11.464 -16.785 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.695 -15.214 -12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.685 -14.693 -12.024 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.924 -13.487 -12.308 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.514 -15.050 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.077 -13.374 -9.987 1.00 0.00 H new ATOM 816 N GLU A 52 -0.243 -8.478 -18.382 1.00 0.00 N ATOM 817 CA GLU A 52 0.086 -7.465 -17.395 1.00 0.00 C ATOM 818 C GLU A 52 -0.101 -8.009 -15.974 1.00 0.00 C ATOM 819 O GLU A 52 0.774 -7.792 -15.137 1.00 0.00 O ATOM 820 CB GLU A 52 -0.723 -6.184 -17.645 1.00 0.00 C ATOM 821 CG GLU A 52 -0.129 -4.985 -16.894 1.00 0.00 C ATOM 822 CD GLU A 52 -0.996 -3.740 -17.057 1.00 0.00 C ATOM 823 OE1 GLU A 52 -1.135 -3.296 -18.217 1.00 0.00 O ATOM 824 OE2 GLU A 52 -1.507 -3.261 -16.021 1.00 0.00 O ATOM 0 HA GLU A 52 1.139 -7.202 -17.497 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.745 -5.970 -18.714 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.755 -6.337 -17.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.034 -5.228 -15.836 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.875 -4.782 -17.266 1.00 0.00 H new ATOM 831 N ILE A 53 -1.201 -8.715 -15.675 1.00 0.00 N ATOM 832 CA ILE A 53 -1.408 -9.230 -14.323 1.00 0.00 C ATOM 833 C ILE A 53 -0.267 -10.187 -13.963 1.00 0.00 C ATOM 834 O ILE A 53 0.357 -10.041 -12.913 1.00 0.00 O ATOM 835 CB ILE A 53 -2.808 -9.861 -14.174 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.877 -8.750 -14.216 1.00 0.00 C ATOM 837 CG2 ILE A 53 -2.923 -10.637 -12.852 1.00 0.00 C ATOM 838 CD1 ILE A 53 -5.303 -9.285 -14.386 1.00 0.00 C ATOM 0 H ILE A 53 -1.944 -8.937 -16.338 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.383 -8.408 -13.607 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.964 -10.559 -14.997 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.822 -8.168 -13.296 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.652 -8.070 -15.037 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.919 -11.072 -12.771 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.177 -11.432 -12.830 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.754 -9.958 -12.016 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.004 -8.451 -14.408 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.373 -9.843 -15.320 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.547 -9.943 -13.552 1.00 0.00 H new ATOM 850 N VAL A 54 0.023 -11.146 -14.845 1.00 0.00 N ATOM 851 CA VAL A 54 1.106 -12.103 -14.668 1.00 0.00 C ATOM 852 C VAL A 54 2.433 -11.363 -14.473 1.00 0.00 C ATOM 853 O VAL A 54 3.179 -11.674 -13.548 1.00 0.00 O ATOM 854 CB VAL A 54 1.145 -13.082 -15.856 1.00 0.00 C ATOM 855 CG1 VAL A 54 2.368 -14.007 -15.789 1.00 0.00 C ATOM 856 CG2 VAL A 54 -0.118 -13.956 -15.869 1.00 0.00 C ATOM 0 H VAL A 54 -0.498 -11.277 -15.712 1.00 0.00 H new ATOM 0 HA VAL A 54 0.933 -12.695 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 54 1.202 -12.480 -16.763 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.360 -14.683 -16.644 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.279 -13.408 -15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.335 -14.588 -14.867 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.076 -14.643 -16.714 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.176 -14.525 -14.941 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.999 -13.321 -15.961 1.00 0.00 H new ATOM 866 N LYS A 55 2.732 -10.381 -15.327 1.00 0.00 N ATOM 867 CA LYS A 55 3.954 -9.597 -15.219 1.00 0.00 C ATOM 868 C LYS A 55 4.043 -8.923 -13.847 1.00 0.00 C ATOM 869 O LYS A 55 5.071 -9.018 -13.182 1.00 0.00 O ATOM 870 CB LYS A 55 4.017 -8.564 -16.351 1.00 0.00 C ATOM 871 CG LYS A 55 5.364 -7.822 -16.355 1.00 0.00 C ATOM 872 CD LYS A 55 5.363 -6.641 -17.338 1.00 0.00 C ATOM 873 CE LYS A 55 4.971 -5.310 -16.677 1.00 0.00 C ATOM 874 NZ LYS A 55 3.626 -5.346 -16.076 1.00 0.00 N ATOM 0 H LYS A 55 2.133 -10.112 -16.108 1.00 0.00 H new ATOM 0 HA LYS A 55 4.811 -10.263 -15.316 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.871 -9.062 -17.309 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.204 -7.847 -16.237 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.582 -7.459 -15.351 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.161 -8.516 -16.622 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.354 -6.543 -17.780 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.670 -6.854 -18.152 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.702 -5.063 -15.907 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.010 -4.514 -17.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.373 -4.397 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.935 -5.654 -16.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.620 -6.013 -15.278 1.00 0.00 H new ATOM 888 N LEU A 56 2.987 -8.221 -13.430 1.00 0.00 N ATOM 889 CA LEU A 56 2.965 -7.544 -12.140 1.00 0.00 C ATOM 890 C LEU A 56 3.198 -8.552 -11.018 1.00 0.00 C ATOM 891 O LEU A 56 4.083 -8.353 -10.189 1.00 0.00 O ATOM 892 CB LEU A 56 1.644 -6.788 -11.942 1.00 0.00 C ATOM 893 CG LEU A 56 1.516 -5.556 -12.855 1.00 0.00 C ATOM 894 CD1 LEU A 56 0.070 -5.048 -12.816 1.00 0.00 C ATOM 895 CD2 LEU A 56 2.458 -4.424 -12.428 1.00 0.00 C ATOM 0 H LEU A 56 2.132 -8.109 -13.975 1.00 0.00 H new ATOM 0 HA LEU A 56 3.770 -6.809 -12.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.812 -7.465 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.564 -6.473 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 56 1.792 -5.859 -13.865 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.026 -4.175 -13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.601 -5.833 -13.165 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.192 -4.774 -11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.334 -3.575 -13.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.221 -4.118 -11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.490 -4.773 -12.471 1.00 0.00 H new ATOM 907 N MET A 57 2.425 -9.643 -11.002 1.00 0.00 N ATOM 908 CA MET A 57 2.592 -10.704 -10.023 1.00 0.00 C ATOM 909 C MET A 57 4.046 -11.174 -9.987 1.00 0.00 C ATOM 910 O MET A 57 4.651 -11.179 -8.922 1.00 0.00 O ATOM 911 CB MET A 57 1.630 -11.860 -10.314 1.00 0.00 C ATOM 912 CG MET A 57 0.196 -11.503 -9.906 1.00 0.00 C ATOM 913 SD MET A 57 -1.020 -12.777 -10.311 1.00 0.00 S ATOM 914 CE MET A 57 -2.482 -12.095 -9.500 1.00 0.00 C ATOM 0 H MET A 57 1.670 -9.808 -11.668 1.00 0.00 H new ATOM 0 HA MET A 57 2.347 -10.314 -9.035 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.659 -12.102 -11.376 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.953 -12.750 -9.775 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.170 -11.318 -8.832 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.090 -10.573 -10.397 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.329 -12.764 -9.654 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.291 -11.992 -8.432 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.710 -11.117 -9.924 1.00 0.00 H new ATOM 924 N ASP A 58 4.618 -11.535 -11.138 1.00 0.00 N ATOM 925 CA ASP A 58 6.008 -11.966 -11.242 1.00 0.00 C ATOM 926 C ASP A 58 6.969 -10.921 -10.666 1.00 0.00 C ATOM 927 O ASP A 58 7.851 -11.259 -9.880 1.00 0.00 O ATOM 928 CB ASP A 58 6.348 -12.275 -12.704 1.00 0.00 C ATOM 929 CG ASP A 58 7.830 -12.593 -12.869 1.00 0.00 C ATOM 930 OD1 ASP A 58 8.231 -13.696 -12.440 1.00 0.00 O ATOM 931 OD2 ASP A 58 8.545 -11.720 -13.407 1.00 0.00 O ATOM 0 H ASP A 58 4.123 -11.535 -12.030 1.00 0.00 H new ATOM 0 HA ASP A 58 6.129 -12.873 -10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.751 -13.120 -13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.084 -11.422 -13.330 1.00 0.00 H new ATOM 936 N ASP A 59 6.817 -9.658 -11.074 1.00 0.00 N ATOM 937 CA ASP A 59 7.668 -8.569 -10.611 1.00 0.00 C ATOM 938 C ASP A 59 7.617 -8.439 -9.086 1.00 0.00 C ATOM 939 O ASP A 59 8.650 -8.390 -8.424 1.00 0.00 O ATOM 940 CB ASP A 59 7.239 -7.264 -11.289 1.00 0.00 C ATOM 941 CG ASP A 59 8.033 -6.075 -10.760 1.00 0.00 C ATOM 942 OD1 ASP A 59 9.168 -5.888 -11.248 1.00 0.00 O ATOM 943 OD2 ASP A 59 7.487 -5.375 -9.880 1.00 0.00 O ATOM 0 H ASP A 59 6.098 -9.366 -11.736 1.00 0.00 H new ATOM 0 HA ASP A 59 8.701 -8.787 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.381 -7.348 -12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.175 -7.097 -11.120 1.00 0.00 H new ATOM 948 N LEU A 60 6.407 -8.355 -8.533 1.00 0.00 N ATOM 949 CA LEU A 60 6.186 -8.167 -7.106 1.00 0.00 C ATOM 950 C LEU A 60 6.675 -9.390 -6.326 1.00 0.00 C ATOM 951 O LEU A 60 7.332 -9.272 -5.289 1.00 0.00 O ATOM 952 CB LEU A 60 4.689 -7.937 -6.863 1.00 0.00 C ATOM 953 CG LEU A 60 4.179 -6.633 -7.502 1.00 0.00 C ATOM 954 CD1 LEU A 60 2.665 -6.721 -7.692 1.00 0.00 C ATOM 955 CD2 LEU A 60 4.504 -5.423 -6.620 1.00 0.00 C ATOM 0 H LEU A 60 5.544 -8.417 -9.074 1.00 0.00 H new ATOM 0 HA LEU A 60 6.748 -7.300 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.126 -8.779 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.499 -7.910 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 60 4.675 -6.505 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.301 -5.799 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.428 -7.563 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.185 -6.865 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.132 -4.516 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.028 -5.544 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.583 -5.348 -6.489 1.00 0.00 H new ATOM 967 N ASP A 61 6.328 -10.577 -6.824 1.00 0.00 N ATOM 968 CA ASP A 61 6.685 -11.854 -6.239 1.00 0.00 C ATOM 969 C ASP A 61 8.167 -12.128 -6.472 1.00 0.00 C ATOM 970 O ASP A 61 8.530 -12.967 -7.288 1.00 0.00 O ATOM 971 CB ASP A 61 5.813 -12.966 -6.838 1.00 0.00 C ATOM 972 CG ASP A 61 6.028 -14.289 -6.114 1.00 0.00 C ATOM 973 OD1 ASP A 61 5.586 -14.379 -4.950 1.00 0.00 O ATOM 974 OD2 ASP A 61 6.619 -15.200 -6.727 1.00 0.00 O ATOM 0 H ASP A 61 5.772 -10.671 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 61 6.506 -11.828 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.763 -12.681 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.048 -13.085 -7.896 1.00 0.00 H new ATOM 979 N ARG A 62 9.023 -11.461 -5.699 1.00 0.00 N ATOM 980 CA ARG A 62 10.461 -11.690 -5.655 1.00 0.00 C ATOM 981 C ARG A 62 10.836 -13.181 -5.612 1.00 0.00 C ATOM 982 O ARG A 62 11.868 -13.575 -6.148 1.00 0.00 O ATOM 983 CB ARG A 62 11.084 -10.901 -4.489 1.00 0.00 C ATOM 984 CG ARG A 62 10.692 -11.343 -3.065 1.00 0.00 C ATOM 985 CD ARG A 62 9.226 -11.097 -2.672 1.00 0.00 C ATOM 986 NE ARG A 62 8.823 -9.699 -2.897 1.00 0.00 N ATOM 987 CZ ARG A 62 8.935 -8.696 -2.011 1.00 0.00 C ATOM 988 NH1 ARG A 62 9.482 -8.893 -0.808 1.00 0.00 N ATOM 989 NH2 ARG A 62 8.471 -7.487 -2.336 1.00 0.00 N ATOM 0 H ARG A 62 8.721 -10.721 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 62 10.880 -11.319 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.169 -10.963 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.814 -9.851 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.903 -12.408 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.332 -10.822 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.580 -11.758 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.085 -11.351 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 62 8.423 -9.472 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.824 -9.818 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.558 -8.118 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.038 -7.335 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.549 -6.716 -1.673 1.00 0.00 H new ATOM 1003 N ASN A 63 10.001 -14.011 -4.980 1.00 0.00 N ATOM 1004 CA ASN A 63 10.215 -15.450 -4.862 1.00 0.00 C ATOM 1005 C ASN A 63 10.100 -16.192 -6.202 1.00 0.00 C ATOM 1006 O ASN A 63 10.569 -17.323 -6.314 1.00 0.00 O ATOM 1007 CB ASN A 63 9.220 -16.020 -3.843 1.00 0.00 C ATOM 1008 CG ASN A 63 9.594 -17.436 -3.412 1.00 0.00 C ATOM 1009 OD1 ASN A 63 10.673 -17.656 -2.871 1.00 0.00 O ATOM 1010 ND2 ASN A 63 8.707 -18.404 -3.609 1.00 0.00 N ATOM 0 H ASN A 63 9.143 -13.693 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 63 11.239 -15.604 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.185 -15.371 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.220 -16.025 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.916 -19.356 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.817 -18.196 -4.061 1.00 0.00 H new ATOM 1017 N LYS A 64 9.443 -15.590 -7.201 1.00 0.00 N ATOM 1018 CA LYS A 64 9.120 -16.120 -8.528 1.00 0.00 C ATOM 1019 C LYS A 64 8.074 -17.234 -8.467 1.00 0.00 C ATOM 1020 O LYS A 64 7.040 -17.169 -9.129 1.00 0.00 O ATOM 1021 CB LYS A 64 10.371 -16.460 -9.360 1.00 0.00 C ATOM 1022 CG LYS A 64 10.840 -15.257 -10.195 1.00 0.00 C ATOM 1023 CD LYS A 64 11.280 -14.061 -9.336 1.00 0.00 C ATOM 1024 CE LYS A 64 11.623 -12.834 -10.186 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.426 -12.266 -10.836 1.00 0.00 N ATOM 0 H LYS A 64 9.095 -14.638 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 64 8.642 -15.314 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.175 -16.778 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.152 -17.299 -10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.670 -15.565 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.032 -14.944 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.484 -13.806 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.149 -14.343 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.090 -12.076 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.353 -13.111 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.677 -11.372 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.063 -12.937 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.693 -12.088 -10.120 1.00 0.00 H new ATOM 1039 N ASP A 65 8.334 -18.254 -7.660 1.00 0.00 N ATOM 1040 CA ASP A 65 7.329 -19.231 -7.291 1.00 0.00 C ATOM 1041 C ASP A 65 6.284 -18.471 -6.474 1.00 0.00 C ATOM 1042 O ASP A 65 6.568 -18.079 -5.346 1.00 0.00 O ATOM 1043 CB ASP A 65 7.960 -20.369 -6.481 1.00 0.00 C ATOM 1044 CG ASP A 65 6.898 -21.199 -5.766 1.00 0.00 C ATOM 1045 OD1 ASP A 65 5.957 -21.641 -6.462 1.00 0.00 O ATOM 1046 OD2 ASP A 65 7.038 -21.370 -4.535 1.00 0.00 O ATOM 0 H ASP A 65 9.250 -18.424 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 65 6.873 -19.695 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.540 -21.011 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.654 -19.955 -5.749 1.00 0.00 H new ATOM 1051 N GLN A 66 5.115 -18.231 -7.070 1.00 0.00 N ATOM 1052 CA GLN A 66 4.005 -17.462 -6.520 1.00 0.00 C ATOM 1053 C GLN A 66 3.809 -17.701 -5.016 1.00 0.00 C ATOM 1054 O GLN A 66 3.187 -18.687 -4.613 1.00 0.00 O ATOM 1055 CB GLN A 66 2.736 -17.787 -7.320 1.00 0.00 C ATOM 1056 CG GLN A 66 1.503 -17.008 -6.841 1.00 0.00 C ATOM 1057 CD GLN A 66 1.617 -15.502 -7.038 1.00 0.00 C ATOM 1058 OE1 GLN A 66 2.151 -15.030 -8.035 1.00 0.00 O ATOM 1059 NE2 GLN A 66 1.118 -14.730 -6.081 1.00 0.00 N ATOM 0 H GLN A 66 4.909 -18.590 -8.002 1.00 0.00 H new ATOM 0 HA GLN A 66 4.234 -16.401 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.911 -17.565 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.533 -18.856 -7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.625 -17.370 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.341 -17.216 -5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.679 -15.152 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.173 -13.715 -6.164 1.00 0.00 H new ATOM 1068 N GLU A 67 4.303 -16.761 -4.207 1.00 0.00 N ATOM 1069 CA GLU A 67 4.162 -16.686 -2.763 1.00 0.00 C ATOM 1070 C GLU A 67 4.061 -15.201 -2.400 1.00 0.00 C ATOM 1071 O GLU A 67 5.012 -14.630 -1.870 1.00 0.00 O ATOM 1072 CB GLU A 67 5.380 -17.340 -2.081 1.00 0.00 C ATOM 1073 CG GLU A 67 5.492 -18.863 -2.274 1.00 0.00 C ATOM 1074 CD GLU A 67 4.334 -19.652 -1.668 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.708 -19.125 -0.721 1.00 0.00 O ATOM 1076 OE2 GLU A 67 4.094 -20.776 -2.160 1.00 0.00 O ATOM 0 H GLU A 67 4.848 -15.982 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 67 3.274 -17.219 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.287 -16.872 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.338 -17.126 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.548 -19.081 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.425 -19.208 -1.829 1.00 0.00 H new ATOM 1083 N VAL A 68 2.914 -14.567 -2.665 1.00 0.00 N ATOM 1084 CA VAL A 68 2.772 -13.127 -2.477 1.00 0.00 C ATOM 1085 C VAL A 68 2.276 -12.908 -1.049 1.00 0.00 C ATOM 1086 O VAL A 68 1.167 -13.300 -0.682 1.00 0.00 O ATOM 1087 CB VAL A 68 1.850 -12.534 -3.569 1.00 0.00 C ATOM 1088 CG1 VAL A 68 1.099 -11.243 -3.207 1.00 0.00 C ATOM 1089 CG2 VAL A 68 2.681 -12.275 -4.832 1.00 0.00 C ATOM 0 H VAL A 68 2.074 -15.031 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 68 3.718 -12.598 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 68 1.072 -13.284 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.488 -10.928 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.459 -11.424 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.817 -10.459 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.041 -11.857 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.481 -11.571 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.112 -13.213 -5.183 1.00 0.00 H new ATOM 1099 N ASN A 69 3.127 -12.279 -0.240 1.00 0.00 N ATOM 1100 CA ASN A 69 2.883 -12.006 1.167 1.00 0.00 C ATOM 1101 C ASN A 69 2.202 -10.645 1.265 1.00 0.00 C ATOM 1102 O ASN A 69 2.192 -9.890 0.294 1.00 0.00 O ATOM 1103 CB ASN A 69 4.236 -11.971 1.895 1.00 0.00 C ATOM 1104 CG ASN A 69 4.049 -11.874 3.402 1.00 0.00 C ATOM 1105 OD1 ASN A 69 3.989 -10.776 3.953 1.00 0.00 O ATOM 1106 ND2 ASN A 69 3.913 -13.027 4.047 1.00 0.00 N ATOM 0 H ASN A 69 4.033 -11.936 -0.560 1.00 0.00 H new ATOM 0 HA ASN A 69 2.251 -12.770 1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.805 -12.869 1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.819 -11.120 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.749 -13.032 5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.972 -13.908 3.536 1.00 0.00 H new ATOM 1113 N PHE A 70 1.628 -10.309 2.421 1.00 0.00 N ATOM 1114 CA PHE A 70 0.982 -9.013 2.589 1.00 0.00 C ATOM 1115 C PHE A 70 1.898 -7.845 2.196 1.00 0.00 C ATOM 1116 O PHE A 70 1.438 -6.877 1.597 1.00 0.00 O ATOM 1117 CB PHE A 70 0.447 -8.851 4.007 1.00 0.00 C ATOM 1118 CG PHE A 70 -0.467 -7.659 4.181 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -1.768 -7.700 3.647 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -0.050 -6.542 4.928 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -2.672 -6.660 3.916 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -0.940 -5.481 5.158 1.00 0.00 C ATOM 1123 CZ PHE A 70 -2.250 -5.536 4.647 1.00 0.00 C ATOM 0 H PHE A 70 1.598 -10.910 3.244 1.00 0.00 H new ATOM 0 HA PHE A 70 0.136 -8.986 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.093 -9.755 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.288 -8.756 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.072 -8.532 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.954 -6.501 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.690 -6.724 3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.619 -4.622 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.931 -4.715 4.816 1.00 0.00 H new ATOM 1133 N GLN A 71 3.206 -7.939 2.472 1.00 0.00 N ATOM 1134 CA GLN A 71 4.156 -6.949 1.966 1.00 0.00 C ATOM 1135 C GLN A 71 4.005 -6.783 0.445 1.00 0.00 C ATOM 1136 O GLN A 71 3.874 -5.667 -0.059 1.00 0.00 O ATOM 1137 CB GLN A 71 5.589 -7.345 2.353 1.00 0.00 C ATOM 1138 CG GLN A 71 6.626 -6.345 1.812 1.00 0.00 C ATOM 1139 CD GLN A 71 8.054 -6.789 2.108 1.00 0.00 C ATOM 1140 OE1 GLN A 71 8.817 -7.112 1.202 1.00 0.00 O ATOM 1141 NE2 GLN A 71 8.435 -6.798 3.382 1.00 0.00 N ATOM 0 H GLN A 71 3.622 -8.681 3.035 1.00 0.00 H new ATOM 0 HA GLN A 71 3.940 -5.983 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.670 -7.400 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.808 -8.340 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.496 -6.235 0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.451 -5.365 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.778 -6.524 4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.384 -7.079 3.628 1.00 0.00 H new ATOM 1150 N GLU A 72 4.010 -7.903 -0.284 1.00 0.00 N ATOM 1151 CA GLU A 72 3.864 -7.881 -1.729 1.00 0.00 C ATOM 1152 C GLU A 72 2.493 -7.315 -2.098 1.00 0.00 C ATOM 1153 O GLU A 72 2.411 -6.488 -3.003 1.00 0.00 O ATOM 1154 CB GLU A 72 4.093 -9.263 -2.355 1.00 0.00 C ATOM 1155 CG GLU A 72 5.562 -9.695 -2.354 1.00 0.00 C ATOM 1156 CD GLU A 72 5.986 -10.288 -1.018 1.00 0.00 C ATOM 1157 OE1 GLU A 72 5.754 -11.505 -0.853 1.00 0.00 O ATOM 1158 OE2 GLU A 72 6.492 -9.523 -0.171 1.00 0.00 O ATOM 0 H GLU A 72 4.115 -8.837 0.112 1.00 0.00 H new ATOM 0 HA GLU A 72 4.636 -7.231 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.504 -10.002 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.725 -9.254 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.723 -10.429 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.192 -8.836 -2.584 1.00 0.00 H new ATOM 1165 N TYR A 73 1.430 -7.735 -1.401 1.00 0.00 N ATOM 1166 CA TYR A 73 0.085 -7.200 -1.599 1.00 0.00 C ATOM 1167 C TYR A 73 0.089 -5.673 -1.505 1.00 0.00 C ATOM 1168 O TYR A 73 -0.488 -5.005 -2.358 1.00 0.00 O ATOM 1169 CB TYR A 73 -0.895 -7.811 -0.590 1.00 0.00 C ATOM 1170 CG TYR A 73 -2.312 -7.274 -0.657 1.00 0.00 C ATOM 1171 CD1 TYR A 73 -3.233 -7.821 -1.568 1.00 0.00 C ATOM 1172 CD2 TYR A 73 -2.731 -6.274 0.244 1.00 0.00 C ATOM 1173 CE1 TYR A 73 -4.579 -7.415 -1.540 1.00 0.00 C ATOM 1174 CE2 TYR A 73 -4.075 -5.867 0.268 1.00 0.00 C ATOM 1175 CZ TYR A 73 -5.002 -6.447 -0.613 1.00 0.00 C ATOM 1176 OH TYR A 73 -6.314 -6.090 -0.537 1.00 0.00 O ATOM 0 H TYR A 73 1.483 -8.457 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.248 -7.473 -2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.925 -8.890 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.508 -7.644 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.906 -8.554 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.018 -5.820 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.288 -7.847 -2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.396 -5.107 0.965 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.687 -6.394 0.317 1.00 0.00 H new ATOM 1186 N ILE A 74 0.746 -5.103 -0.494 1.00 0.00 N ATOM 1187 CA ILE A 74 0.833 -3.656 -0.359 1.00 0.00 C ATOM 1188 C ILE A 74 1.507 -3.035 -1.590 1.00 0.00 C ATOM 1189 O ILE A 74 0.963 -2.107 -2.188 1.00 0.00 O ATOM 1190 CB ILE A 74 1.512 -3.279 0.969 1.00 0.00 C ATOM 1191 CG1 ILE A 74 0.631 -3.643 2.182 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.874 -1.791 0.984 1.00 0.00 C ATOM 1193 CD1 ILE A 74 -0.627 -2.781 2.350 1.00 0.00 C ATOM 0 H ILE A 74 1.224 -5.624 0.241 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.172 -3.235 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 74 2.431 -3.860 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.329 -4.687 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.233 -3.561 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.353 -1.543 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.558 -1.575 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.969 -1.195 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.181 -3.113 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.339 -1.737 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.257 -2.880 1.466 1.00 0.00 H new ATOM 1205 N THR A 75 2.667 -3.537 -2.020 1.00 0.00 N ATOM 1206 CA THR A 75 3.256 -3.023 -3.253 1.00 0.00 C ATOM 1207 C THR A 75 2.333 -3.259 -4.459 1.00 0.00 C ATOM 1208 O THR A 75 2.300 -2.440 -5.375 1.00 0.00 O ATOM 1209 CB THR A 75 4.661 -3.595 -3.458 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.709 -4.944 -3.045 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.679 -2.804 -2.631 1.00 0.00 C ATOM 0 H THR A 75 3.199 -4.271 -1.552 1.00 0.00 H new ATOM 0 HA THR A 75 3.362 -1.942 -3.162 1.00 0.00 H new ATOM 0 HB THR A 75 4.902 -3.523 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.837 -5.364 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.675 -3.220 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.670 -1.760 -2.944 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.418 -2.868 -1.575 1.00 0.00 H new ATOM 1219 N PHE A 76 1.559 -4.349 -4.458 1.00 0.00 N ATOM 1220 CA PHE A 76 0.584 -4.630 -5.502 1.00 0.00 C ATOM 1221 C PHE A 76 -0.488 -3.541 -5.504 1.00 0.00 C ATOM 1222 O PHE A 76 -0.848 -3.046 -6.567 1.00 0.00 O ATOM 1223 CB PHE A 76 -0.035 -6.030 -5.324 1.00 0.00 C ATOM 1224 CG PHE A 76 -0.657 -6.707 -6.540 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -0.663 -6.114 -7.820 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -1.187 -8.002 -6.380 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -1.177 -6.817 -8.925 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -1.713 -8.698 -7.482 1.00 0.00 C ATOM 1229 CZ PHE A 76 -1.703 -8.108 -8.757 1.00 0.00 C ATOM 0 H PHE A 76 1.596 -5.060 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 76 1.088 -4.627 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.742 -6.690 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.804 -5.958 -4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.271 -5.116 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.189 -8.464 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.167 -6.363 -9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.125 -9.687 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.099 -8.646 -9.606 1.00 0.00 H new ATOM 1239 N LEU A 77 -0.969 -3.134 -4.323 1.00 0.00 N ATOM 1240 CA LEU A 77 -1.880 -2.007 -4.176 1.00 0.00 C ATOM 1241 C LEU A 77 -1.226 -0.796 -4.840 1.00 0.00 C ATOM 1242 O LEU A 77 -1.807 -0.179 -5.732 1.00 0.00 O ATOM 1243 CB LEU A 77 -2.159 -1.775 -2.682 1.00 0.00 C ATOM 1244 CG LEU A 77 -3.342 -0.858 -2.343 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -3.355 -0.673 -0.822 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -3.272 0.525 -3.001 1.00 0.00 C ATOM 0 H LEU A 77 -0.731 -3.585 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.840 -2.194 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.332 -2.743 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.261 -1.356 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.245 -1.333 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.185 -0.025 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.473 -1.643 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.417 -0.220 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.144 1.111 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.367 1.037 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.255 0.412 -4.085 1.00 0.00 H new ATOM 1258 N GLY A 78 0.011 -0.500 -4.426 1.00 0.00 N ATOM 1259 CA GLY A 78 0.837 0.537 -5.022 1.00 0.00 C ATOM 1260 C GLY A 78 0.766 0.504 -6.550 1.00 0.00 C ATOM 1261 O GLY A 78 0.418 1.504 -7.169 1.00 0.00 O ATOM 0 H GLY A 78 0.467 -0.987 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.512 1.513 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.871 0.408 -4.702 1.00 0.00 H new ATOM 1265 N ALA A 79 1.072 -0.644 -7.157 1.00 0.00 N ATOM 1266 CA ALA A 79 1.073 -0.811 -8.605 1.00 0.00 C ATOM 1267 C ALA A 79 -0.318 -0.591 -9.216 1.00 0.00 C ATOM 1268 O ALA A 79 -0.471 0.204 -10.142 1.00 0.00 O ATOM 1269 CB ALA A 79 1.619 -2.195 -8.964 1.00 0.00 C ATOM 0 H ALA A 79 1.328 -1.490 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 79 1.723 -0.047 -9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.618 -2.317 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.638 -2.293 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.990 -2.962 -8.512 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.327 -1.304 -8.706 1.00 0.00 N ATOM 1276 CA LEU A 80 -2.706 -1.246 -9.185 1.00 0.00 C ATOM 1277 C LEU A 80 -3.232 0.188 -9.148 1.00 0.00 C ATOM 1278 O LEU A 80 -3.949 0.618 -10.046 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.598 -2.166 -8.338 1.00 0.00 C ATOM 1280 CG LEU A 80 -3.320 -3.661 -8.574 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -3.927 -4.482 -7.431 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.901 -4.146 -9.908 1.00 0.00 C ATOM 0 H LEU A 80 -1.201 -1.953 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.728 -1.589 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.448 -1.937 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.644 -1.957 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.239 -3.796 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.730 -5.541 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.480 -4.175 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.003 -4.315 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.683 -5.206 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.980 -3.995 -9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.453 -3.582 -10.726 1.00 0.00 H new ATOM 1294 N ALA A 81 -2.866 0.936 -8.109 1.00 0.00 N ATOM 1295 CA ALA A 81 -3.141 2.357 -8.053 1.00 0.00 C ATOM 1296 C ALA A 81 -2.319 3.101 -9.111 1.00 0.00 C ATOM 1297 O ALA A 81 -2.874 3.835 -9.922 1.00 0.00 O ATOM 1298 CB ALA A 81 -2.832 2.861 -6.649 1.00 0.00 C ATOM 0 H ALA A 81 -2.375 0.572 -7.293 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.193 2.543 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.035 3.930 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.457 2.335 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.782 2.679 -6.420 1.00 0.00 H new ATOM 1304 N MET A 82 -0.995 2.924 -9.105 1.00 0.00 N ATOM 1305 CA MET A 82 -0.063 3.655 -9.953 1.00 0.00 C ATOM 1306 C MET A 82 -0.441 3.587 -11.435 1.00 0.00 C ATOM 1307 O MET A 82 -0.308 4.589 -12.137 1.00 0.00 O ATOM 1308 CB MET A 82 1.367 3.148 -9.712 1.00 0.00 C ATOM 1309 CG MET A 82 2.401 3.994 -10.462 1.00 0.00 C ATOM 1310 SD MET A 82 4.141 3.603 -10.139 1.00 0.00 S ATOM 1311 CE MET A 82 4.238 1.916 -10.776 1.00 0.00 C ATOM 0 H MET A 82 -0.535 2.250 -8.493 1.00 0.00 H new ATOM 0 HA MET A 82 -0.116 4.708 -9.678 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.585 3.168 -8.644 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.444 2.109 -10.033 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.219 3.889 -11.532 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.233 5.042 -10.212 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.273 1.575 -10.746 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.621 1.259 -10.162 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.879 1.894 -11.805 1.00 0.00 H new ATOM 1321 N ILE A 83 -0.893 2.427 -11.928 1.00 0.00 N ATOM 1322 CA ILE A 83 -1.321 2.318 -13.323 1.00 0.00 C ATOM 1323 C ILE A 83 -2.439 3.316 -13.658 1.00 0.00 C ATOM 1324 O ILE A 83 -2.507 3.780 -14.800 1.00 0.00 O ATOM 1325 CB ILE A 83 -1.662 0.874 -13.740 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.765 0.260 -12.869 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -0.392 0.010 -13.726 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -3.328 -1.043 -13.443 1.00 0.00 C ATOM 0 H ILE A 83 -0.970 1.564 -11.389 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.461 2.596 -13.932 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.056 0.905 -14.756 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.368 0.069 -11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.575 0.981 -12.757 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.642 -1.009 -14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.336 0.422 -14.424 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.032 0.003 -12.722 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.104 -1.427 -12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.753 -0.853 -14.428 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.528 -1.778 -13.529 1.00 0.00 H new ATOM 1340 N TYR A 84 -3.272 3.706 -12.680 1.00 0.00 N ATOM 1341 CA TYR A 84 -4.213 4.816 -12.813 1.00 0.00 C ATOM 1342 C TYR A 84 -3.400 6.114 -12.712 1.00 0.00 C ATOM 1343 O TYR A 84 -3.492 6.889 -11.761 1.00 0.00 O ATOM 1344 CB TYR A 84 -5.339 4.709 -11.769 1.00 0.00 C ATOM 1345 CG TYR A 84 -6.078 3.378 -11.693 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -6.155 2.517 -12.807 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -6.758 3.030 -10.508 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -6.875 1.313 -12.725 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.515 1.845 -10.441 1.00 0.00 C ATOM 1350 CZ TYR A 84 -7.563 0.980 -11.548 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.320 -0.153 -11.520 1.00 0.00 O ATOM 0 H TYR A 84 -3.307 3.251 -11.768 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.723 4.797 -13.776 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.914 4.919 -10.787 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.069 5.492 -11.974 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.658 2.784 -13.728 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.698 3.677 -9.645 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.899 0.642 -13.571 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.058 1.601 -9.540 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.040 -0.049 -10.864 1.00 0.00 H new ATOM 1361 N ASN A 85 -2.556 6.296 -13.724 1.00 0.00 N ATOM 1362 CA ASN A 85 -1.503 7.288 -13.815 1.00 0.00 C ATOM 1363 C ASN A 85 -2.061 8.686 -14.076 1.00 0.00 C ATOM 1364 O ASN A 85 -3.260 8.860 -14.292 1.00 0.00 O ATOM 1365 CB ASN A 85 -0.512 6.859 -14.906 1.00 0.00 C ATOM 1366 CG ASN A 85 -1.145 6.872 -16.294 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -1.059 7.867 -17.004 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -1.782 5.773 -16.698 1.00 0.00 N ATOM 0 H ASN A 85 -2.598 5.710 -14.558 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.982 7.345 -12.859 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.350 7.526 -14.895 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.143 5.857 -14.686 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.215 5.745 -17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.837 4.960 -16.084 1.00 0.00 H new ATOM 1375 N GLU A 86 -1.172 9.683 -14.028 1.00 0.00 N ATOM 1376 CA GLU A 86 -1.466 11.108 -14.125 1.00 0.00 C ATOM 1377 C GLU A 86 -2.238 11.583 -12.889 1.00 0.00 C ATOM 1378 O GLU A 86 -1.710 12.364 -12.101 1.00 0.00 O ATOM 1379 CB GLU A 86 -2.163 11.450 -15.454 1.00 0.00 C ATOM 1380 CG GLU A 86 -2.225 12.966 -15.681 1.00 0.00 C ATOM 1381 CD GLU A 86 -2.912 13.296 -17.001 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -4.159 13.213 -17.026 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -2.179 13.615 -17.963 1.00 0.00 O ATOM 0 H GLU A 86 -0.175 9.503 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.527 11.662 -14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.628 10.979 -16.279 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.173 11.039 -15.453 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.764 13.438 -14.859 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.216 13.379 -15.680 1.00 0.00 H new ATOM 1390 N ALA A 87 -3.465 11.084 -12.713 1.00 0.00 N ATOM 1391 CA ALA A 87 -4.392 11.452 -11.649 1.00 0.00 C ATOM 1392 C ALA A 87 -3.695 11.604 -10.295 1.00 0.00 C ATOM 1393 O ALA A 87 -3.847 12.630 -9.642 1.00 0.00 O ATOM 1394 CB ALA A 87 -5.521 10.419 -11.584 1.00 0.00 C ATOM 0 H ALA A 87 -3.853 10.380 -13.340 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.811 12.431 -11.883 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.217 10.690 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.049 10.397 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.102 9.434 -11.379 1.00 0.00 H new ATOM 1400 N LEU A 88 -2.907 10.605 -9.887 1.00 0.00 N ATOM 1401 CA LEU A 88 -2.084 10.684 -8.685 1.00 0.00 C ATOM 1402 C LEU A 88 -0.605 10.480 -9.025 1.00 0.00 C ATOM 1403 O LEU A 88 0.109 9.777 -8.311 1.00 0.00 O ATOM 1404 CB LEU A 88 -2.608 9.743 -7.587 1.00 0.00 C ATOM 1405 CG LEU A 88 -2.646 8.248 -7.962 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -2.438 7.411 -6.696 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -3.988 7.843 -8.584 1.00 0.00 C ATOM 0 H LEU A 88 -2.824 9.718 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.161 11.688 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.984 9.863 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.615 10.057 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.858 8.072 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.463 6.352 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.472 7.654 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.230 7.630 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.969 6.782 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.791 8.035 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.159 8.424 -9.490 1.00 0.00 H new ATOM 1479 N SER B 3 -15.923 -3.770 -9.284 1.00 0.00 N ATOM 1480 CA SER B 3 -15.933 -4.917 -8.397 1.00 0.00 C ATOM 1481 C SER B 3 -15.296 -4.520 -7.059 1.00 0.00 C ATOM 1482 O SER B 3 -14.403 -3.674 -7.073 1.00 0.00 O ATOM 1483 CB SER B 3 -15.180 -6.050 -9.101 1.00 0.00 C ATOM 1484 OG SER B 3 -15.743 -6.273 -10.386 1.00 0.00 O ATOM 0 HA SER B 3 -16.944 -5.260 -8.177 1.00 0.00 H new ATOM 0 HB2 SER B 3 -14.125 -5.795 -9.195 1.00 0.00 H new ATOM 0 HB3 SER B 3 -15.236 -6.961 -8.506 1.00 0.00 H new ATOM 0 HG SER B 3 -16.172 -5.451 -10.702 1.00 0.00 H new ATOM 1490 N PRO B 4 -15.718 -5.099 -5.918 1.00 0.00 N ATOM 1491 CA PRO B 4 -15.336 -4.675 -4.574 1.00 0.00 C ATOM 1492 C PRO B 4 -13.887 -4.200 -4.420 1.00 0.00 C ATOM 1493 O PRO B 4 -13.650 -3.085 -3.965 1.00 0.00 O ATOM 1494 CB PRO B 4 -15.664 -5.862 -3.668 1.00 0.00 C ATOM 1495 CG PRO B 4 -16.924 -6.417 -4.331 1.00 0.00 C ATOM 1496 CD PRO B 4 -16.667 -6.202 -5.826 1.00 0.00 C ATOM 0 HA PRO B 4 -15.893 -3.777 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.857 -6.594 -3.644 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -15.845 -5.554 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -17.069 -7.471 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -17.818 -5.890 -3.998 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -16.262 -7.104 -6.286 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -17.593 -5.965 -6.350 1.00 0.00 H new ATOM 1504 N LEU B 5 -12.916 -5.028 -4.813 1.00 0.00 N ATOM 1505 CA LEU B 5 -11.505 -4.669 -4.735 1.00 0.00 C ATOM 1506 C LEU B 5 -11.243 -3.365 -5.495 1.00 0.00 C ATOM 1507 O LEU B 5 -10.660 -2.430 -4.949 1.00 0.00 O ATOM 1508 CB LEU B 5 -10.659 -5.847 -5.252 1.00 0.00 C ATOM 1509 CG LEU B 5 -9.130 -5.725 -5.108 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -8.483 -4.885 -6.216 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -8.697 -5.219 -3.725 1.00 0.00 C ATOM 0 H LEU B 5 -13.088 -5.960 -5.191 1.00 0.00 H new ATOM 0 HA LEU B 5 -11.216 -4.482 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -10.978 -6.749 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -10.890 -5.992 -6.307 1.00 0.00 H new ATOM 0 HG LEU B 5 -8.761 -6.745 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -7.406 -4.839 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -8.686 -5.342 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -8.896 -3.877 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -7.610 -5.154 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -9.126 -4.233 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.048 -5.910 -2.959 1.00 0.00 H new ATOM 1523 N ASP B 6 -11.693 -3.280 -6.749 1.00 0.00 N ATOM 1524 CA ASP B 6 -11.470 -2.102 -7.573 1.00 0.00 C ATOM 1525 C ASP B 6 -12.212 -0.894 -7.012 1.00 0.00 C ATOM 1526 O ASP B 6 -11.665 0.203 -6.993 1.00 0.00 O ATOM 1527 CB ASP B 6 -11.867 -2.368 -9.028 1.00 0.00 C ATOM 1528 CG ASP B 6 -11.666 -1.114 -9.874 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.495 -0.685 -9.992 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.690 -0.601 -10.377 1.00 0.00 O ATOM 0 H ASP B 6 -12.217 -4.022 -7.214 1.00 0.00 H new ATOM 0 HA ASP B 6 -10.404 -1.875 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -11.269 -3.185 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -12.910 -2.683 -9.075 1.00 0.00 H new ATOM 1535 N GLN B 7 -13.444 -1.084 -6.537 1.00 0.00 N ATOM 1536 CA GLN B 7 -14.188 -0.036 -5.854 1.00 0.00 C ATOM 1537 C GLN B 7 -13.382 0.482 -4.662 1.00 0.00 C ATOM 1538 O GLN B 7 -13.324 1.689 -4.425 1.00 0.00 O ATOM 1539 CB GLN B 7 -15.568 -0.572 -5.440 1.00 0.00 C ATOM 1540 CG GLN B 7 -16.472 0.474 -4.767 1.00 0.00 C ATOM 1541 CD GLN B 7 -16.357 0.485 -3.242 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -17.087 -0.224 -2.558 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -15.461 1.292 -2.683 1.00 0.00 N ATOM 0 H GLN B 7 -13.949 -1.967 -6.617 1.00 0.00 H new ATOM 0 HA GLN B 7 -14.350 0.808 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -16.075 -0.960 -6.323 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -15.430 -1.411 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -16.219 1.463 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -17.508 0.280 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -14.863 1.874 -3.269 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -15.371 1.329 -1.668 1.00 0.00 H new ATOM 1552 N ALA B 8 -12.786 -0.428 -3.889 1.00 0.00 N ATOM 1553 CA ALA B 8 -12.049 -0.073 -2.689 1.00 0.00 C ATOM 1554 C ALA B 8 -10.776 0.689 -3.052 1.00 0.00 C ATOM 1555 O ALA B 8 -10.510 1.747 -2.483 1.00 0.00 O ATOM 1556 CB ALA B 8 -11.757 -1.329 -1.873 1.00 0.00 C ATOM 0 H ALA B 8 -12.804 -1.429 -4.083 1.00 0.00 H new ATOM 0 HA ALA B 8 -12.653 0.591 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -11.204 -1.058 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -12.696 -1.807 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -11.163 -2.021 -2.470 1.00 0.00 H new ATOM 1562 N ILE B 9 -10.011 0.183 -4.027 1.00 0.00 N ATOM 1563 CA ILE B 9 -8.873 0.904 -4.591 1.00 0.00 C ATOM 1564 C ILE B 9 -9.333 2.297 -5.024 1.00 0.00 C ATOM 1565 O ILE B 9 -8.736 3.290 -4.624 1.00 0.00 O ATOM 1566 CB ILE B 9 -8.244 0.117 -5.760 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -7.599 -1.206 -5.307 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -7.219 0.961 -6.536 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -6.274 -1.053 -4.555 1.00 0.00 C ATOM 0 H ILE B 9 -10.166 -0.735 -4.443 1.00 0.00 H new ATOM 0 HA ILE B 9 -8.096 1.011 -3.834 1.00 0.00 H new ATOM 0 HB ILE B 9 -9.071 -0.127 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -8.304 -1.737 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -7.432 -1.831 -6.184 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.801 0.368 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.710 1.844 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.418 1.270 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -5.897 -2.037 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.547 -0.554 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -6.433 -0.458 -3.655 1.00 0.00 H new ATOM 1581 N GLY B 10 -10.404 2.374 -5.816 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.994 3.616 -6.289 1.00 0.00 C ATOM 1583 C GLY B 10 -11.243 4.590 -5.138 1.00 0.00 C ATOM 1584 O GLY B 10 -10.802 5.736 -5.185 1.00 0.00 O ATOM 0 H GLY B 10 -10.895 1.546 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.333 4.078 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.934 3.403 -6.797 1.00 0.00 H new ATOM 1588 N LEU B 11 -11.938 4.133 -4.094 1.00 0.00 N ATOM 1589 CA LEU B 11 -12.212 4.945 -2.918 1.00 0.00 C ATOM 1590 C LEU B 11 -10.899 5.436 -2.298 1.00 0.00 C ATOM 1591 O LEU B 11 -10.715 6.636 -2.092 1.00 0.00 O ATOM 1592 CB LEU B 11 -13.062 4.131 -1.928 1.00 0.00 C ATOM 1593 CG LEU B 11 -13.478 4.900 -0.662 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -14.343 6.120 -0.999 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -14.276 3.965 0.255 1.00 0.00 C ATOM 0 H LEU B 11 -12.324 3.190 -4.045 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.781 5.832 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -13.960 3.785 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -12.502 3.244 -1.632 1.00 0.00 H new ATOM 0 HG LEU B 11 -12.572 5.249 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -14.617 6.637 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -13.782 6.797 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -15.246 5.794 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -14.574 4.504 1.154 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -15.165 3.614 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -13.657 3.112 0.532 1.00 0.00 H new ATOM 1607 N LEU B 12 -9.982 4.509 -2.016 1.00 0.00 N ATOM 1608 CA LEU B 12 -8.700 4.797 -1.387 1.00 0.00 C ATOM 1609 C LEU B 12 -7.924 5.855 -2.179 1.00 0.00 C ATOM 1610 O LEU B 12 -7.600 6.922 -1.654 1.00 0.00 O ATOM 1611 CB LEU B 12 -7.916 3.481 -1.257 1.00 0.00 C ATOM 1612 CG LEU B 12 -6.542 3.601 -0.584 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -6.642 4.155 0.840 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -5.914 2.207 -0.529 1.00 0.00 C ATOM 0 H LEU B 12 -10.116 3.519 -2.224 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.857 5.215 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -8.519 2.772 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -7.779 3.059 -2.252 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.935 4.294 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -5.645 4.222 1.275 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.094 5.147 0.814 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.259 3.491 1.446 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.935 2.268 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -6.556 1.541 0.047 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.803 1.818 -1.541 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.616 5.557 -3.444 1.00 0.00 N ATOM 1627 CA ILE B 13 -6.823 6.433 -4.295 1.00 0.00 C ATOM 1628 C ILE B 13 -7.561 7.747 -4.538 1.00 0.00 C ATOM 1629 O ILE B 13 -6.938 8.804 -4.526 1.00 0.00 O ATOM 1630 CB ILE B 13 -6.379 5.736 -5.597 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.519 5.416 -6.582 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -5.599 4.458 -5.268 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -7.640 6.466 -7.692 1.00 0.00 C ATOM 0 H ILE B 13 -7.913 4.696 -3.904 1.00 0.00 H new ATOM 0 HA ILE B 13 -5.898 6.674 -3.771 1.00 0.00 H new ATOM 0 HB ILE B 13 -5.743 6.458 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.346 4.437 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -8.461 5.356 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.289 3.972 -6.193 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.718 4.711 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -6.235 3.781 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -8.457 6.196 -8.361 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -7.840 7.442 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -6.708 6.508 -8.256 1.00 0.00 H new ATOM 1645 N GLY B 14 -8.883 7.697 -4.727 1.00 0.00 N ATOM 1646 CA GLY B 14 -9.705 8.874 -4.931 1.00 0.00 C ATOM 1647 C GLY B 14 -9.590 9.822 -3.744 1.00 0.00 C ATOM 1648 O GLY B 14 -9.231 10.985 -3.905 1.00 0.00 O ATOM 0 H GLY B 14 -9.410 6.824 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -9.397 9.386 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -10.745 8.578 -5.067 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.881 9.336 -2.536 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.833 10.177 -1.347 1.00 0.00 C ATOM 1654 C ILE B 15 -8.392 10.634 -1.092 1.00 0.00 C ATOM 1655 O ILE B 15 -8.162 11.807 -0.791 1.00 0.00 O ATOM 1656 CB ILE B 15 -10.471 9.451 -0.151 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -11.953 9.112 -0.415 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -10.325 10.283 1.132 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -12.917 10.299 -0.308 1.00 0.00 C ATOM 0 H ILE B 15 -10.151 8.368 -2.359 1.00 0.00 H new ATOM 0 HA ILE B 15 -10.424 11.080 -1.501 1.00 0.00 H new ATOM 0 HB ILE B 15 -9.937 8.510 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -12.040 8.681 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -12.266 8.344 0.292 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -10.783 9.750 1.965 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -9.268 10.445 1.342 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -10.820 11.245 1.000 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -13.934 9.961 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -12.867 10.719 0.697 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.637 11.062 -1.035 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.412 9.738 -1.254 1.00 0.00 N ATOM 1672 CA PHE B 16 -6.007 10.116 -1.157 1.00 0.00 C ATOM 1673 C PHE B 16 -5.699 11.292 -2.082 1.00 0.00 C ATOM 1674 O PHE B 16 -5.148 12.296 -1.637 1.00 0.00 O ATOM 1675 CB PHE B 16 -5.090 8.919 -1.453 1.00 0.00 C ATOM 1676 CG PHE B 16 -3.615 9.279 -1.519 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -2.859 9.377 -0.336 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -3.043 9.671 -2.746 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -1.537 9.854 -0.381 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -1.734 10.185 -2.783 1.00 0.00 C ATOM 1681 CZ PHE B 16 -0.978 10.271 -1.602 1.00 0.00 C ATOM 0 H PHE B 16 -7.570 8.750 -1.452 1.00 0.00 H new ATOM 0 HA PHE B 16 -5.811 10.434 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.236 8.162 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -5.388 8.470 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -3.295 9.085 0.608 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -3.611 9.577 -3.660 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.950 9.900 0.524 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -1.310 10.514 -3.720 1.00 0.00 H new ATOM 0 HZ PHE B 16 0.030 10.657 -1.632 1.00 0.00 H new ATOM 1691 N HIS B 17 -6.070 11.176 -3.358 1.00 0.00 N ATOM 1692 CA HIS B 17 -5.929 12.236 -4.341 1.00 0.00 C ATOM 1693 C HIS B 17 -6.704 13.477 -3.892 1.00 0.00 C ATOM 1694 O HIS B 17 -6.229 14.591 -4.098 1.00 0.00 O ATOM 1695 CB HIS B 17 -6.389 11.722 -5.715 1.00 0.00 C ATOM 1696 CG HIS B 17 -6.328 12.716 -6.852 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -5.987 14.049 -6.772 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -6.754 12.481 -8.132 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -6.207 14.598 -7.978 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -6.684 13.685 -8.838 1.00 0.00 N ATOM 0 H HIS B 17 -6.484 10.325 -3.738 1.00 0.00 H new ATOM 0 HA HIS B 17 -4.883 12.529 -4.430 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -5.778 10.859 -5.981 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -7.416 11.369 -5.623 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -5.632 14.531 -5.946 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -7.086 11.532 -8.527 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -6.025 15.634 -8.222 1.00 0.00 H new ATOM 1708 N LYS B 18 -7.887 13.308 -3.296 1.00 0.00 N ATOM 1709 CA LYS B 18 -8.723 14.432 -2.895 1.00 0.00 C ATOM 1710 C LYS B 18 -7.968 15.306 -1.894 1.00 0.00 C ATOM 1711 O LYS B 18 -7.912 16.523 -2.058 1.00 0.00 O ATOM 1712 CB LYS B 18 -10.071 13.942 -2.344 1.00 0.00 C ATOM 1713 CG LYS B 18 -11.069 15.097 -2.195 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.410 14.565 -1.677 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.413 15.697 -1.423 1.00 0.00 C ATOM 1716 NZ LYS B 18 -13.747 16.429 -2.657 1.00 0.00 N ATOM 0 H LYS B 18 -8.286 12.394 -3.081 1.00 0.00 H new ATOM 0 HA LYS B 18 -8.948 15.045 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.485 13.186 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.918 13.464 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.674 15.844 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.211 15.592 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.827 13.865 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.248 14.009 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.324 15.283 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.998 16.391 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.513 17.105 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.908 16.944 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.056 15.756 -3.387 1.00 0.00 H new ATOM 1730 N TYR B 19 -7.356 14.690 -0.878 1.00 0.00 N ATOM 1731 CA TYR B 19 -6.442 15.417 -0.008 1.00 0.00 C ATOM 1732 C TYR B 19 -5.235 15.886 -0.817 1.00 0.00 C ATOM 1733 O TYR B 19 -5.031 17.077 -1.022 1.00 0.00 O ATOM 1734 CB TYR B 19 -5.991 14.547 1.171 1.00 0.00 C ATOM 1735 CG TYR B 19 -7.065 14.303 2.204 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -7.406 15.322 3.111 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -7.705 13.054 2.275 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -8.413 15.104 4.066 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.716 12.838 3.226 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.087 13.872 4.102 1.00 0.00 C ATOM 1741 OH TYR B 19 -10.072 13.670 5.020 1.00 0.00 O ATOM 0 H TYR B 19 -7.477 13.705 -0.644 1.00 0.00 H new ATOM 0 HA TYR B 19 -6.963 16.283 0.400 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.645 13.587 0.788 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -5.138 15.023 1.655 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -6.894 16.272 3.073 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -7.420 12.261 1.599 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -8.668 15.882 4.771 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -9.208 11.878 3.284 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.439 12.768 4.913 1.00 0.00 H new ATOM 1751 N SER B 20 -4.430 14.937 -1.280 1.00 0.00 N ATOM 1752 CA SER B 20 -3.125 15.171 -1.884 1.00 0.00 C ATOM 1753 C SER B 20 -3.135 16.137 -3.077 1.00 0.00 C ATOM 1754 O SER B 20 -2.076 16.609 -3.477 1.00 0.00 O ATOM 1755 CB SER B 20 -2.537 13.816 -2.270 1.00 0.00 C ATOM 1756 OG SER B 20 -2.548 12.966 -1.139 1.00 0.00 O ATOM 0 H SER B 20 -4.678 13.948 -1.244 1.00 0.00 H new ATOM 0 HA SER B 20 -2.503 15.675 -1.144 1.00 0.00 H new ATOM 0 HB2 SER B 20 -3.116 13.372 -3.079 1.00 0.00 H new ATOM 0 HB3 SER B 20 -1.518 13.939 -2.637 1.00 0.00 H new ATOM 0 HG SER B 20 -2.118 12.115 -1.365 1.00 0.00 H new ATOM 1762 N GLY B 21 -4.301 16.411 -3.669 1.00 0.00 N ATOM 1763 CA GLY B 21 -4.474 17.332 -4.781 1.00 0.00 C ATOM 1764 C GLY B 21 -4.705 18.784 -4.353 1.00 0.00 C ATOM 1765 O GLY B 21 -4.418 19.689 -5.136 1.00 0.00 O ATOM 0 H GLY B 21 -5.176 15.980 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -3.591 17.287 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -5.319 17.002 -5.385 1.00 0.00 H new ATOM 1769 N LYS B 22 -5.241 19.051 -3.152 1.00 0.00 N ATOM 1770 CA LYS B 22 -5.410 20.438 -2.730 1.00 0.00 C ATOM 1771 C LYS B 22 -4.033 21.030 -2.420 1.00 0.00 C ATOM 1772 O LYS B 22 -3.490 20.851 -1.333 1.00 0.00 O ATOM 1773 CB LYS B 22 -6.442 20.616 -1.601 1.00 0.00 C ATOM 1774 CG LYS B 22 -6.330 19.613 -0.451 1.00 0.00 C ATOM 1775 CD LYS B 22 -7.039 20.089 0.821 1.00 0.00 C ATOM 1776 CE LYS B 22 -8.550 20.181 0.597 1.00 0.00 C ATOM 1777 NZ LYS B 22 -9.258 20.518 1.844 1.00 0.00 N ATOM 0 H LYS B 22 -5.553 18.349 -2.481 1.00 0.00 H new ATOM 0 HA LYS B 22 -5.848 21.006 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -6.342 21.623 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -7.442 20.543 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.755 18.659 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.277 19.436 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.829 19.400 1.639 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.650 21.063 1.117 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.762 20.937 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.921 19.231 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -10.280 20.573 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -9.074 19.783 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -8.920 21.436 2.198 1.00 0.00 H new ATOM 1791 N GLU B 23 -3.448 21.689 -3.422 1.00 0.00 N ATOM 1792 CA GLU B 23 -2.150 22.363 -3.394 1.00 0.00 C ATOM 1793 C GLU B 23 -1.000 21.358 -3.486 1.00 0.00 C ATOM 1794 O GLU B 23 -0.052 21.581 -4.235 1.00 0.00 O ATOM 1795 CB GLU B 23 -1.998 23.317 -2.198 1.00 0.00 C ATOM 1796 CG GLU B 23 -3.125 24.358 -2.151 1.00 0.00 C ATOM 1797 CD GLU B 23 -2.907 25.351 -1.016 1.00 0.00 C ATOM 1798 OE1 GLU B 23 -2.005 26.202 -1.174 1.00 0.00 O ATOM 1799 OE2 GLU B 23 -3.630 25.231 -0.004 1.00 0.00 O ATOM 0 H GLU B 23 -3.898 21.771 -4.334 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.103 22.994 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -1.996 22.742 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.036 23.826 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.172 24.891 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.083 23.855 -2.020 1.00 0.00 H new ATOM 1806 N GLY B 24 -1.078 20.256 -2.738 1.00 0.00 N ATOM 1807 CA GLY B 24 -0.163 19.140 -2.925 1.00 0.00 C ATOM 1808 C GLY B 24 -0.204 18.664 -4.379 1.00 0.00 C ATOM 1809 O GLY B 24 -1.230 18.772 -5.053 1.00 0.00 O ATOM 0 H GLY B 24 -1.767 20.117 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY B 24 0.851 19.443 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -0.435 18.321 -2.258 1.00 0.00 H new ATOM 1813 N ASP B 25 0.905 18.118 -4.884 1.00 0.00 N ATOM 1814 CA ASP B 25 1.017 17.751 -6.293 1.00 0.00 C ATOM 1815 C ASP B 25 0.378 16.384 -6.582 1.00 0.00 C ATOM 1816 O ASP B 25 0.929 15.606 -7.357 1.00 0.00 O ATOM 1817 CB ASP B 25 2.496 17.810 -6.710 1.00 0.00 C ATOM 1818 CG ASP B 25 2.706 17.592 -8.209 1.00 0.00 C ATOM 1819 OD1 ASP B 25 1.893 18.133 -8.990 1.00 0.00 O ATOM 1820 OD2 ASP B 25 3.684 16.891 -8.547 1.00 0.00 O ATOM 0 H ASP B 25 1.740 17.921 -4.333 1.00 0.00 H new ATOM 0 HA ASP B 25 0.458 18.466 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP B 25 2.908 18.779 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP B 25 3.054 17.054 -6.157 1.00 0.00 H new ATOM 1825 N LYS B 26 -0.772 16.073 -5.969 1.00 0.00 N ATOM 1826 CA LYS B 26 -1.581 14.876 -6.205 1.00 0.00 C ATOM 1827 C LYS B 26 -0.939 13.586 -5.670 1.00 0.00 C ATOM 1828 O LYS B 26 -1.588 12.816 -4.970 1.00 0.00 O ATOM 1829 CB LYS B 26 -1.985 14.748 -7.682 1.00 0.00 C ATOM 1830 CG LYS B 26 -2.586 16.048 -8.242 1.00 0.00 C ATOM 1831 CD LYS B 26 -3.179 15.864 -9.646 1.00 0.00 C ATOM 1832 CE LYS B 26 -2.113 15.464 -10.670 1.00 0.00 C ATOM 1833 NZ LYS B 26 -2.679 15.311 -12.019 1.00 0.00 N ATOM 0 H LYS B 26 -1.181 16.682 -5.260 1.00 0.00 H new ATOM 0 HA LYS B 26 -2.492 15.011 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -1.111 14.472 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -2.710 13.941 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -3.363 16.406 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -1.814 16.817 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -3.956 15.100 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -3.656 16.791 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -1.327 16.219 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -1.648 14.527 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -2.510 14.343 -12.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -3.702 15.493 -11.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -2.225 15.989 -12.665 1.00 0.00 H new ATOM 1847 N HIS B 27 0.331 13.338 -5.995 1.00 0.00 N ATOM 1848 CA HIS B 27 1.082 12.154 -5.610 1.00 0.00 C ATOM 1849 C HIS B 27 1.598 12.230 -4.167 1.00 0.00 C ATOM 1850 O HIS B 27 2.157 11.248 -3.676 1.00 0.00 O ATOM 1851 CB HIS B 27 2.252 12.005 -6.592 1.00 0.00 C ATOM 1852 CG HIS B 27 2.975 10.684 -6.501 1.00 0.00 C ATOM 1853 ND1 HIS B 27 2.591 9.512 -7.109 1.00 0.00 N ATOM 1854 CD2 HIS B 27 4.125 10.431 -5.804 1.00 0.00 C ATOM 1855 CE1 HIS B 27 3.503 8.577 -6.799 1.00 0.00 C ATOM 1856 NE2 HIS B 27 4.446 9.081 -5.984 1.00 0.00 N ATOM 0 H HIS B 27 0.882 13.987 -6.557 1.00 0.00 H new ATOM 0 HA HIS B 27 0.423 11.286 -5.651 1.00 0.00 H new ATOM 0 HB2 HIS B 27 1.877 12.131 -7.608 1.00 0.00 H new ATOM 0 HB3 HIS B 27 2.966 12.809 -6.413 1.00 0.00 H new ATOM 0 HD1 HIS B 27 1.764 9.377 -7.690 1.00 0.00 H new ATOM 0 HD2 HIS B 27 4.685 11.146 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS B 27 3.482 7.558 -7.156 1.00 0.00 H new ATOM 1864 N THR B 28 1.465 13.378 -3.492 1.00 0.00 N ATOM 1865 CA THR B 28 2.020 13.593 -2.168 1.00 0.00 C ATOM 1866 C THR B 28 0.985 14.216 -1.239 1.00 0.00 C ATOM 1867 O THR B 28 0.316 15.185 -1.595 1.00 0.00 O ATOM 1868 CB THR B 28 3.320 14.416 -2.234 1.00 0.00 C ATOM 1869 OG1 THR B 28 3.810 14.643 -0.926 1.00 0.00 O ATOM 1870 CG2 THR B 28 3.152 15.767 -2.936 1.00 0.00 C ATOM 0 H THR B 28 0.963 14.186 -3.861 1.00 0.00 H new ATOM 0 HA THR B 28 2.285 12.623 -1.747 1.00 0.00 H new ATOM 0 HB THR B 28 4.023 13.828 -2.823 1.00 0.00 H new ATOM 0 HG1 THR B 28 3.627 13.859 -0.367 1.00 0.00 H new ATOM 0 HG21 THR B 28 4.107 16.293 -2.946 1.00 0.00 H new ATOM 0 HG22 THR B 28 2.816 15.606 -3.960 1.00 0.00 H new ATOM 0 HG23 THR B 28 2.414 16.365 -2.402 1.00 0.00 H new ATOM 1878 N LEU B 29 0.891 13.646 -0.041 1.00 0.00 N ATOM 1879 CA LEU B 29 0.137 14.156 1.084 1.00 0.00 C ATOM 1880 C LEU B 29 1.131 14.965 1.920 1.00 0.00 C ATOM 1881 O LEU B 29 1.989 14.404 2.605 1.00 0.00 O ATOM 1882 CB LEU B 29 -0.461 12.966 1.849 1.00 0.00 C ATOM 1883 CG LEU B 29 -1.397 13.373 2.998 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.724 13.931 2.473 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -1.686 12.145 3.869 1.00 0.00 C ATOM 0 H LEU B 29 1.366 12.770 0.175 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.698 14.796 0.799 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -1.012 12.337 1.150 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.351 12.360 2.252 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.902 14.152 3.578 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.360 14.208 3.314 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.531 14.810 1.858 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.226 13.172 1.873 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.350 12.427 4.686 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.163 11.374 3.264 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.751 11.760 4.277 1.00 0.00 H new ATOM 1897 N SER B 30 1.066 16.290 1.795 1.00 0.00 N ATOM 1898 CA SER B 30 2.044 17.224 2.329 1.00 0.00 C ATOM 1899 C SER B 30 1.389 18.246 3.266 1.00 0.00 C ATOM 1900 O SER B 30 0.169 18.258 3.438 1.00 0.00 O ATOM 1901 CB SER B 30 2.834 17.858 1.174 1.00 0.00 C ATOM 1902 OG SER B 30 2.021 18.688 0.373 1.00 0.00 O ATOM 0 H SER B 30 0.303 16.754 1.302 1.00 0.00 H new ATOM 0 HA SER B 30 2.761 16.689 2.951 1.00 0.00 H new ATOM 0 HB2 SER B 30 3.662 18.441 1.578 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.269 17.072 0.557 1.00 0.00 H new ATOM 0 HG SER B 30 1.161 18.246 0.212 1.00 0.00 H new ATOM 1908 N LYS B 31 2.238 19.045 3.921 1.00 0.00 N ATOM 1909 CA LYS B 31 1.955 19.966 5.012 1.00 0.00 C ATOM 1910 C LYS B 31 0.542 20.536 5.018 1.00 0.00 C ATOM 1911 O LYS B 31 -0.158 20.401 6.014 1.00 0.00 O ATOM 1912 CB LYS B 31 3.006 21.087 5.005 1.00 0.00 C ATOM 1913 CG LYS B 31 3.076 21.806 6.358 1.00 0.00 C ATOM 1914 CD LYS B 31 4.180 22.872 6.330 1.00 0.00 C ATOM 1915 CE LYS B 31 4.445 23.455 7.723 1.00 0.00 C ATOM 1916 NZ LYS B 31 3.252 24.113 8.285 1.00 0.00 N ATOM 0 H LYS B 31 3.228 19.060 3.674 1.00 0.00 H new ATOM 0 HA LYS B 31 2.015 19.387 5.934 1.00 0.00 H new ATOM 0 HB2 LYS B 31 3.983 20.668 4.764 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.766 21.807 4.222 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.116 22.271 6.582 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.274 21.086 7.152 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.098 22.434 5.939 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.894 23.674 5.649 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.769 22.659 8.393 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.262 24.174 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.494 24.551 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.917 24.845 7.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.502 23.407 8.429 1.00 0.00 H new ATOM 1930 N LYS B 32 0.127 21.209 3.946 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.154 21.911 3.947 1.00 0.00 C ATOM 1932 C LYS B 32 -2.303 20.908 4.104 1.00 0.00 C ATOM 1933 O LYS B 32 -3.169 21.051 4.967 1.00 0.00 O ATOM 1934 CB LYS B 32 -1.309 22.764 2.681 1.00 0.00 C ATOM 1935 CG LYS B 32 -0.152 23.760 2.517 1.00 0.00 C ATOM 1936 CD LYS B 32 -0.438 24.685 1.328 1.00 0.00 C ATOM 1937 CE LYS B 32 0.692 25.692 1.085 1.00 0.00 C ATOM 1938 NZ LYS B 32 1.939 25.030 0.663 1.00 0.00 N ATOM 0 H LYS B 32 0.653 21.283 3.075 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.185 22.592 4.798 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.354 22.113 1.808 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.253 23.308 2.723 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -0.032 24.347 3.427 1.00 0.00 H new ATOM 0 HG3 LYS B 32 0.784 23.224 2.358 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -0.584 24.084 0.431 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -1.369 25.224 1.506 1.00 0.00 H new ATOM 0 HE2 LYS B 32 0.384 26.406 0.321 1.00 0.00 H new ATOM 0 HE3 LYS B 32 0.874 26.260 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 2.641 25.750 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 2.311 24.458 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 1.746 24.414 -0.153 1.00 0.00 H new ATOM 1952 N GLU B 33 -2.279 19.865 3.275 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.261 18.795 3.285 1.00 0.00 C ATOM 1954 C GLU B 33 -3.274 18.116 4.654 1.00 0.00 C ATOM 1955 O GLU B 33 -4.336 17.890 5.237 1.00 0.00 O ATOM 1956 CB GLU B 33 -2.956 17.780 2.174 1.00 0.00 C ATOM 1957 CG GLU B 33 -2.671 18.450 0.822 1.00 0.00 C ATOM 1958 CD GLU B 33 -1.191 18.712 0.599 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -0.520 17.771 0.122 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -0.740 19.824 0.947 1.00 0.00 O ATOM 0 H GLU B 33 -1.558 19.743 2.564 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.249 19.215 3.096 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -2.096 17.177 2.465 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -3.801 17.100 2.067 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -3.049 17.816 0.020 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -3.215 19.393 0.766 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.080 17.806 5.170 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.931 17.232 6.496 1.00 0.00 C ATOM 1969 C LEU B 34 -2.566 18.137 7.547 1.00 0.00 C ATOM 1970 O LEU B 34 -3.346 17.652 8.356 1.00 0.00 O ATOM 1971 CB LEU B 34 -0.458 16.973 6.830 1.00 0.00 C ATOM 1972 CG LEU B 34 0.167 15.830 6.017 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.664 15.806 6.323 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.424 14.464 6.390 1.00 0.00 C ATOM 0 H LEU B 34 -1.198 17.948 4.677 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.449 16.273 6.503 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.111 17.886 6.654 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.370 16.742 7.892 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.037 16.006 4.961 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.138 15.003 5.759 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.109 16.760 6.039 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.815 15.639 7.389 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.049 13.687 5.789 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.244 14.266 7.447 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.497 14.468 6.199 1.00 0.00 H new ATOM 1986 N LYS B 35 -2.252 19.436 7.547 1.00 0.00 N ATOM 1987 CA LYS B 35 -2.840 20.382 8.483 1.00 0.00 C ATOM 1988 C LYS B 35 -4.365 20.333 8.394 1.00 0.00 C ATOM 1989 O LYS B 35 -5.019 20.164 9.419 1.00 0.00 O ATOM 1990 CB LYS B 35 -2.299 21.804 8.269 1.00 0.00 C ATOM 1991 CG LYS B 35 -0.861 22.001 8.783 1.00 0.00 C ATOM 1992 CD LYS B 35 -0.659 21.788 10.295 1.00 0.00 C ATOM 1993 CE LYS B 35 -1.634 22.577 11.179 1.00 0.00 C ATOM 1994 NZ LYS B 35 -1.580 24.025 10.909 1.00 0.00 N ATOM 0 H LYS B 35 -1.585 19.854 6.898 1.00 0.00 H new ATOM 0 HA LYS B 35 -2.550 20.090 9.492 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.331 22.039 7.205 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.956 22.513 8.772 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -0.206 21.315 8.247 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -0.539 23.011 8.531 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -0.763 20.726 10.518 1.00 0.00 H new ATOM 0 HD3 LYS B 35 0.361 22.070 10.557 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -2.648 22.215 11.012 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -1.400 22.395 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -2.204 24.526 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -0.604 24.364 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -1.894 24.208 9.935 1.00 0.00 H new ATOM 2008 N GLU B 36 -4.937 20.443 7.191 1.00 0.00 N ATOM 2009 CA GLU B 36 -6.382 20.327 7.024 1.00 0.00 C ATOM 2010 C GLU B 36 -6.904 19.046 7.689 1.00 0.00 C ATOM 2011 O GLU B 36 -7.755 19.112 8.579 1.00 0.00 O ATOM 2012 CB GLU B 36 -6.761 20.382 5.536 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.537 21.774 4.928 1.00 0.00 C ATOM 2014 CD GLU B 36 -7.474 22.816 5.532 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -8.695 22.676 5.302 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.957 23.720 6.224 1.00 0.00 O ATOM 0 H GLU B 36 -4.423 20.611 6.326 1.00 0.00 H new ATOM 0 HA GLU B 36 -6.857 21.174 7.519 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -6.171 19.649 4.986 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -7.808 20.101 5.419 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -5.503 22.079 5.089 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -6.691 21.728 3.850 1.00 0.00 H new ATOM 2023 N LEU B 37 -6.384 17.889 7.267 1.00 0.00 N ATOM 2024 CA LEU B 37 -6.774 16.602 7.826 1.00 0.00 C ATOM 2025 C LEU B 37 -6.677 16.624 9.354 1.00 0.00 C ATOM 2026 O LEU B 37 -7.692 16.489 10.036 1.00 0.00 O ATOM 2027 CB LEU B 37 -5.917 15.479 7.218 1.00 0.00 C ATOM 2028 CG LEU B 37 -6.196 14.100 7.843 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -7.570 13.550 7.446 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -5.112 13.110 7.402 1.00 0.00 C ATOM 0 H LEU B 37 -5.683 17.824 6.529 1.00 0.00 H new ATOM 0 HA LEU B 37 -7.815 16.405 7.570 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.102 15.429 6.145 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -4.863 15.724 7.348 1.00 0.00 H new ATOM 0 HG LEU B 37 -6.187 14.224 8.926 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -7.720 12.576 7.911 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -8.347 14.236 7.782 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.621 13.446 6.362 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -5.309 12.134 7.844 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.118 13.024 6.315 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.137 13.468 7.732 1.00 0.00 H new ATOM 2042 N ILE B 38 -5.464 16.757 9.897 1.00 0.00 N ATOM 2043 CA ILE B 38 -5.245 16.610 11.328 1.00 0.00 C ATOM 2044 C ILE B 38 -6.062 17.629 12.122 1.00 0.00 C ATOM 2045 O ILE B 38 -6.659 17.260 13.127 1.00 0.00 O ATOM 2046 CB ILE B 38 -3.748 16.586 11.699 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -3.020 17.915 11.443 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -3.045 15.433 10.967 1.00 0.00 C ATOM 2049 CD1 ILE B 38 -2.874 18.757 12.714 1.00 0.00 C ATOM 0 H ILE B 38 -4.621 16.966 9.362 1.00 0.00 H new ATOM 0 HA ILE B 38 -5.618 15.628 11.620 1.00 0.00 H new ATOM 0 HB ILE B 38 -3.700 16.428 12.776 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -2.032 17.711 11.031 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.567 18.487 10.693 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -1.988 15.423 11.234 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.502 14.486 11.256 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.146 15.570 9.890 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -2.353 19.685 12.478 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -3.862 18.987 13.114 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -2.303 18.199 13.456 1.00 0.00 H new ATOM 2061 N GLN B 39 -6.150 18.887 11.677 1.00 0.00 N ATOM 2062 CA GLN B 39 -6.977 19.871 12.366 1.00 0.00 C ATOM 2063 C GLN B 39 -8.428 19.399 12.424 1.00 0.00 C ATOM 2064 O GLN B 39 -9.053 19.464 13.484 1.00 0.00 O ATOM 2065 CB GLN B 39 -6.862 21.257 11.714 1.00 0.00 C ATOM 2066 CG GLN B 39 -5.486 21.898 11.949 1.00 0.00 C ATOM 2067 CD GLN B 39 -5.183 22.177 13.417 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -4.142 21.775 13.925 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -6.077 22.869 14.116 1.00 0.00 N ATOM 0 H GLN B 39 -5.664 19.240 10.853 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.610 19.968 13.388 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -7.041 21.168 10.642 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -7.638 21.910 12.114 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -4.715 21.241 11.547 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.430 22.833 11.392 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -6.935 23.192 13.669 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -5.905 23.077 15.100 1.00 0.00 H new ATOM 2078 N LYS B 40 -8.981 18.912 11.311 1.00 0.00 N ATOM 2079 CA LYS B 40 -10.352 18.433 11.328 1.00 0.00 C ATOM 2080 C LYS B 40 -10.485 17.221 12.259 1.00 0.00 C ATOM 2081 O LYS B 40 -11.378 17.200 13.108 1.00 0.00 O ATOM 2082 CB LYS B 40 -10.862 18.140 9.909 1.00 0.00 C ATOM 2083 CG LYS B 40 -11.667 19.274 9.247 1.00 0.00 C ATOM 2084 CD LYS B 40 -10.861 20.326 8.466 1.00 0.00 C ATOM 2085 CE LYS B 40 -10.092 21.349 9.310 1.00 0.00 C ATOM 2086 NZ LYS B 40 -10.941 21.998 10.325 1.00 0.00 N ATOM 0 H LYS B 40 -8.509 18.842 10.410 1.00 0.00 H new ATOM 0 HA LYS B 40 -10.989 19.223 11.727 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -10.006 17.907 9.275 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -11.486 17.247 9.943 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -12.391 18.826 8.567 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -12.234 19.787 10.023 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -10.149 19.806 7.824 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -11.545 20.866 7.811 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.256 20.853 9.804 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.669 22.110 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -10.445 22.825 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -11.833 22.304 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -11.145 21.323 11.090 1.00 0.00 H new ATOM 2337 N LEU B 56 -0.326 9.952 14.891 1.00 0.00 N ATOM 2338 CA LEU B 56 -0.445 9.770 13.450 1.00 0.00 C ATOM 2339 C LEU B 56 0.407 10.807 12.716 1.00 0.00 C ATOM 2340 O LEU B 56 1.226 10.451 11.871 1.00 0.00 O ATOM 2341 CB LEU B 56 -1.928 9.847 13.048 1.00 0.00 C ATOM 2342 CG LEU B 56 -2.184 9.870 11.533 1.00 0.00 C ATOM 2343 CD1 LEU B 56 -1.664 8.604 10.848 1.00 0.00 C ATOM 2344 CD2 LEU B 56 -3.688 10.011 11.277 1.00 0.00 C ATOM 0 HA LEU B 56 -0.070 8.787 13.165 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.451 8.993 13.478 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -2.364 10.743 13.490 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.646 10.719 11.113 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -1.865 8.661 9.778 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -0.590 8.517 11.011 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -2.166 7.732 11.266 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -3.874 10.028 10.203 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -4.214 9.167 11.723 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -4.047 10.939 11.722 1.00 0.00 H new ATOM 2356 N MET B 57 0.216 12.089 13.033 1.00 0.00 N ATOM 2357 CA MET B 57 0.945 13.178 12.402 1.00 0.00 C ATOM 2358 C MET B 57 2.451 12.945 12.530 1.00 0.00 C ATOM 2359 O MET B 57 3.177 13.028 11.539 1.00 0.00 O ATOM 2360 CB MET B 57 0.516 14.517 13.015 1.00 0.00 C ATOM 2361 CG MET B 57 1.058 15.697 12.200 1.00 0.00 C ATOM 2362 SD MET B 57 0.558 17.325 12.813 1.00 0.00 S ATOM 2363 CE MET B 57 1.349 18.378 11.577 1.00 0.00 C ATOM 0 H MET B 57 -0.453 12.397 13.739 1.00 0.00 H new ATOM 0 HA MET B 57 0.709 13.211 11.338 1.00 0.00 H new ATOM 0 HB2 MET B 57 -0.572 14.569 13.057 1.00 0.00 H new ATOM 0 HB3 MET B 57 0.878 14.583 14.041 1.00 0.00 H new ATOM 0 HG2 MET B 57 2.147 15.645 12.189 1.00 0.00 H new ATOM 0 HG3 MET B 57 0.724 15.593 11.168 1.00 0.00 H new ATOM 0 HE1 MET B 57 1.142 19.424 11.804 1.00 0.00 H new ATOM 0 HE2 MET B 57 2.426 18.210 11.591 1.00 0.00 H new ATOM 0 HE3 MET B 57 0.957 18.137 10.589 1.00 0.00 H new ATOM 2373 N ASP B 58 2.917 12.637 13.744 1.00 0.00 N ATOM 2374 CA ASP B 58 4.317 12.316 13.982 1.00 0.00 C ATOM 2375 C ASP B 58 4.755 11.130 13.118 1.00 0.00 C ATOM 2376 O ASP B 58 5.724 11.233 12.370 1.00 0.00 O ATOM 2377 CB ASP B 58 4.547 12.030 15.470 1.00 0.00 C ATOM 2378 CG ASP B 58 5.999 11.638 15.725 1.00 0.00 C ATOM 2379 OD1 ASP B 58 6.823 12.568 15.853 1.00 0.00 O ATOM 2380 OD2 ASP B 58 6.259 10.416 15.771 1.00 0.00 O ATOM 0 H ASP B 58 2.334 12.605 14.581 1.00 0.00 H new ATOM 0 HA ASP B 58 4.926 13.175 13.700 1.00 0.00 H new ATOM 0 HB2 ASP B 58 4.294 12.912 16.058 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.886 11.228 15.798 1.00 0.00 H new ATOM 2385 N ASP B 59 4.036 10.010 13.227 1.00 0.00 N ATOM 2386 CA ASP B 59 4.314 8.762 12.526 1.00 0.00 C ATOM 2387 C ASP B 59 4.440 8.977 11.019 1.00 0.00 C ATOM 2388 O ASP B 59 5.311 8.385 10.383 1.00 0.00 O ATOM 2389 CB ASP B 59 3.219 7.735 12.834 1.00 0.00 C ATOM 2390 CG ASP B 59 3.450 6.436 12.070 1.00 0.00 C ATOM 2391 OD1 ASP B 59 4.422 5.735 12.424 1.00 0.00 O ATOM 2392 OD2 ASP B 59 2.652 6.172 11.144 1.00 0.00 O ATOM 0 H ASP B 59 3.215 9.949 13.829 1.00 0.00 H new ATOM 0 HA ASP B 59 5.272 8.382 12.881 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.199 7.531 13.905 1.00 0.00 H new ATOM 0 HB3 ASP B 59 2.245 8.147 12.569 1.00 0.00 H new ATOM 2397 N LEU B 60 3.573 9.815 10.448 1.00 0.00 N ATOM 2398 CA LEU B 60 3.693 10.236 9.063 1.00 0.00 C ATOM 2399 C LEU B 60 4.965 11.071 8.889 1.00 0.00 C ATOM 2400 O LEU B 60 5.850 10.688 8.128 1.00 0.00 O ATOM 2401 CB LEU B 60 2.440 11.018 8.638 1.00 0.00 C ATOM 2402 CG LEU B 60 1.186 10.136 8.506 1.00 0.00 C ATOM 2403 CD1 LEU B 60 -0.048 11.038 8.386 1.00 0.00 C ATOM 2404 CD2 LEU B 60 1.250 9.220 7.276 1.00 0.00 C ATOM 0 H LEU B 60 2.772 10.216 10.936 1.00 0.00 H new ATOM 0 HA LEU B 60 3.770 9.361 8.418 1.00 0.00 H new ATOM 0 HB2 LEU B 60 2.247 11.805 9.367 1.00 0.00 H new ATOM 0 HB3 LEU B 60 2.633 11.508 7.684 1.00 0.00 H new ATOM 0 HG LEU B 60 1.128 9.505 9.393 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -0.942 10.421 8.292 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -0.130 11.663 9.276 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.049 11.672 7.505 1.00 0.00 H new ATOM 0 HD21 LEU B 60 0.344 8.616 7.224 1.00 0.00 H new ATOM 0 HD22 LEU B 60 1.334 9.827 6.374 1.00 0.00 H new ATOM 0 HD23 LEU B 60 2.118 8.565 7.355 1.00 0.00 H new ATOM 2416 N ASP B 61 5.063 12.207 9.584 1.00 0.00 N ATOM 2417 CA ASP B 61 6.150 13.169 9.424 1.00 0.00 C ATOM 2418 C ASP B 61 7.529 12.503 9.451 1.00 0.00 C ATOM 2419 O ASP B 61 8.339 12.712 8.550 1.00 0.00 O ATOM 2420 CB ASP B 61 6.050 14.250 10.505 1.00 0.00 C ATOM 2421 CG ASP B 61 7.201 15.243 10.392 1.00 0.00 C ATOM 2422 OD1 ASP B 61 7.086 16.148 9.538 1.00 0.00 O ATOM 2423 OD2 ASP B 61 8.176 15.076 11.155 1.00 0.00 O ATOM 0 H ASP B 61 4.376 12.486 10.285 1.00 0.00 H new ATOM 0 HA ASP B 61 6.043 13.627 8.441 1.00 0.00 H new ATOM 0 HB2 ASP B 61 5.100 14.776 10.411 1.00 0.00 H new ATOM 0 HB3 ASP B 61 6.061 13.786 11.491 1.00 0.00 H new ATOM 2428 N ARG B 62 7.788 11.682 10.472 1.00 0.00 N ATOM 2429 CA ARG B 62 9.073 11.013 10.663 1.00 0.00 C ATOM 2430 C ARG B 62 9.480 10.111 9.488 1.00 0.00 C ATOM 2431 O ARG B 62 10.637 9.702 9.415 1.00 0.00 O ATOM 2432 CB ARG B 62 9.115 10.285 12.014 1.00 0.00 C ATOM 2433 CG ARG B 62 7.996 9.248 12.177 1.00 0.00 C ATOM 2434 CD ARG B 62 8.500 7.811 12.315 1.00 0.00 C ATOM 2435 NE ARG B 62 9.272 7.374 11.146 1.00 0.00 N ATOM 2436 CZ ARG B 62 8.768 6.778 10.056 1.00 0.00 C ATOM 2437 NH1 ARG B 62 7.453 6.789 9.801 1.00 0.00 N ATOM 2438 NH2 ARG B 62 9.604 6.167 9.212 1.00 0.00 N ATOM 0 H ARG B 62 7.103 11.462 11.195 1.00 0.00 H new ATOM 0 HA ARG B 62 9.833 11.794 10.683 1.00 0.00 H new ATOM 0 HB2 ARG B 62 10.080 9.789 12.122 1.00 0.00 H new ATOM 0 HB3 ARG B 62 9.042 11.018 12.817 1.00 0.00 H new ATOM 0 HG2 ARG B 62 7.404 9.501 13.057 1.00 0.00 H new ATOM 0 HG3 ARG B 62 7.330 9.308 11.316 1.00 0.00 H new ATOM 0 HD2 ARG B 62 9.121 7.731 13.207 1.00 0.00 H new ATOM 0 HD3 ARG B 62 7.650 7.143 12.456 1.00 0.00 H new ATOM 0 HE ARG B 62 10.279 7.538 11.164 1.00 0.00 H new ATOM 0 HH11 ARG B 62 6.813 7.257 10.442 1.00 0.00 H new ATOM 0 HH12 ARG B 62 7.092 6.329 8.965 1.00 0.00 H new ATOM 0 HH21 ARG B 62 10.606 6.160 9.403 1.00 0.00 H new ATOM 0 HH22 ARG B 62 9.240 5.708 8.377 1.00 0.00 H new ATOM 2452 N ASN B 63 8.571 9.823 8.545 1.00 0.00 N ATOM 2453 CA ASN B 63 8.931 9.182 7.287 1.00 0.00 C ATOM 2454 C ASN B 63 10.027 9.969 6.566 1.00 0.00 C ATOM 2455 O ASN B 63 10.902 9.374 5.942 1.00 0.00 O ATOM 2456 CB ASN B 63 7.701 9.092 6.377 1.00 0.00 C ATOM 2457 CG ASN B 63 8.049 8.552 4.995 1.00 0.00 C ATOM 2458 OD1 ASN B 63 7.991 9.280 4.009 1.00 0.00 O ATOM 2459 ND2 ASN B 63 8.390 7.271 4.902 1.00 0.00 N ATOM 0 H ASN B 63 7.576 10.029 8.638 1.00 0.00 H new ATOM 0 HA ASN B 63 9.303 8.182 7.512 1.00 0.00 H new ATOM 0 HB2 ASN B 63 6.954 8.447 6.840 1.00 0.00 H new ATOM 0 HB3 ASN B 63 7.251 10.080 6.277 1.00 0.00 H new ATOM 0 HD21 ASN B 63 8.613 6.867 3.992 1.00 0.00 H new ATOM 0 HD22 ASN B 63 8.429 6.692 5.740 1.00 0.00 H new ATOM 2466 N LYS B 64 9.947 11.303 6.610 1.00 0.00 N ATOM 2467 CA LYS B 64 10.791 12.179 5.812 1.00 0.00 C ATOM 2468 C LYS B 64 10.695 13.598 6.364 1.00 0.00 C ATOM 2469 O LYS B 64 11.678 14.197 6.792 1.00 0.00 O ATOM 2470 CB LYS B 64 10.320 12.107 4.346 1.00 0.00 C ATOM 2471 CG LYS B 64 11.142 12.976 3.381 1.00 0.00 C ATOM 2472 CD LYS B 64 10.319 13.336 2.137 1.00 0.00 C ATOM 2473 CE LYS B 64 9.841 12.105 1.357 1.00 0.00 C ATOM 2474 NZ LYS B 64 8.980 12.502 0.231 1.00 0.00 N ATOM 0 H LYS B 64 9.288 11.802 7.207 1.00 0.00 H new ATOM 0 HA LYS B 64 11.835 11.869 5.857 1.00 0.00 H new ATOM 0 HB2 LYS B 64 10.364 11.070 4.012 1.00 0.00 H new ATOM 0 HB3 LYS B 64 9.276 12.415 4.295 1.00 0.00 H new ATOM 0 HG2 LYS B 64 11.462 13.887 3.887 1.00 0.00 H new ATOM 0 HG3 LYS B 64 12.045 12.443 3.084 1.00 0.00 H new ATOM 0 HD2 LYS B 64 9.454 13.926 2.439 1.00 0.00 H new ATOM 0 HD3 LYS B 64 10.920 13.965 1.480 1.00 0.00 H new ATOM 0 HE2 LYS B 64 10.701 11.548 0.985 1.00 0.00 H new ATOM 0 HE3 LYS B 64 9.293 11.438 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 8.709 11.658 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 8.125 12.968 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 9.497 13.161 -0.386 1.00 0.00 H new ATOM 2488 N ASP B 65 9.479 14.122 6.285 1.00 0.00 N ATOM 2489 CA ASP B 65 9.034 15.465 6.604 1.00 0.00 C ATOM 2490 C ASP B 65 7.516 15.418 6.395 1.00 0.00 C ATOM 2491 O ASP B 65 6.992 14.379 5.985 1.00 0.00 O ATOM 2492 CB ASP B 65 9.723 16.467 5.654 1.00 0.00 C ATOM 2493 CG ASP B 65 9.335 17.922 5.895 1.00 0.00 C ATOM 2494 OD1 ASP B 65 8.946 18.228 7.044 1.00 0.00 O ATOM 2495 OD2 ASP B 65 9.405 18.699 4.919 1.00 0.00 O ATOM 0 H ASP B 65 8.699 13.551 5.960 1.00 0.00 H new ATOM 0 HA ASP B 65 9.281 15.785 7.616 1.00 0.00 H new ATOM 0 HB2 ASP B 65 10.803 16.368 5.760 1.00 0.00 H new ATOM 0 HB3 ASP B 65 9.478 16.203 4.625 1.00 0.00 H new ATOM 2500 N GLN B 66 6.804 16.529 6.588 1.00 0.00 N ATOM 2501 CA GLN B 66 5.397 16.660 6.217 1.00 0.00 C ATOM 2502 C GLN B 66 5.254 16.776 4.687 1.00 0.00 C ATOM 2503 O GLN B 66 4.696 17.751 4.177 1.00 0.00 O ATOM 2504 CB GLN B 66 4.713 17.796 7.017 1.00 0.00 C ATOM 2505 CG GLN B 66 5.592 18.861 7.705 1.00 0.00 C ATOM 2506 CD GLN B 66 6.352 19.836 6.802 1.00 0.00 C ATOM 2507 OE1 GLN B 66 6.290 19.699 5.482 1.00 0.00 O flip ATOM 2508 NE2 GLN B 66 6.999 20.748 7.305 1.00 0.00 N flip ATOM 0 H GLN B 66 7.193 17.372 7.011 1.00 0.00 H new ATOM 0 HA GLN B 66 4.858 15.755 6.497 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.037 18.316 6.338 1.00 0.00 H new ATOM 0 HB3 GLN B 66 4.096 17.331 7.786 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.956 19.444 8.371 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.320 18.344 8.331 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.040 20.845 8.320 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.496 21.410 6.709 1.00 0.00 H new ATOM 2517 N GLU B 67 5.821 15.810 3.960 1.00 0.00 N ATOM 2518 CA GLU B 67 5.845 15.696 2.511 1.00 0.00 C ATOM 2519 C GLU B 67 5.827 14.203 2.174 1.00 0.00 C ATOM 2520 O GLU B 67 6.843 13.654 1.748 1.00 0.00 O ATOM 2521 CB GLU B 67 7.109 16.373 1.953 1.00 0.00 C ATOM 2522 CG GLU B 67 7.201 17.866 2.295 1.00 0.00 C ATOM 2523 CD GLU B 67 8.403 18.534 1.632 1.00 0.00 C ATOM 2524 OE1 GLU B 67 9.463 17.874 1.569 1.00 0.00 O ATOM 2525 OE2 GLU B 67 8.236 19.695 1.199 1.00 0.00 O ATOM 0 H GLU B 67 6.309 15.034 4.407 1.00 0.00 H new ATOM 0 HA GLU B 67 4.984 16.192 2.062 1.00 0.00 H new ATOM 0 HB2 GLU B 67 7.989 15.863 2.345 1.00 0.00 H new ATOM 0 HB3 GLU B 67 7.128 16.254 0.870 1.00 0.00 H new ATOM 0 HG2 GLU B 67 6.287 18.367 1.977 1.00 0.00 H new ATOM 0 HG3 GLU B 67 7.271 17.986 3.376 1.00 0.00 H new ATOM 2532 N VAL B 68 4.702 13.521 2.396 1.00 0.00 N ATOM 2533 CA VAL B 68 4.659 12.068 2.308 1.00 0.00 C ATOM 2534 C VAL B 68 4.248 11.725 0.880 1.00 0.00 C ATOM 2535 O VAL B 68 3.247 12.245 0.393 1.00 0.00 O ATOM 2536 CB VAL B 68 3.666 11.513 3.346 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.629 9.980 3.320 1.00 0.00 C ATOM 2538 CG2 VAL B 68 4.051 11.968 4.761 1.00 0.00 C ATOM 0 H VAL B 68 3.811 13.955 2.638 1.00 0.00 H new ATOM 0 HA VAL B 68 5.626 11.617 2.529 1.00 0.00 H new ATOM 0 HB VAL B 68 2.681 11.900 3.085 1.00 0.00 H new ATOM 0 HG11 VAL B 68 2.918 9.621 4.064 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.322 9.640 2.331 1.00 0.00 H new ATOM 0 HG13 VAL B 68 4.621 9.588 3.546 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.337 11.565 5.480 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.051 11.605 5.000 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.039 13.057 4.809 1.00 0.00 H new ATOM 2548 N ASN B 69 5.028 10.893 0.185 1.00 0.00 N ATOM 2549 CA ASN B 69 4.761 10.538 -1.208 1.00 0.00 C ATOM 2550 C ASN B 69 3.947 9.250 -1.243 1.00 0.00 C ATOM 2551 O ASN B 69 4.010 8.454 -0.310 1.00 0.00 O ATOM 2552 CB ASN B 69 6.071 10.361 -1.989 1.00 0.00 C ATOM 2553 CG ASN B 69 6.796 11.678 -2.252 1.00 0.00 C ATOM 2554 OD1 ASN B 69 6.303 12.753 -1.931 1.00 0.00 O ATOM 2555 ND2 ASN B 69 7.984 11.609 -2.844 1.00 0.00 N ATOM 0 H ASN B 69 5.860 10.448 0.573 1.00 0.00 H new ATOM 0 HA ASN B 69 4.198 11.343 -1.680 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.731 9.695 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.856 9.875 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN B 69 8.506 12.463 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN B 69 8.373 10.702 -3.102 1.00 0.00 H new ATOM 2562 N PHE B 70 3.184 9.038 -2.316 1.00 0.00 N ATOM 2563 CA PHE B 70 2.249 7.926 -2.432 1.00 0.00 C ATOM 2564 C PHE B 70 2.872 6.580 -2.032 1.00 0.00 C ATOM 2565 O PHE B 70 2.306 5.866 -1.211 1.00 0.00 O ATOM 2566 CB PHE B 70 1.662 7.903 -3.846 1.00 0.00 C ATOM 2567 CG PHE B 70 0.534 6.914 -4.054 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -0.596 6.943 -3.213 1.00 0.00 C ATOM 2569 CD2 PHE B 70 0.605 5.970 -5.096 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -1.626 6.006 -3.382 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -0.416 5.019 -5.251 1.00 0.00 C ATOM 2572 CZ PHE B 70 -1.522 5.024 -4.380 1.00 0.00 C ATOM 0 H PHE B 70 3.201 9.643 -3.137 1.00 0.00 H new ATOM 0 HA PHE B 70 1.439 8.083 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE B 70 1.299 8.902 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE B 70 2.461 7.674 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -0.669 7.689 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.444 5.977 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.498 6.040 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -0.353 4.283 -6.039 1.00 0.00 H new ATOM 0 HZ PHE B 70 -2.291 4.272 -4.480 1.00 0.00 H new ATOM 2582 N GLN B 71 4.061 6.248 -2.550 1.00 0.00 N ATOM 2583 CA GLN B 71 4.800 5.052 -2.133 1.00 0.00 C ATOM 2584 C GLN B 71 4.894 4.947 -0.603 1.00 0.00 C ATOM 2585 O GLN B 71 4.635 3.895 -0.012 1.00 0.00 O ATOM 2586 CB GLN B 71 6.205 5.061 -2.742 1.00 0.00 C ATOM 2587 CG GLN B 71 6.171 4.656 -4.221 1.00 0.00 C ATOM 2588 CD GLN B 71 7.552 4.761 -4.857 1.00 0.00 C ATOM 2589 OE1 GLN B 71 7.762 5.538 -5.780 1.00 0.00 O ATOM 2590 NE2 GLN B 71 8.511 3.983 -4.363 1.00 0.00 N ATOM 0 H GLN B 71 4.535 6.798 -3.266 1.00 0.00 H new ATOM 0 HA GLN B 71 4.252 4.182 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN B 71 6.640 6.056 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN B 71 6.848 4.376 -2.189 1.00 0.00 H new ATOM 0 HG2 GLN B 71 5.804 3.634 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN B 71 5.471 5.295 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN B 71 8.305 3.346 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN B 71 9.452 4.024 -4.754 1.00 0.00 H new ATOM 2599 N GLU B 72 5.264 6.052 0.041 1.00 0.00 N ATOM 2600 CA GLU B 72 5.399 6.113 1.483 1.00 0.00 C ATOM 2601 C GLU B 72 4.024 5.947 2.127 1.00 0.00 C ATOM 2602 O GLU B 72 3.902 5.242 3.125 1.00 0.00 O ATOM 2603 CB GLU B 72 6.078 7.425 1.902 1.00 0.00 C ATOM 2604 CG GLU B 72 7.373 7.698 1.120 1.00 0.00 C ATOM 2605 CD GLU B 72 8.355 6.535 1.206 1.00 0.00 C ATOM 2606 OE1 GLU B 72 8.827 6.273 2.334 1.00 0.00 O ATOM 2607 OE2 GLU B 72 8.602 5.922 0.144 1.00 0.00 O ATOM 0 H GLU B 72 5.478 6.931 -0.431 1.00 0.00 H new ATOM 0 HA GLU B 72 6.036 5.300 1.830 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.385 8.253 1.750 1.00 0.00 H new ATOM 0 HB3 GLU B 72 6.303 7.389 2.968 1.00 0.00 H new ATOM 0 HG2 GLU B 72 7.130 7.890 0.075 1.00 0.00 H new ATOM 0 HG3 GLU B 72 7.846 8.600 1.508 1.00 0.00 H new ATOM 2614 N TYR B 73 2.987 6.557 1.545 1.00 0.00 N ATOM 2615 CA TYR B 73 1.617 6.368 2.000 1.00 0.00 C ATOM 2616 C TYR B 73 1.225 4.885 1.987 1.00 0.00 C ATOM 2617 O TYR B 73 0.726 4.390 2.997 1.00 0.00 O ATOM 2618 CB TYR B 73 0.637 7.243 1.210 1.00 0.00 C ATOM 2619 CG TYR B 73 -0.797 7.112 1.684 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -1.197 7.719 2.889 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -1.701 6.296 0.978 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -2.489 7.497 3.393 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -2.992 6.073 1.484 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.379 6.659 2.701 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.614 6.413 3.221 1.00 0.00 O ATOM 0 H TYR B 73 3.078 7.191 0.751 1.00 0.00 H new ATOM 0 HA TYR B 73 1.560 6.698 3.037 1.00 0.00 H new ATOM 0 HB2 TYR B 73 0.945 8.285 1.290 1.00 0.00 H new ATOM 0 HB3 TYR B 73 0.690 6.975 0.155 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -0.510 8.356 3.426 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -1.401 5.841 0.046 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -2.798 7.971 4.313 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.687 5.452 0.938 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.108 5.816 2.622 1.00 0.00 H new ATOM 2635 N ILE B 74 1.453 4.149 0.890 1.00 0.00 N ATOM 2636 CA ILE B 74 1.129 2.718 0.898 1.00 0.00 C ATOM 2637 C ILE B 74 1.970 1.990 1.946 1.00 0.00 C ATOM 2638 O ILE B 74 1.452 1.139 2.663 1.00 0.00 O ATOM 2639 CB ILE B 74 1.242 1.978 -0.456 1.00 0.00 C ATOM 2640 CG1 ILE B 74 1.617 2.804 -1.685 1.00 0.00 C ATOM 2641 CG2 ILE B 74 -0.049 1.192 -0.709 1.00 0.00 C ATOM 2642 CD1 ILE B 74 0.496 3.710 -2.183 1.00 0.00 C ATOM 0 H ILE B 74 1.845 4.504 0.018 1.00 0.00 H new ATOM 0 HA ILE B 74 0.067 2.692 1.143 1.00 0.00 H new ATOM 0 HB ILE B 74 2.106 1.325 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE B 74 2.488 3.416 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE B 74 1.910 2.129 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.025 0.668 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -0.197 0.468 0.092 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -0.894 1.880 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE B 74 0.837 4.264 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -0.369 3.104 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.217 4.410 -1.396 1.00 0.00 H new ATOM 2654 N THR B 75 3.264 2.304 2.039 1.00 0.00 N ATOM 2655 CA THR B 75 4.116 1.657 3.032 1.00 0.00 C ATOM 2656 C THR B 75 3.562 1.898 4.445 1.00 0.00 C ATOM 2657 O THR B 75 3.496 0.974 5.250 1.00 0.00 O ATOM 2658 CB THR B 75 5.577 2.107 2.875 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.972 2.005 1.520 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.510 1.202 3.687 1.00 0.00 C ATOM 0 H THR B 75 3.736 2.990 1.449 1.00 0.00 H new ATOM 0 HA THR B 75 4.108 0.580 2.867 1.00 0.00 H new ATOM 0 HB THR B 75 5.645 3.137 3.226 1.00 0.00 H new ATOM 0 HG1 THR B 75 5.580 2.744 1.009 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.540 1.536 3.563 1.00 0.00 H new ATOM 0 HG22 THR B 75 6.237 1.250 4.741 1.00 0.00 H new ATOM 0 HG23 THR B 75 6.417 0.175 3.335 1.00 0.00 H new ATOM 2668 N PHE B 76 3.124 3.126 4.732 1.00 0.00 N ATOM 2669 CA PHE B 76 2.438 3.506 5.963 1.00 0.00 C ATOM 2670 C PHE B 76 1.165 2.672 6.161 1.00 0.00 C ATOM 2671 O PHE B 76 0.971 2.082 7.226 1.00 0.00 O ATOM 2672 CB PHE B 76 2.163 5.021 5.934 1.00 0.00 C ATOM 2673 CG PHE B 76 0.972 5.485 6.746 1.00 0.00 C ATOM 2674 CD1 PHE B 76 1.089 5.662 8.135 1.00 0.00 C ATOM 2675 CD2 PHE B 76 -0.269 5.695 6.112 1.00 0.00 C ATOM 2676 CE1 PHE B 76 -0.030 6.058 8.889 1.00 0.00 C ATOM 2677 CE2 PHE B 76 -1.391 6.072 6.868 1.00 0.00 C ATOM 2678 CZ PHE B 76 -1.272 6.252 8.256 1.00 0.00 C ATOM 0 H PHE B 76 3.243 3.909 4.089 1.00 0.00 H new ATOM 0 HA PHE B 76 3.071 3.294 6.825 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.051 5.540 6.295 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.015 5.326 4.898 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.038 5.494 8.623 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -0.357 5.566 5.043 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.064 6.213 9.954 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -2.344 6.223 6.383 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.135 6.540 8.838 1.00 0.00 H new ATOM 2688 N LEU B 77 0.312 2.595 5.134 1.00 0.00 N ATOM 2689 CA LEU B 77 -0.900 1.781 5.153 1.00 0.00 C ATOM 2690 C LEU B 77 -0.530 0.362 5.593 1.00 0.00 C ATOM 2691 O LEU B 77 -1.084 -0.165 6.555 1.00 0.00 O ATOM 2692 CB LEU B 77 -1.551 1.817 3.758 1.00 0.00 C ATOM 2693 CG LEU B 77 -3.008 1.333 3.678 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -3.460 1.459 2.219 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -3.200 -0.123 4.118 1.00 0.00 C ATOM 0 H LEU B 77 0.448 3.102 4.260 1.00 0.00 H new ATOM 0 HA LEU B 77 -1.630 2.170 5.863 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -1.509 2.841 3.386 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.950 1.208 3.083 1.00 0.00 H new ATOM 0 HG LEU B 77 -3.595 1.948 4.360 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -4.493 1.123 2.128 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.388 2.500 1.905 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.821 0.844 1.586 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.253 -0.393 4.034 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -2.606 -0.777 3.480 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -2.878 -0.236 5.153 1.00 0.00 H new ATOM 2707 N GLY B 78 0.450 -0.230 4.907 1.00 0.00 N ATOM 2708 CA GLY B 78 1.008 -1.527 5.240 1.00 0.00 C ATOM 2709 C GLY B 78 1.440 -1.588 6.701 1.00 0.00 C ATOM 2710 O GLY B 78 1.027 -2.490 7.418 1.00 0.00 O ATOM 0 H GLY B 78 0.882 0.195 4.087 1.00 0.00 H new ATOM 0 HA2 GLY B 78 0.269 -2.304 5.045 1.00 0.00 H new ATOM 0 HA3 GLY B 78 1.864 -1.733 4.597 1.00 0.00 H new ATOM 2714 N ALA B 79 2.263 -0.634 7.142 1.00 0.00 N ATOM 2715 CA ALA B 79 2.798 -0.576 8.496 1.00 0.00 C ATOM 2716 C ALA B 79 1.685 -0.616 9.543 1.00 0.00 C ATOM 2717 O ALA B 79 1.816 -1.316 10.543 1.00 0.00 O ATOM 2718 CB ALA B 79 3.678 0.665 8.668 1.00 0.00 C ATOM 0 H ALA B 79 2.580 0.135 6.551 1.00 0.00 H new ATOM 0 HA ALA B 79 3.416 -1.460 8.653 1.00 0.00 H new ATOM 0 HB1 ALA B 79 4.070 0.695 9.684 1.00 0.00 H new ATOM 0 HB2 ALA B 79 4.506 0.625 7.960 1.00 0.00 H new ATOM 0 HB3 ALA B 79 3.085 1.560 8.482 1.00 0.00 H new ATOM 2724 N LEU B 80 0.587 0.112 9.322 1.00 0.00 N ATOM 2725 CA LEU B 80 -0.567 -0.002 10.202 1.00 0.00 C ATOM 2726 C LEU B 80 -1.227 -1.375 10.043 1.00 0.00 C ATOM 2727 O LEU B 80 -1.313 -2.149 10.993 1.00 0.00 O ATOM 2728 CB LEU B 80 -1.580 1.122 9.942 1.00 0.00 C ATOM 2729 CG LEU B 80 -1.065 2.540 10.244 1.00 0.00 C ATOM 2730 CD1 LEU B 80 -2.238 3.513 10.082 1.00 0.00 C ATOM 2731 CD2 LEU B 80 -0.496 2.678 11.662 1.00 0.00 C ATOM 0 H LEU B 80 0.478 0.774 8.554 1.00 0.00 H new ATOM 0 HA LEU B 80 -0.218 0.099 11.230 1.00 0.00 H new ATOM 0 HB2 LEU B 80 -1.889 1.078 8.898 1.00 0.00 H new ATOM 0 HB3 LEU B 80 -2.469 0.938 10.546 1.00 0.00 H new ATOM 0 HG LEU B 80 -0.253 2.759 9.551 1.00 0.00 H new ATOM 0 HD11 LEU B 80 -1.900 4.528 10.291 1.00 0.00 H new ATOM 0 HD12 LEU B 80 -2.617 3.459 9.061 1.00 0.00 H new ATOM 0 HD13 LEU B 80 -3.032 3.245 10.779 1.00 0.00 H new ATOM 0 HD21 LEU B 80 -0.148 3.699 11.817 1.00 0.00 H new ATOM 0 HD22 LEU B 80 -1.273 2.445 12.390 1.00 0.00 H new ATOM 0 HD23 LEU B 80 0.338 1.988 11.788 1.00 0.00 H new ATOM 2743 N ALA B 81 -1.725 -1.676 8.842 1.00 0.00 N ATOM 2744 CA ALA B 81 -2.561 -2.843 8.595 1.00 0.00 C ATOM 2745 C ALA B 81 -1.893 -4.144 9.051 1.00 0.00 C ATOM 2746 O ALA B 81 -2.551 -5.013 9.626 1.00 0.00 O ATOM 2747 CB ALA B 81 -2.940 -2.891 7.115 1.00 0.00 C ATOM 0 H ALA B 81 -1.556 -1.110 8.010 1.00 0.00 H new ATOM 0 HA ALA B 81 -3.468 -2.748 9.192 1.00 0.00 H new ATOM 0 HB1 ALA B 81 -3.566 -3.764 6.928 1.00 0.00 H new ATOM 0 HB2 ALA B 81 -3.489 -1.987 6.851 1.00 0.00 H new ATOM 0 HB3 ALA B 81 -2.036 -2.956 6.510 1.00 0.00 H new ATOM 2753 N MET B 82 -0.585 -4.279 8.814 1.00 0.00 N ATOM 2754 CA MET B 82 0.166 -5.472 9.168 1.00 0.00 C ATOM 2755 C MET B 82 0.109 -5.778 10.664 1.00 0.00 C ATOM 2756 O MET B 82 0.234 -6.943 11.029 1.00 0.00 O ATOM 2757 CB MET B 82 1.596 -5.432 8.605 1.00 0.00 C ATOM 2758 CG MET B 82 2.546 -4.465 9.327 1.00 0.00 C ATOM 2759 SD MET B 82 3.206 -4.951 10.947 1.00 0.00 S ATOM 2760 CE MET B 82 4.148 -6.434 10.521 1.00 0.00 C ATOM 0 H MET B 82 -0.020 -3.556 8.368 1.00 0.00 H new ATOM 0 HA MET B 82 -0.326 -6.317 8.686 1.00 0.00 H new ATOM 0 HB2 MET B 82 2.018 -6.436 8.652 1.00 0.00 H new ATOM 0 HB3 MET B 82 1.549 -5.154 7.552 1.00 0.00 H new ATOM 0 HG2 MET B 82 3.393 -4.276 8.667 1.00 0.00 H new ATOM 0 HG3 MET B 82 2.022 -3.517 9.453 1.00 0.00 H new ATOM 0 HE1 MET B 82 4.777 -6.720 11.364 1.00 0.00 H new ATOM 0 HE2 MET B 82 3.461 -7.248 10.289 1.00 0.00 H new ATOM 0 HE3 MET B 82 4.775 -6.230 9.653 1.00 0.00 H new ATOM 2770 N ILE B 83 -0.140 -4.782 11.528 1.00 0.00 N ATOM 2771 CA ILE B 83 -0.343 -5.032 12.955 1.00 0.00 C ATOM 2772 C ILE B 83 -1.404 -6.122 13.131 1.00 0.00 C ATOM 2773 O ILE B 83 -1.287 -6.971 14.012 1.00 0.00 O ATOM 2774 CB ILE B 83 -0.725 -3.728 13.689 1.00 0.00 C ATOM 2775 CG1 ILE B 83 0.430 -2.711 13.595 1.00 0.00 C ATOM 2776 CG2 ILE B 83 -1.061 -3.999 15.165 1.00 0.00 C ATOM 2777 CD1 ILE B 83 0.028 -1.306 14.055 1.00 0.00 C ATOM 0 H ILE B 83 -0.205 -3.800 11.260 1.00 0.00 H new ATOM 0 HA ILE B 83 0.587 -5.384 13.402 1.00 0.00 H new ATOM 0 HB ILE B 83 -1.612 -3.317 13.206 1.00 0.00 H new ATOM 0 HG12 ILE B 83 1.265 -3.061 14.201 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.782 -2.663 12.565 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -1.326 -3.062 15.656 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -1.901 -4.691 15.226 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -0.194 -4.436 15.661 1.00 0.00 H new ATOM 0 HD11 ILE B 83 0.883 -0.635 13.966 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.788 -0.939 13.432 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.297 -1.343 15.095 1.00 0.00 H new ATOM 2789 N TYR B 84 -2.425 -6.108 12.270 1.00 0.00 N ATOM 2790 CA TYR B 84 -3.476 -7.110 12.248 1.00 0.00 C ATOM 2791 C TYR B 84 -3.092 -8.206 11.251 1.00 0.00 C ATOM 2792 O TYR B 84 -3.049 -9.388 11.594 1.00 0.00 O ATOM 2793 CB TYR B 84 -4.811 -6.434 11.892 1.00 0.00 C ATOM 2794 CG TYR B 84 -4.965 -5.043 12.484 1.00 0.00 C ATOM 2795 CD1 TYR B 84 -4.898 -4.869 13.879 1.00 0.00 C ATOM 2796 CD2 TYR B 84 -4.901 -3.917 11.640 1.00 0.00 C ATOM 2797 CE1 TYR B 84 -4.742 -3.582 14.424 1.00 0.00 C ATOM 2798 CE2 TYR B 84 -4.733 -2.633 12.184 1.00 0.00 C ATOM 2799 CZ TYR B 84 -4.640 -2.467 13.576 1.00 0.00 C ATOM 2800 OH TYR B 84 -4.445 -1.229 14.110 1.00 0.00 O ATOM 0 H TYR B 84 -2.540 -5.385 11.560 1.00 0.00 H new ATOM 0 HA TYR B 84 -3.596 -7.576 13.226 1.00 0.00 H new ATOM 0 HB2 TYR B 84 -4.898 -6.370 10.807 1.00 0.00 H new ATOM 0 HB3 TYR B 84 -5.631 -7.061 12.241 1.00 0.00 H new ATOM 0 HD1 TYR B 84 -4.967 -5.726 14.533 1.00 0.00 H new ATOM 0 HD2 TYR B 84 -4.981 -4.042 10.570 1.00 0.00 H new ATOM 0 HE1 TYR B 84 -4.701 -3.451 15.495 1.00 0.00 H new ATOM 0 HE2 TYR B 84 -4.675 -1.774 11.532 1.00 0.00 H new ATOM 0 HH TYR B 84 -4.395 -0.566 13.390 1.00 0.00 H new ATOM 2810 N ASN B 85 -2.799 -7.810 10.005 1.00 0.00 N ATOM 2811 CA ASN B 85 -2.633 -8.754 8.903 1.00 0.00 C ATOM 2812 C ASN B 85 -1.504 -9.756 9.144 1.00 0.00 C ATOM 2813 O ASN B 85 -1.550 -10.854 8.598 1.00 0.00 O ATOM 2814 CB ASN B 85 -2.476 -8.046 7.551 1.00 0.00 C ATOM 2815 CG ASN B 85 -2.936 -8.946 6.404 1.00 0.00 C ATOM 2816 OD1 ASN B 85 -4.026 -8.765 5.869 1.00 0.00 O ATOM 2817 ND2 ASN B 85 -2.139 -9.934 6.014 1.00 0.00 N ATOM 0 H ASN B 85 -2.672 -6.834 9.739 1.00 0.00 H new ATOM 0 HA ASN B 85 -3.558 -9.329 8.864 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -3.057 -7.124 7.550 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -1.433 -7.766 7.402 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -2.429 -10.556 5.260 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -1.236 -10.071 6.469 1.00 0.00 H new ATOM 2824 N GLU B 86 -0.511 -9.420 9.978 1.00 0.00 N ATOM 2825 CA GLU B 86 0.538 -10.344 10.395 1.00 0.00 C ATOM 2826 C GLU B 86 -0.037 -11.691 10.829 1.00 0.00 C ATOM 2827 O GLU B 86 0.571 -12.722 10.536 1.00 0.00 O ATOM 2828 CB GLU B 86 1.399 -9.707 11.497 1.00 0.00 C ATOM 2829 CG GLU B 86 2.562 -10.594 11.968 1.00 0.00 C ATOM 2830 CD GLU B 86 3.528 -10.931 10.835 1.00 0.00 C ATOM 2831 OE1 GLU B 86 4.092 -9.972 10.266 1.00 0.00 O ATOM 2832 OE2 GLU B 86 3.677 -12.139 10.551 1.00 0.00 O ATOM 0 H GLU B 86 -0.417 -8.489 10.383 1.00 0.00 H new ATOM 0 HA GLU B 86 1.180 -10.543 9.537 1.00 0.00 H new ATOM 0 HB2 GLU B 86 1.801 -8.762 11.130 1.00 0.00 H new ATOM 0 HB3 GLU B 86 0.764 -9.473 12.351 1.00 0.00 H new ATOM 0 HG2 GLU B 86 3.104 -10.086 12.766 1.00 0.00 H new ATOM 0 HG3 GLU B 86 2.164 -11.517 12.390 1.00 0.00 H new ATOM 2839 N ALA B 87 -1.212 -11.685 11.475 1.00 0.00 N ATOM 2840 CA ALA B 87 -1.940 -12.898 11.821 1.00 0.00 C ATOM 2841 C ALA B 87 -1.975 -13.878 10.644 1.00 0.00 C ATOM 2842 O ALA B 87 -1.733 -15.070 10.820 1.00 0.00 O ATOM 2843 CB ALA B 87 -3.359 -12.536 12.267 1.00 0.00 C ATOM 0 H ALA B 87 -1.681 -10.829 11.771 1.00 0.00 H new ATOM 0 HA ALA B 87 -1.422 -13.392 12.643 1.00 0.00 H new ATOM 0 HB1 ALA B 87 -3.902 -13.445 12.525 1.00 0.00 H new ATOM 0 HB2 ALA B 87 -3.311 -11.882 13.138 1.00 0.00 H new ATOM 0 HB3 ALA B 87 -3.876 -12.023 11.456 1.00 0.00 H new ATOM 2849 N LEU B 88 -2.218 -13.374 9.432 1.00 0.00 N ATOM 2850 CA LEU B 88 -2.209 -14.157 8.208 1.00 0.00 C ATOM 2851 C LEU B 88 -0.786 -14.323 7.661 1.00 0.00 C ATOM 2852 O LEU B 88 -0.562 -14.169 6.462 1.00 0.00 O ATOM 2853 CB LEU B 88 -3.137 -13.518 7.165 1.00 0.00 C ATOM 2854 CG LEU B 88 -4.571 -13.333 7.689 1.00 0.00 C ATOM 2855 CD1 LEU B 88 -4.884 -11.851 7.931 1.00 0.00 C ATOM 2856 CD2 LEU B 88 -5.563 -13.906 6.680 1.00 0.00 C ATOM 0 H LEU B 88 -2.430 -12.388 9.278 1.00 0.00 H new ATOM 0 HA LEU B 88 -2.583 -15.155 8.436 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.734 -12.550 6.869 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.158 -14.141 6.271 1.00 0.00 H new ATOM 0 HG LEU B 88 -4.659 -13.862 8.638 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -5.904 -11.750 8.301 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -4.189 -11.448 8.668 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -4.781 -11.300 6.996 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -6.579 -13.774 7.053 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -5.456 -13.386 5.728 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -5.364 -14.968 6.537 1.00 0.00 H new