USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot -40:sc= -0.147 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.197 K(o=0.05,f=-5.5!) USER MOD Set 2.1: A 35 GLN : amide:sc= -2.04! X(o=-1.7!,f=-1.7) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -122:sc= 0.336 (180deg=-0.102) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.108 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -7.74! C(o=-7.7!,f=-16!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -119:sc= 0.134 USER MOD Single : A 20 THR OG1 : rot 30:sc= 0.115 USER MOD Single : A 21 CYS SG : rot -57:sc= -1.4 USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= -0.764 (180deg=-2.42!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.38! K(o=-2.4!,f=-1.7) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.0198 (180deg=-0.223) USER MOD Single : A 41 CYS SG : rot -130:sc= -0.769 USER MOD Single : A 43 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.29) USER MOD Single : A 44 ASN : amide:sc= -4.89! C(o=-4.9!,f=-16!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.417 USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.445) USER MOD Single : A 57 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -170:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0.207 (180deg=0.186) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 80 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-3.2!) USER MOD Single : A 83 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.3!) USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= -0.104 (180deg=-0.52) USER MOD Single : A 89 SER OG : rot -30:sc= 0.753 USER MOD Single : A 92 SER OG : rot -33:sc= 0.934 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.144 -4.791 -14.573 1.00 0.00 N ATOM 2 CA GLY A 1 9.345 -3.829 -13.836 1.00 0.00 C ATOM 3 C GLY A 1 9.951 -2.440 -13.850 1.00 0.00 C ATOM 4 O GLY A 1 9.706 -1.658 -14.769 1.00 0.00 O ATOM 0 H1 GLY A 1 9.687 -5.725 -14.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.226 -4.487 -15.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.092 -4.851 -14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.343 -3.789 -14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.238 -4.165 -12.805 1.00 0.00 H new ATOM 8 N SER A 2 10.743 -2.131 -12.828 1.00 0.00 N ATOM 9 CA SER A 2 11.382 -0.824 -12.724 1.00 0.00 C ATOM 10 C SER A 2 12.788 -0.858 -13.314 1.00 0.00 C ATOM 11 O SER A 2 13.312 -1.924 -13.637 1.00 0.00 O ATOM 12 CB SER A 2 11.440 -0.377 -11.262 1.00 0.00 C ATOM 13 OG SER A 2 11.870 0.969 -11.157 1.00 0.00 O ATOM 0 H SER A 2 10.957 -2.768 -12.060 1.00 0.00 H new ATOM 0 HA SER A 2 10.786 -0.109 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.456 -0.484 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.120 -1.024 -10.707 1.00 0.00 H new ATOM 0 HG SER A 2 11.897 1.231 -10.213 1.00 0.00 H new ATOM 19 N SER A 3 13.394 0.317 -13.452 1.00 0.00 N ATOM 20 CA SER A 3 14.738 0.424 -14.006 1.00 0.00 C ATOM 21 C SER A 3 15.786 0.403 -12.898 1.00 0.00 C ATOM 22 O SER A 3 16.698 -0.423 -12.906 1.00 0.00 O ATOM 23 CB SER A 3 14.874 1.707 -14.828 1.00 0.00 C ATOM 24 OG SER A 3 16.216 1.916 -15.229 1.00 0.00 O ATOM 0 H SER A 3 12.975 1.209 -13.187 1.00 0.00 H new ATOM 0 HA SER A 3 14.905 -0.435 -14.656 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.233 1.648 -15.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.530 2.558 -14.240 1.00 0.00 H new ATOM 0 HG SER A 3 16.276 2.741 -15.754 1.00 0.00 H new ATOM 30 N GLY A 4 15.649 1.319 -11.944 1.00 0.00 N ATOM 31 CA GLY A 4 16.590 1.390 -10.842 1.00 0.00 C ATOM 32 C GLY A 4 16.934 2.817 -10.464 1.00 0.00 C ATOM 33 O GLY A 4 16.576 3.283 -9.382 1.00 0.00 O ATOM 0 H GLY A 4 14.902 2.013 -11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.169 0.879 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.503 0.859 -11.113 1.00 0.00 H new ATOM 37 N SER A 5 17.632 3.512 -11.356 1.00 0.00 N ATOM 38 CA SER A 5 18.029 4.893 -11.108 1.00 0.00 C ATOM 39 C SER A 5 16.846 5.840 -11.291 1.00 0.00 C ATOM 40 O SER A 5 16.450 6.543 -10.361 1.00 0.00 O ATOM 41 CB SER A 5 19.168 5.295 -12.046 1.00 0.00 C ATOM 42 OG SER A 5 20.395 4.718 -11.634 1.00 0.00 O ATOM 0 H SER A 5 17.934 3.142 -12.257 1.00 0.00 H new ATOM 0 HA SER A 5 18.374 4.966 -10.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.936 4.977 -13.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.261 6.381 -12.065 1.00 0.00 H new ATOM 0 HG SER A 5 21.107 4.989 -12.251 1.00 0.00 H new ATOM 48 N SER A 6 16.287 5.852 -12.496 1.00 0.00 N ATOM 49 CA SER A 6 15.152 6.715 -12.804 1.00 0.00 C ATOM 50 C SER A 6 13.835 5.969 -12.611 1.00 0.00 C ATOM 51 O SER A 6 13.822 4.784 -12.283 1.00 0.00 O ATOM 52 CB SER A 6 15.253 7.232 -14.240 1.00 0.00 C ATOM 53 OG SER A 6 15.109 6.176 -15.174 1.00 0.00 O ATOM 0 H SER A 6 16.601 5.274 -13.276 1.00 0.00 H new ATOM 0 HA SER A 6 15.174 7.562 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.483 7.983 -14.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.215 7.722 -14.386 1.00 0.00 H new ATOM 0 HG SER A 6 15.176 6.533 -16.084 1.00 0.00 H new ATOM 59 N GLY A 7 12.727 6.675 -12.817 1.00 0.00 N ATOM 60 CA GLY A 7 11.420 6.065 -12.661 1.00 0.00 C ATOM 61 C GLY A 7 10.648 6.007 -13.964 1.00 0.00 C ATOM 62 O GLY A 7 11.239 5.980 -15.043 1.00 0.00 O ATOM 0 H GLY A 7 12.712 7.658 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.538 5.056 -12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.845 6.628 -11.926 1.00 0.00 H new ATOM 66 N ASN A 8 9.322 5.986 -13.865 1.00 0.00 N ATOM 67 CA ASN A 8 8.468 5.929 -15.045 1.00 0.00 C ATOM 68 C ASN A 8 8.247 7.323 -15.625 1.00 0.00 C ATOM 69 O ASN A 8 8.279 8.319 -14.903 1.00 0.00 O ATOM 70 CB ASN A 8 7.122 5.291 -14.696 1.00 0.00 C ATOM 71 CG ASN A 8 6.133 5.363 -15.843 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.038 5.906 -15.700 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.516 4.812 -16.990 1.00 0.00 N ATOM 0 H ASN A 8 8.816 6.008 -12.979 1.00 0.00 H new ATOM 0 HA ASN A 8 8.969 5.318 -15.796 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.278 4.248 -14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.701 5.792 -13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.893 4.829 -17.797 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.433 4.372 -17.063 1.00 0.00 H new ATOM 80 N ASP A 9 8.023 7.384 -16.933 1.00 0.00 N ATOM 81 CA ASP A 9 7.796 8.655 -17.611 1.00 0.00 C ATOM 82 C ASP A 9 6.308 8.875 -17.868 1.00 0.00 C ATOM 83 O ASP A 9 5.885 9.975 -18.221 1.00 0.00 O ATOM 84 CB ASP A 9 8.566 8.699 -18.932 1.00 0.00 C ATOM 85 CG ASP A 9 10.038 9.000 -18.733 1.00 0.00 C ATOM 86 OD1 ASP A 9 10.728 8.187 -18.082 1.00 0.00 O ATOM 87 OD2 ASP A 9 10.502 10.047 -19.230 1.00 0.00 O ATOM 0 H ASP A 9 7.994 6.568 -17.545 1.00 0.00 H new ATOM 0 HA ASP A 9 8.157 9.453 -16.963 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.459 7.742 -19.444 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.127 9.458 -19.580 1.00 0.00 H new ATOM 92 N ALA A 10 5.520 7.820 -17.689 1.00 0.00 N ATOM 93 CA ALA A 10 4.080 7.898 -17.901 1.00 0.00 C ATOM 94 C ALA A 10 3.431 8.862 -16.913 1.00 0.00 C ATOM 95 O ALA A 10 3.913 9.038 -15.795 1.00 0.00 O ATOM 96 CB ALA A 10 3.453 6.516 -17.781 1.00 0.00 C ATOM 0 H ALA A 10 5.855 6.901 -17.398 1.00 0.00 H new ATOM 0 HA ALA A 10 3.906 8.278 -18.908 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.377 6.589 -17.942 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.887 5.853 -18.529 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.645 6.115 -16.786 1.00 0.00 H new ATOM 102 N VAL A 11 2.335 9.485 -17.335 1.00 0.00 N ATOM 103 CA VAL A 11 1.620 10.432 -16.488 1.00 0.00 C ATOM 104 C VAL A 11 0.861 9.712 -15.378 1.00 0.00 C ATOM 105 O VAL A 11 0.629 10.272 -14.307 1.00 0.00 O ATOM 106 CB VAL A 11 0.628 11.280 -17.306 1.00 0.00 C ATOM 107 CG1 VAL A 11 1.373 12.196 -18.265 1.00 0.00 C ATOM 108 CG2 VAL A 11 -0.343 10.384 -18.059 1.00 0.00 C ATOM 0 H VAL A 11 1.923 9.351 -18.258 1.00 0.00 H new ATOM 0 HA VAL A 11 2.369 11.089 -16.046 1.00 0.00 H new ATOM 0 HB VAL A 11 0.055 11.902 -16.618 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.656 12.787 -18.834 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.025 12.862 -17.700 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.973 11.596 -18.949 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.037 11.000 -18.632 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.212 9.735 -18.737 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.901 9.774 -17.349 1.00 0.00 H new ATOM 118 N ASP A 12 0.478 8.468 -15.642 1.00 0.00 N ATOM 119 CA ASP A 12 -0.254 7.669 -14.666 1.00 0.00 C ATOM 120 C ASP A 12 0.544 7.528 -13.373 1.00 0.00 C ATOM 121 O ASP A 12 0.016 7.089 -12.351 1.00 0.00 O ATOM 122 CB ASP A 12 -0.569 6.287 -15.239 1.00 0.00 C ATOM 123 CG ASP A 12 -1.556 5.517 -14.384 1.00 0.00 C ATOM 124 OD1 ASP A 12 -2.769 5.801 -14.477 1.00 0.00 O ATOM 125 OD2 ASP A 12 -1.116 4.632 -13.620 1.00 0.00 O ATOM 0 H ASP A 12 0.662 7.991 -16.524 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.189 8.181 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.973 6.398 -16.245 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.354 5.715 -15.328 1.00 0.00 H new ATOM 130 N PHE A 13 1.818 7.902 -13.425 1.00 0.00 N ATOM 131 CA PHE A 13 2.689 7.815 -12.259 1.00 0.00 C ATOM 132 C PHE A 13 2.289 8.842 -11.204 1.00 0.00 C ATOM 133 O PHE A 13 2.515 8.642 -10.010 1.00 0.00 O ATOM 134 CB PHE A 13 4.147 8.030 -12.668 1.00 0.00 C ATOM 135 CG PHE A 13 5.032 8.458 -11.533 1.00 0.00 C ATOM 136 CD1 PHE A 13 5.617 7.518 -10.700 1.00 0.00 C ATOM 137 CD2 PHE A 13 5.278 9.801 -11.298 1.00 0.00 C ATOM 138 CE1 PHE A 13 6.432 7.909 -9.654 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.092 10.198 -10.254 1.00 0.00 C ATOM 140 CZ PHE A 13 6.668 9.251 -9.430 1.00 0.00 C ATOM 0 H PHE A 13 2.270 8.268 -14.263 1.00 0.00 H new ATOM 0 HA PHE A 13 2.582 6.819 -11.830 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.537 7.105 -13.093 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.188 8.784 -13.454 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.434 6.467 -10.870 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.829 10.546 -11.938 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.883 7.166 -9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.278 11.248 -10.083 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.302 9.560 -8.612 1.00 0.00 H new ATOM 150 N SER A 14 1.693 9.942 -11.653 1.00 0.00 N ATOM 151 CA SER A 14 1.264 11.002 -10.748 1.00 0.00 C ATOM 152 C SER A 14 0.139 10.519 -9.839 1.00 0.00 C ATOM 153 O SER A 14 0.256 10.513 -8.613 1.00 0.00 O ATOM 154 CB SER A 14 0.803 12.225 -11.545 1.00 0.00 C ATOM 155 OG SER A 14 1.863 13.149 -11.720 1.00 0.00 O ATOM 0 H SER A 14 1.496 10.122 -12.637 1.00 0.00 H new ATOM 0 HA SER A 14 2.114 11.281 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.428 11.908 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.024 12.710 -11.027 1.00 0.00 H new ATOM 0 HG SER A 14 1.543 13.920 -12.233 1.00 0.00 H new ATOM 161 N PRO A 15 -0.980 10.105 -10.452 1.00 0.00 N ATOM 162 CA PRO A 15 -2.149 9.612 -9.718 1.00 0.00 C ATOM 163 C PRO A 15 -1.892 8.261 -9.059 1.00 0.00 C ATOM 164 O PRO A 15 -2.786 7.678 -8.444 1.00 0.00 O ATOM 165 CB PRO A 15 -3.221 9.482 -10.803 1.00 0.00 C ATOM 166 CG PRO A 15 -2.457 9.293 -12.068 1.00 0.00 C ATOM 167 CD PRO A 15 -1.189 10.085 -11.910 1.00 0.00 C ATOM 0 HA PRO A 15 -2.428 10.278 -8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.881 8.636 -10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.849 10.372 -10.848 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.239 8.239 -12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.031 9.643 -12.926 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.354 9.615 -12.429 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.291 11.092 -12.315 1.00 0.00 H new ATOM 175 N THR A 16 -0.665 7.766 -9.191 1.00 0.00 N ATOM 176 CA THR A 16 -0.291 6.484 -8.610 1.00 0.00 C ATOM 177 C THR A 16 0.961 6.614 -7.750 1.00 0.00 C ATOM 178 O THR A 16 1.874 7.373 -8.076 1.00 0.00 O ATOM 179 CB THR A 16 -0.043 5.423 -9.699 1.00 0.00 C ATOM 180 OG1 THR A 16 1.065 5.812 -10.518 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.280 5.239 -10.566 1.00 0.00 C ATOM 0 H THR A 16 0.087 8.235 -9.696 1.00 0.00 H new ATOM 0 HA THR A 16 -1.126 6.165 -7.986 1.00 0.00 H new ATOM 0 HB THR A 16 0.183 4.476 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.766 5.916 -11.445 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.081 4.485 -11.328 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.115 4.916 -9.945 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.531 6.184 -11.047 1.00 0.00 H new ATOM 189 N LEU A 17 0.999 5.869 -6.650 1.00 0.00 N ATOM 190 CA LEU A 17 2.140 5.900 -5.743 1.00 0.00 C ATOM 191 C LEU A 17 2.543 4.490 -5.326 1.00 0.00 C ATOM 192 O LEU A 17 1.704 3.625 -5.079 1.00 0.00 O ATOM 193 CB LEU A 17 1.810 6.737 -4.505 1.00 0.00 C ATOM 194 CG LEU A 17 1.228 8.120 -4.795 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.761 8.784 -3.508 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.253 8.992 -5.504 1.00 0.00 C ATOM 0 H LEU A 17 0.252 5.236 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 17 2.979 6.356 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.101 6.183 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.718 6.858 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 17 0.366 7.999 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.350 9.768 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.007 8.169 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.605 8.892 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.821 9.973 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.134 9.105 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.539 8.524 -6.446 1.00 0.00 H new ATOM 208 N PRO A 18 3.861 4.251 -5.246 1.00 0.00 N ATOM 209 CA PRO A 18 4.407 2.947 -4.859 1.00 0.00 C ATOM 210 C PRO A 18 4.160 2.629 -3.389 1.00 0.00 C ATOM 211 O PRO A 18 4.599 3.362 -2.502 1.00 0.00 O ATOM 212 CB PRO A 18 5.906 3.095 -5.131 1.00 0.00 C ATOM 213 CG PRO A 18 6.166 4.558 -5.030 1.00 0.00 C ATOM 214 CD PRO A 18 4.919 5.236 -5.527 1.00 0.00 C ATOM 0 HA PRO A 18 3.940 2.130 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.497 2.537 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.169 2.713 -6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.383 4.846 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.030 4.843 -5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.740 6.178 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.983 5.465 -6.591 1.00 0.00 H new ATOM 222 N VAL A 19 3.456 1.530 -3.135 1.00 0.00 N ATOM 223 CA VAL A 19 3.153 1.114 -1.771 1.00 0.00 C ATOM 224 C VAL A 19 3.588 -0.326 -1.526 1.00 0.00 C ATOM 225 O VAL A 19 3.556 -1.160 -2.432 1.00 0.00 O ATOM 226 CB VAL A 19 1.648 1.243 -1.467 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.212 2.698 -1.534 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.836 0.389 -2.428 1.00 0.00 C ATOM 0 H VAL A 19 3.085 0.912 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 19 3.709 1.776 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 19 1.467 0.882 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.146 2.769 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.771 3.280 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.405 3.090 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.225 0.492 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.020 0.717 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.130 -0.655 -2.324 1.00 0.00 H new ATOM 238 N THR A 20 3.996 -0.614 -0.294 1.00 0.00 N ATOM 239 CA THR A 20 4.440 -1.954 0.071 1.00 0.00 C ATOM 240 C THR A 20 4.047 -2.291 1.505 1.00 0.00 C ATOM 241 O THR A 20 4.318 -1.524 2.429 1.00 0.00 O ATOM 242 CB THR A 20 5.965 -2.101 -0.080 1.00 0.00 C ATOM 243 OG1 THR A 20 6.631 -1.047 0.625 1.00 0.00 O ATOM 244 CG2 THR A 20 6.370 -2.072 -1.546 1.00 0.00 C ATOM 0 H THR A 20 4.028 0.063 0.468 1.00 0.00 H new ATOM 0 HA THR A 20 3.947 -2.647 -0.610 1.00 0.00 H new ATOM 0 HB THR A 20 6.258 -3.062 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.090 -0.776 1.396 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.452 -2.178 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.885 -2.893 -2.074 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.064 -1.125 -1.989 1.00 0.00 H new ATOM 252 N CYS A 21 3.408 -3.442 1.683 1.00 0.00 N ATOM 253 CA CYS A 21 2.978 -3.881 3.006 1.00 0.00 C ATOM 254 C CYS A 21 3.550 -5.256 3.335 1.00 0.00 C ATOM 255 O CYS A 21 3.057 -6.276 2.854 1.00 0.00 O ATOM 256 CB CYS A 21 1.451 -3.918 3.082 1.00 0.00 C ATOM 257 SG CYS A 21 0.803 -4.284 4.730 1.00 0.00 S ATOM 0 H CYS A 21 3.176 -4.088 0.928 1.00 0.00 H new ATOM 0 HA CYS A 21 3.354 -3.167 3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.058 -2.956 2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.081 -4.668 2.383 1.00 0.00 H new ATOM 0 HG CYS A 21 1.290 -5.415 5.147 1.00 0.00 H new ATOM 263 N GLY A 22 4.594 -5.276 4.157 1.00 0.00 N ATOM 264 CA GLY A 22 5.217 -6.531 4.535 1.00 0.00 C ATOM 265 C GLY A 22 5.638 -7.354 3.333 1.00 0.00 C ATOM 266 O GLY A 22 6.587 -7.004 2.632 1.00 0.00 O ATOM 0 H GLY A 22 5.020 -4.445 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.089 -6.328 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.521 -7.110 5.142 1.00 0.00 H new ATOM 270 N LYS A 23 4.931 -8.454 3.095 1.00 0.00 N ATOM 271 CA LYS A 23 5.235 -9.331 1.971 1.00 0.00 C ATOM 272 C LYS A 23 4.357 -8.999 0.769 1.00 0.00 C ATOM 273 O LYS A 23 4.240 -9.793 -0.164 1.00 0.00 O ATOM 274 CB LYS A 23 5.038 -10.795 2.371 1.00 0.00 C ATOM 275 CG LYS A 23 5.584 -11.127 3.749 1.00 0.00 C ATOM 276 CD LYS A 23 7.103 -11.165 3.753 1.00 0.00 C ATOM 277 CE LYS A 23 7.627 -12.529 3.329 1.00 0.00 C ATOM 278 NZ LYS A 23 7.581 -12.706 1.852 1.00 0.00 N ATOM 0 H LYS A 23 4.143 -8.759 3.666 1.00 0.00 H new ATOM 0 HA LYS A 23 6.277 -9.174 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.974 -11.030 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.524 -11.433 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.236 -10.385 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.194 -12.092 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.489 -10.400 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.471 -10.926 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.653 -12.648 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.035 -13.310 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.415 -13.244 1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.718 -13.224 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.578 -11.774 1.391 1.00 0.00 H new ATOM 292 N ALA A 24 3.742 -7.821 0.798 1.00 0.00 N ATOM 293 CA ALA A 24 2.877 -7.384 -0.291 1.00 0.00 C ATOM 294 C ALA A 24 3.429 -6.130 -0.961 1.00 0.00 C ATOM 295 O ALA A 24 3.926 -5.223 -0.292 1.00 0.00 O ATOM 296 CB ALA A 24 1.467 -7.132 0.223 1.00 0.00 C ATOM 0 H ALA A 24 3.827 -7.152 1.564 1.00 0.00 H new ATOM 0 HA ALA A 24 2.844 -8.179 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.832 -6.806 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.065 -8.051 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.492 -6.358 0.990 1.00 0.00 H new ATOM 302 N LYS A 25 3.341 -6.085 -2.286 1.00 0.00 N ATOM 303 CA LYS A 25 3.831 -4.942 -3.048 1.00 0.00 C ATOM 304 C LYS A 25 2.878 -4.600 -4.188 1.00 0.00 C ATOM 305 O LYS A 25 2.462 -5.475 -4.947 1.00 0.00 O ATOM 306 CB LYS A 25 5.226 -5.235 -3.605 1.00 0.00 C ATOM 307 CG LYS A 25 6.215 -5.704 -2.552 1.00 0.00 C ATOM 308 CD LYS A 25 7.586 -5.969 -3.153 1.00 0.00 C ATOM 309 CE LYS A 25 8.304 -4.673 -3.495 1.00 0.00 C ATOM 310 NZ LYS A 25 9.311 -4.865 -4.576 1.00 0.00 N ATOM 0 H LYS A 25 2.935 -6.828 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 25 3.887 -4.086 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.146 -5.996 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.615 -4.335 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.299 -4.950 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.842 -6.613 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.188 -6.545 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.479 -6.575 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.575 -3.925 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.797 -4.285 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.778 -3.959 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.022 -5.560 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.837 -5.211 -5.435 1.00 0.00 H new ATOM 324 N GLY A 26 2.537 -3.320 -4.305 1.00 0.00 N ATOM 325 CA GLY A 26 1.637 -2.885 -5.357 1.00 0.00 C ATOM 326 C GLY A 26 1.712 -1.391 -5.603 1.00 0.00 C ATOM 327 O GLY A 26 2.781 -0.788 -5.495 1.00 0.00 O ATOM 0 H GLY A 26 2.868 -2.577 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.878 -3.414 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.615 -3.156 -5.092 1.00 0.00 H new ATOM 331 N THR A 27 0.574 -0.789 -5.936 1.00 0.00 N ATOM 332 CA THR A 27 0.516 0.642 -6.201 1.00 0.00 C ATOM 333 C THR A 27 -0.862 1.207 -5.872 1.00 0.00 C ATOM 334 O THR A 27 -1.884 0.608 -6.205 1.00 0.00 O ATOM 335 CB THR A 27 0.848 0.955 -7.672 1.00 0.00 C ATOM 336 OG1 THR A 27 2.193 0.561 -7.965 1.00 0.00 O ATOM 337 CG2 THR A 27 0.675 2.439 -7.962 1.00 0.00 C ATOM 0 H THR A 27 -0.320 -1.271 -6.028 1.00 0.00 H new ATOM 0 HA THR A 27 1.261 1.112 -5.560 1.00 0.00 H new ATOM 0 HB THR A 27 0.159 0.394 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.396 0.762 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.915 2.636 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.357 2.730 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.343 3.015 -7.321 1.00 0.00 H new ATOM 345 N LEU A 28 -0.882 2.363 -5.218 1.00 0.00 N ATOM 346 CA LEU A 28 -2.135 3.009 -4.844 1.00 0.00 C ATOM 347 C LEU A 28 -2.537 4.055 -5.879 1.00 0.00 C ATOM 348 O LEU A 28 -1.713 4.855 -6.322 1.00 0.00 O ATOM 349 CB LEU A 28 -2.005 3.660 -3.466 1.00 0.00 C ATOM 350 CG LEU A 28 -3.162 4.580 -3.073 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.249 3.796 -2.357 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.662 5.721 -2.199 1.00 0.00 C ATOM 0 H LEU A 28 -0.045 2.872 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.912 2.246 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.915 2.874 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.079 4.234 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.588 5.004 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.063 4.468 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.628 3.014 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.837 3.343 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.498 6.366 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.210 5.315 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.919 6.301 -2.747 1.00 0.00 H new ATOM 364 N PHE A 29 -3.810 4.042 -6.260 1.00 0.00 N ATOM 365 CA PHE A 29 -4.323 4.988 -7.243 1.00 0.00 C ATOM 366 C PHE A 29 -5.280 5.983 -6.593 1.00 0.00 C ATOM 367 O PHE A 29 -6.437 5.663 -6.326 1.00 0.00 O ATOM 368 CB PHE A 29 -5.035 4.244 -8.375 1.00 0.00 C ATOM 369 CG PHE A 29 -4.115 3.396 -9.206 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.376 2.379 -8.625 1.00 0.00 C ATOM 371 CD2 PHE A 29 -3.991 3.615 -10.569 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.528 1.597 -9.387 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.145 2.836 -11.336 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.414 1.825 -10.744 1.00 0.00 C ATOM 0 H PHE A 29 -4.505 3.387 -5.903 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.478 5.540 -7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.814 3.611 -7.950 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.530 4.969 -9.021 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.463 2.195 -7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.562 4.403 -11.037 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.955 0.809 -8.921 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.056 3.018 -12.397 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.754 1.214 -11.342 1.00 0.00 H new ATOM 384 N GLN A 30 -4.786 7.191 -6.341 1.00 0.00 N ATOM 385 CA GLN A 30 -5.597 8.233 -5.721 1.00 0.00 C ATOM 386 C GLN A 30 -7.006 8.246 -6.304 1.00 0.00 C ATOM 387 O GLN A 30 -7.989 8.354 -5.572 1.00 0.00 O ATOM 388 CB GLN A 30 -4.940 9.601 -5.914 1.00 0.00 C ATOM 389 CG GLN A 30 -3.421 9.559 -5.870 1.00 0.00 C ATOM 390 CD GLN A 30 -2.806 10.924 -5.630 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.706 11.742 -6.545 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.390 11.177 -4.395 1.00 0.00 N ATOM 0 H GLN A 30 -3.829 7.472 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.667 8.018 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.256 10.014 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.299 10.279 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.103 8.878 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.045 9.156 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.493 10.470 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.968 12.079 -4.174 1.00 0.00 H new ATOM 401 N GLU A 31 -7.096 8.134 -7.626 1.00 0.00 N ATOM 402 CA GLU A 31 -8.386 8.133 -8.305 1.00 0.00 C ATOM 403 C GLU A 31 -9.289 7.031 -7.759 1.00 0.00 C ATOM 404 O GLU A 31 -10.497 7.218 -7.612 1.00 0.00 O ATOM 405 CB GLU A 31 -8.193 7.950 -9.812 1.00 0.00 C ATOM 406 CG GLU A 31 -7.465 6.668 -10.181 1.00 0.00 C ATOM 407 CD GLU A 31 -7.043 6.635 -11.637 1.00 0.00 C ATOM 408 OE1 GLU A 31 -7.664 7.352 -12.450 1.00 0.00 O ATOM 409 OE2 GLU A 31 -6.093 5.893 -11.963 1.00 0.00 O ATOM 0 H GLU A 31 -6.292 8.043 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.865 9.095 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.169 7.957 -10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.635 8.800 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.584 6.560 -9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.112 5.815 -9.975 1.00 0.00 H new ATOM 416 N LYS A 32 -8.694 5.881 -7.460 1.00 0.00 N ATOM 417 CA LYS A 32 -9.441 4.748 -6.929 1.00 0.00 C ATOM 418 C LYS A 32 -9.580 4.849 -5.413 1.00 0.00 C ATOM 419 O LYS A 32 -10.414 4.174 -4.810 1.00 0.00 O ATOM 420 CB LYS A 32 -8.750 3.434 -7.302 1.00 0.00 C ATOM 421 CG LYS A 32 -9.150 2.903 -8.668 1.00 0.00 C ATOM 422 CD LYS A 32 -8.021 2.117 -9.313 1.00 0.00 C ATOM 423 CE LYS A 32 -8.267 1.907 -10.799 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.411 0.987 -11.047 1.00 0.00 N ATOM 0 H LYS A 32 -7.695 5.710 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.438 4.765 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.670 3.582 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.983 2.683 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.028 2.265 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.431 3.734 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.079 2.647 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.921 1.150 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.464 2.868 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.368 1.501 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.546 0.870 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.212 0.062 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.275 1.386 -10.627 1.00 0.00 H new ATOM 438 N LEU A 33 -8.758 5.697 -4.804 1.00 0.00 N ATOM 439 CA LEU A 33 -8.790 5.887 -3.359 1.00 0.00 C ATOM 440 C LEU A 33 -9.816 6.948 -2.972 1.00 0.00 C ATOM 441 O LEU A 33 -10.424 6.880 -1.904 1.00 0.00 O ATOM 442 CB LEU A 33 -7.405 6.290 -2.846 1.00 0.00 C ATOM 443 CG LEU A 33 -7.227 6.205 -1.330 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.251 4.756 -0.869 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.929 6.878 -0.908 1.00 0.00 C ATOM 0 H LEU A 33 -8.062 6.263 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.080 4.942 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.659 5.653 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.200 7.312 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.057 6.729 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.123 4.716 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.206 4.304 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.442 4.207 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.818 6.808 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.088 6.382 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.950 7.927 -1.204 1.00 0.00 H new ATOM 457 N LYS A 34 -10.004 7.928 -3.849 1.00 0.00 N ATOM 458 CA LYS A 34 -10.957 9.003 -3.602 1.00 0.00 C ATOM 459 C LYS A 34 -12.347 8.444 -3.316 1.00 0.00 C ATOM 460 O LYS A 34 -13.032 8.898 -2.400 1.00 0.00 O ATOM 461 CB LYS A 34 -11.014 9.948 -4.805 1.00 0.00 C ATOM 462 CG LYS A 34 -9.748 10.766 -4.996 1.00 0.00 C ATOM 463 CD LYS A 34 -9.587 11.215 -6.438 1.00 0.00 C ATOM 464 CE LYS A 34 -8.132 11.506 -6.772 1.00 0.00 C ATOM 465 NZ LYS A 34 -7.990 12.186 -8.089 1.00 0.00 N ATOM 0 H LYS A 34 -9.509 8.000 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.621 9.558 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.199 9.364 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.860 10.625 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.775 11.638 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.883 10.173 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.967 10.442 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.187 12.108 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.699 12.132 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.568 10.573 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.984 12.367 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.380 11.578 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.507 13.088 -8.071 1.00 0.00 H new ATOM 479 N GLN A 35 -12.756 7.456 -4.105 1.00 0.00 N ATOM 480 CA GLN A 35 -14.064 6.835 -3.935 1.00 0.00 C ATOM 481 C GLN A 35 -14.229 6.292 -2.519 1.00 0.00 C ATOM 482 O GLN A 35 -15.187 6.628 -1.823 1.00 0.00 O ATOM 483 CB GLN A 35 -14.253 5.707 -4.951 1.00 0.00 C ATOM 484 CG GLN A 35 -14.505 6.199 -6.367 1.00 0.00 C ATOM 485 CD GLN A 35 -13.950 5.259 -7.419 1.00 0.00 C ATOM 486 OE1 GLN A 35 -14.681 4.775 -8.283 1.00 0.00 O ATOM 487 NE2 GLN A 35 -12.650 4.996 -7.352 1.00 0.00 N ATOM 0 H GLN A 35 -12.201 7.069 -4.868 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.824 7.598 -4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.366 5.074 -4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.090 5.084 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.578 6.318 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.054 7.184 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.081 5.419 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.220 4.371 -8.034 1.00 0.00 H new ATOM 496 N GLY A 36 -13.289 5.451 -2.099 1.00 0.00 N ATOM 497 CA GLY A 36 -13.349 4.876 -0.769 1.00 0.00 C ATOM 498 C GLY A 36 -12.161 3.983 -0.468 1.00 0.00 C ATOM 499 O GLY A 36 -11.617 3.341 -1.366 1.00 0.00 O ATOM 0 H GLY A 36 -12.487 5.158 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.393 5.678 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.268 4.299 -0.667 1.00 0.00 H new ATOM 503 N ALA A 37 -11.757 3.944 0.797 1.00 0.00 N ATOM 504 CA ALA A 37 -10.627 3.124 1.213 1.00 0.00 C ATOM 505 C ALA A 37 -11.038 1.664 1.377 1.00 0.00 C ATOM 506 O ALA A 37 -10.302 0.863 1.952 1.00 0.00 O ATOM 507 CB ALA A 37 -10.036 3.657 2.510 1.00 0.00 C ATOM 0 H ALA A 37 -12.196 4.471 1.552 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.867 3.175 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.193 3.034 2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.696 4.682 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.796 3.637 3.291 1.00 0.00 H new ATOM 513 N SER A 38 -12.219 1.327 0.870 1.00 0.00 N ATOM 514 CA SER A 38 -12.731 -0.036 0.965 1.00 0.00 C ATOM 515 C SER A 38 -12.637 -0.746 -0.381 1.00 0.00 C ATOM 516 O SER A 38 -12.602 -1.975 -0.447 1.00 0.00 O ATOM 517 CB SER A 38 -14.182 -0.025 1.449 1.00 0.00 C ATOM 518 OG SER A 38 -14.523 -1.255 2.066 1.00 0.00 O ATOM 0 H SER A 38 -12.840 1.978 0.389 1.00 0.00 H new ATOM 0 HA SER A 38 -12.119 -0.579 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.327 0.792 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.848 0.160 0.606 1.00 0.00 H new ATOM 0 HG SER A 38 -15.455 -1.222 2.368 1.00 0.00 H new ATOM 524 N LYS A 39 -12.595 0.036 -1.455 1.00 0.00 N ATOM 525 CA LYS A 39 -12.504 -0.516 -2.801 1.00 0.00 C ATOM 526 C LYS A 39 -11.065 -0.894 -3.138 1.00 0.00 C ATOM 527 O LYS A 39 -10.123 -0.428 -2.496 1.00 0.00 O ATOM 528 CB LYS A 39 -13.030 0.493 -3.825 1.00 0.00 C ATOM 529 CG LYS A 39 -14.518 0.768 -3.698 1.00 0.00 C ATOM 530 CD LYS A 39 -15.145 1.077 -5.047 1.00 0.00 C ATOM 531 CE LYS A 39 -14.926 2.530 -5.444 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.038 3.047 -6.288 1.00 0.00 N ATOM 0 H LYS A 39 -12.623 1.055 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.117 -1.417 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.485 1.430 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.822 0.122 -4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.012 -0.097 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.677 1.607 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.717 0.423 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.214 0.866 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.836 3.142 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.985 2.620 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.658 3.382 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.726 2.286 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.508 3.835 -5.798 1.00 0.00 H new ATOM 546 N LYS A 40 -10.901 -1.740 -4.149 1.00 0.00 N ATOM 547 CA LYS A 40 -9.577 -2.179 -4.574 1.00 0.00 C ATOM 548 C LYS A 40 -8.828 -1.049 -5.274 1.00 0.00 C ATOM 549 O LYS A 40 -9.101 -0.736 -6.433 1.00 0.00 O ATOM 550 CB LYS A 40 -9.693 -3.385 -5.509 1.00 0.00 C ATOM 551 CG LYS A 40 -10.695 -4.425 -5.039 1.00 0.00 C ATOM 552 CD LYS A 40 -10.034 -5.489 -4.180 1.00 0.00 C ATOM 553 CE LYS A 40 -11.000 -6.616 -3.847 1.00 0.00 C ATOM 554 NZ LYS A 40 -11.367 -7.407 -5.053 1.00 0.00 N ATOM 0 H LYS A 40 -11.670 -2.136 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.015 -2.468 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.981 -3.038 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.714 -3.854 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.487 -3.937 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.166 -4.894 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.167 -5.894 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.668 -5.038 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.548 -7.274 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.902 -6.200 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.826 -8.293 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.022 -6.856 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.509 -7.625 -5.599 1.00 0.00 H new ATOM 568 N CYS A 41 -7.883 -0.443 -4.563 1.00 0.00 N ATOM 569 CA CYS A 41 -7.094 0.651 -5.117 1.00 0.00 C ATOM 570 C CYS A 41 -5.615 0.282 -5.171 1.00 0.00 C ATOM 571 O CYS A 41 -4.859 0.826 -5.976 1.00 0.00 O ATOM 572 CB CYS A 41 -7.286 1.919 -4.283 1.00 0.00 C ATOM 573 SG CYS A 41 -6.976 1.694 -2.516 1.00 0.00 S ATOM 0 H CYS A 41 -7.645 -0.691 -3.603 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.440 0.838 -6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.620 2.695 -4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.306 2.280 -4.419 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.972 2.179 -1.836 1.00 0.00 H new ATOM 579 N ILE A 42 -5.210 -0.644 -4.308 1.00 0.00 N ATOM 580 CA ILE A 42 -3.822 -1.084 -4.257 1.00 0.00 C ATOM 581 C ILE A 42 -3.574 -2.235 -5.227 1.00 0.00 C ATOM 582 O ILE A 42 -3.932 -3.380 -4.950 1.00 0.00 O ATOM 583 CB ILE A 42 -3.424 -1.530 -2.838 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.574 -0.367 -1.854 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.998 -2.058 -2.828 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.599 -0.801 -0.405 1.00 0.00 C ATOM 0 H ILE A 42 -5.824 -1.104 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.210 -0.230 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.090 -2.335 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.750 0.332 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.494 0.173 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.732 -2.369 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.921 -2.911 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.317 -1.273 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.707 0.074 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.439 -1.476 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.669 -1.315 -0.163 1.00 0.00 H new ATOM 598 N GLN A 43 -2.959 -1.923 -6.363 1.00 0.00 N ATOM 599 CA GLN A 43 -2.663 -2.932 -7.373 1.00 0.00 C ATOM 600 C GLN A 43 -1.291 -3.555 -7.134 1.00 0.00 C ATOM 601 O GLN A 43 -0.270 -2.872 -7.195 1.00 0.00 O ATOM 602 CB GLN A 43 -2.719 -2.315 -8.772 1.00 0.00 C ATOM 603 CG GLN A 43 -2.882 -3.340 -9.882 1.00 0.00 C ATOM 604 CD GLN A 43 -2.797 -2.722 -11.264 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.910 -1.914 -11.542 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.721 -3.100 -12.139 1.00 0.00 N ATOM 0 H GLN A 43 -2.656 -0.980 -6.607 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.416 -3.716 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.548 -1.609 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.806 -1.745 -8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.111 -4.104 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.844 -3.841 -9.771 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.438 -3.772 -11.866 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.714 -2.718 -13.085 1.00 0.00 H new ATOM 615 N ASN A 44 -1.277 -4.855 -6.862 1.00 0.00 N ATOM 616 CA ASN A 44 -0.031 -5.571 -6.613 1.00 0.00 C ATOM 617 C ASN A 44 0.746 -5.777 -7.909 1.00 0.00 C ATOM 618 O ASN A 44 0.259 -5.460 -8.993 1.00 0.00 O ATOM 619 CB ASN A 44 -0.317 -6.922 -5.955 1.00 0.00 C ATOM 620 CG ASN A 44 -0.895 -7.929 -6.931 1.00 0.00 C ATOM 621 OD1 ASN A 44 -0.926 -7.692 -8.139 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.359 -9.059 -6.409 1.00 0.00 N ATOM 0 H ASN A 44 -2.114 -5.435 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 44 0.577 -4.968 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.605 -7.319 -5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.013 -6.780 -5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.762 -9.773 -7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.313 -9.212 -5.402 1.00 0.00 H new ATOM 629 N GLU A 45 1.957 -6.312 -7.788 1.00 0.00 N ATOM 630 CA GLU A 45 2.801 -6.561 -8.951 1.00 0.00 C ATOM 631 C GLU A 45 2.100 -7.481 -9.946 1.00 0.00 C ATOM 632 O GLU A 45 2.370 -7.437 -11.146 1.00 0.00 O ATOM 633 CB GLU A 45 4.133 -7.179 -8.520 1.00 0.00 C ATOM 634 CG GLU A 45 3.979 -8.359 -7.575 1.00 0.00 C ATOM 635 CD GLU A 45 5.102 -9.368 -7.713 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.274 -8.981 -7.521 1.00 0.00 O ATOM 637 OE2 GLU A 45 4.809 -10.544 -8.013 1.00 0.00 O ATOM 0 H GLU A 45 2.375 -6.581 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 45 2.993 -5.605 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.677 -7.503 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.739 -6.413 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.947 -7.995 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.027 -8.852 -7.768 1.00 0.00 H new ATOM 644 N ALA A 46 1.198 -8.314 -9.438 1.00 0.00 N ATOM 645 CA ALA A 46 0.456 -9.244 -10.280 1.00 0.00 C ATOM 646 C ALA A 46 -0.649 -8.526 -11.049 1.00 0.00 C ATOM 647 O ALA A 46 -1.403 -9.148 -11.796 1.00 0.00 O ATOM 648 CB ALA A 46 -0.129 -10.368 -9.438 1.00 0.00 C ATOM 0 H ALA A 46 0.963 -8.364 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 46 1.149 -9.671 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.680 -11.055 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.677 -10.906 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.803 -9.950 -8.691 1.00 0.00 H new ATOM 654 N GLY A 47 -0.738 -7.213 -10.860 1.00 0.00 N ATOM 655 CA GLY A 47 -1.754 -6.433 -11.542 1.00 0.00 C ATOM 656 C GLY A 47 -3.092 -6.475 -10.831 1.00 0.00 C ATOM 657 O GLY A 47 -3.952 -5.624 -11.060 1.00 0.00 O ATOM 0 H GLY A 47 -0.125 -6.676 -10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.421 -5.398 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.874 -6.808 -12.558 1.00 0.00 H new ATOM 661 N ASP A 48 -3.269 -7.467 -9.966 1.00 0.00 N ATOM 662 CA ASP A 48 -4.513 -7.617 -9.218 1.00 0.00 C ATOM 663 C ASP A 48 -4.685 -6.479 -8.216 1.00 0.00 C ATOM 664 O ASP A 48 -3.728 -6.068 -7.560 1.00 0.00 O ATOM 665 CB ASP A 48 -4.537 -8.962 -8.491 1.00 0.00 C ATOM 666 CG ASP A 48 -5.942 -9.506 -8.326 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.738 -9.392 -9.281 1.00 0.00 O ATOM 668 OD2 ASP A 48 -6.245 -10.047 -7.242 1.00 0.00 O ATOM 0 H ASP A 48 -2.567 -8.180 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.341 -7.581 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.935 -9.682 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.077 -8.849 -7.509 1.00 0.00 H new ATOM 673 N TRP A 49 -5.909 -5.976 -8.106 1.00 0.00 N ATOM 674 CA TRP A 49 -6.205 -4.884 -7.185 1.00 0.00 C ATOM 675 C TRP A 49 -6.624 -5.422 -5.821 1.00 0.00 C ATOM 676 O TRP A 49 -7.340 -6.419 -5.729 1.00 0.00 O ATOM 677 CB TRP A 49 -7.309 -3.993 -7.756 1.00 0.00 C ATOM 678 CG TRP A 49 -6.938 -3.350 -9.059 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.011 -3.914 -10.300 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.436 -2.023 -9.247 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.584 -3.016 -11.249 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.227 -1.848 -10.629 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.146 -0.963 -8.383 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.739 -0.659 -11.163 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.661 0.216 -8.915 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.463 0.361 -10.294 1.00 0.00 C ATOM 0 H TRP A 49 -6.712 -6.306 -8.642 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.299 -4.292 -7.059 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.211 -4.589 -7.897 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.550 -3.216 -7.031 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.354 -4.917 -10.506 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.540 -3.191 -12.253 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.298 -1.064 -7.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.584 -0.546 -12.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.431 1.040 -8.256 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.085 1.297 -10.679 1.00 0.00 H new ATOM 697 N LEU A 50 -6.175 -4.755 -4.763 1.00 0.00 N ATOM 698 CA LEU A 50 -6.504 -5.167 -3.403 1.00 0.00 C ATOM 699 C LEU A 50 -7.017 -3.986 -2.586 1.00 0.00 C ATOM 700 O LEU A 50 -6.511 -2.869 -2.701 1.00 0.00 O ATOM 701 CB LEU A 50 -5.277 -5.779 -2.723 1.00 0.00 C ATOM 702 CG LEU A 50 -4.563 -6.863 -3.530 1.00 0.00 C ATOM 703 CD1 LEU A 50 -5.565 -7.862 -4.086 1.00 0.00 C ATOM 704 CD2 LEU A 50 -3.749 -6.240 -4.654 1.00 0.00 C ATOM 0 H LEU A 50 -5.582 -3.927 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.293 -5.917 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.566 -4.982 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.584 -6.202 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.882 -7.395 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.038 -8.626 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.105 -8.332 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.271 -7.345 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.247 -7.026 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.411 -5.683 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.005 -5.564 -4.233 1.00 0.00 H new ATOM 716 N THR A 51 -8.027 -4.239 -1.760 1.00 0.00 N ATOM 717 CA THR A 51 -8.611 -3.198 -0.924 1.00 0.00 C ATOM 718 C THR A 51 -7.665 -2.803 0.204 1.00 0.00 C ATOM 719 O THR A 51 -6.865 -3.615 0.669 1.00 0.00 O ATOM 720 CB THR A 51 -9.954 -3.650 -0.319 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.734 -4.698 0.632 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.901 -4.134 -1.406 1.00 0.00 C ATOM 0 H THR A 51 -8.458 -5.157 -1.652 1.00 0.00 H new ATOM 0 HA THR A 51 -8.784 -2.336 -1.568 1.00 0.00 H new ATOM 0 HB THR A 51 -10.409 -2.795 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.592 -4.979 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.842 -4.448 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.089 -3.325 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.452 -4.977 -1.931 1.00 0.00 H new ATOM 730 N VAL A 52 -7.762 -1.552 0.641 1.00 0.00 N ATOM 731 CA VAL A 52 -6.915 -1.050 1.717 1.00 0.00 C ATOM 732 C VAL A 52 -6.677 -2.122 2.774 1.00 0.00 C ATOM 733 O VAL A 52 -5.650 -2.123 3.454 1.00 0.00 O ATOM 734 CB VAL A 52 -7.537 0.189 2.389 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.671 0.659 3.548 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.735 1.303 1.373 1.00 0.00 C ATOM 0 H VAL A 52 -8.419 -0.867 0.267 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.963 -0.770 1.266 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.514 -0.086 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.126 1.535 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.587 -0.139 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.679 0.918 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.175 2.170 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.772 1.579 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.400 0.959 0.581 1.00 0.00 H new ATOM 746 N LYS A 53 -7.632 -3.036 2.908 1.00 0.00 N ATOM 747 CA LYS A 53 -7.526 -4.117 3.881 1.00 0.00 C ATOM 748 C LYS A 53 -6.818 -5.326 3.277 1.00 0.00 C ATOM 749 O LYS A 53 -5.826 -5.810 3.821 1.00 0.00 O ATOM 750 CB LYS A 53 -8.916 -4.522 4.376 1.00 0.00 C ATOM 751 CG LYS A 53 -8.890 -5.590 5.457 1.00 0.00 C ATOM 752 CD LYS A 53 -10.291 -6.062 5.809 1.00 0.00 C ATOM 753 CE LYS A 53 -10.702 -7.261 4.969 1.00 0.00 C ATOM 754 NZ LYS A 53 -11.432 -6.851 3.737 1.00 0.00 N ATOM 0 H LYS A 53 -8.489 -3.050 2.355 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.936 -3.757 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.427 -3.639 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.501 -4.886 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.294 -6.437 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.404 -5.195 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.333 -6.325 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.000 -5.248 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.816 -7.832 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.334 -7.921 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.358 -7.323 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.569 -5.820 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.879 -7.123 2.899 1.00 0.00 H new ATOM 768 N GLU A 54 -7.333 -5.806 2.150 1.00 0.00 N ATOM 769 CA GLU A 54 -6.748 -6.957 1.473 1.00 0.00 C ATOM 770 C GLU A 54 -5.234 -6.807 1.354 1.00 0.00 C ATOM 771 O GLU A 54 -4.476 -7.625 1.875 1.00 0.00 O ATOM 772 CB GLU A 54 -7.365 -7.128 0.083 1.00 0.00 C ATOM 773 CG GLU A 54 -8.665 -7.915 0.086 1.00 0.00 C ATOM 774 CD GLU A 54 -8.444 -9.405 -0.086 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.161 -9.836 -1.223 1.00 0.00 O ATOM 776 OE2 GLU A 54 -8.555 -10.141 0.917 1.00 0.00 O ATOM 0 H GLU A 54 -8.154 -5.416 1.687 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.962 -7.844 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.547 -6.143 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.647 -7.631 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.192 -7.735 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.307 -7.552 -0.716 1.00 0.00 H new ATOM 783 N PHE A 55 -4.802 -5.757 0.665 1.00 0.00 N ATOM 784 CA PHE A 55 -3.379 -5.500 0.476 1.00 0.00 C ATOM 785 C PHE A 55 -2.587 -5.878 1.724 1.00 0.00 C ATOM 786 O PHE A 55 -1.522 -6.489 1.636 1.00 0.00 O ATOM 787 CB PHE A 55 -3.146 -4.026 0.138 1.00 0.00 C ATOM 788 CG PHE A 55 -1.727 -3.716 -0.247 1.00 0.00 C ATOM 789 CD1 PHE A 55 -1.111 -4.401 -1.281 1.00 0.00 C ATOM 790 CD2 PHE A 55 -1.011 -2.740 0.426 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.194 -4.118 -1.638 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.294 -2.452 0.073 1.00 0.00 C ATOM 793 CZ PHE A 55 0.898 -3.143 -0.959 1.00 0.00 C ATOM 0 H PHE A 55 -5.416 -5.070 0.228 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.032 -6.116 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.807 -3.740 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.422 -3.416 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.657 -5.165 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.477 -2.198 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.663 -4.659 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.841 -1.687 0.604 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.919 -2.921 -1.234 1.00 0.00 H new ATOM 803 N LEU A 56 -3.115 -5.511 2.886 1.00 0.00 N ATOM 804 CA LEU A 56 -2.459 -5.811 4.154 1.00 0.00 C ATOM 805 C LEU A 56 -2.368 -7.317 4.376 1.00 0.00 C ATOM 806 O LEU A 56 -1.301 -7.845 4.687 1.00 0.00 O ATOM 807 CB LEU A 56 -3.217 -5.157 5.311 1.00 0.00 C ATOM 808 CG LEU A 56 -3.742 -3.749 5.028 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.400 -3.164 6.268 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.615 -2.848 4.546 1.00 0.00 C ATOM 0 H LEU A 56 -3.996 -5.005 2.977 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.448 -5.406 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.059 -5.795 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.559 -5.115 6.179 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.493 -3.814 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.767 -2.162 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.234 -3.797 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.671 -3.113 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.006 -1.850 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.842 -2.790 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.188 -3.257 3.630 1.00 0.00 H new ATOM 822 N ASN A 57 -3.495 -8.002 4.215 1.00 0.00 N ATOM 823 CA ASN A 57 -3.543 -9.448 4.399 1.00 0.00 C ATOM 824 C ASN A 57 -2.463 -10.138 3.571 1.00 0.00 C ATOM 825 O ASN A 57 -1.871 -11.125 4.006 1.00 0.00 O ATOM 826 CB ASN A 57 -4.921 -9.987 4.010 1.00 0.00 C ATOM 827 CG ASN A 57 -5.889 -9.997 5.178 1.00 0.00 C ATOM 828 OD1 ASN A 57 -5.953 -10.965 5.936 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.647 -8.918 5.327 1.00 0.00 N ATOM 0 H ASN A 57 -4.387 -7.580 3.958 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.360 -9.661 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.333 -9.377 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.815 -11.000 3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.317 -8.867 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.560 -8.139 4.674 1.00 0.00 H new ATOM 836 N GLU A 58 -2.212 -9.610 2.377 1.00 0.00 N ATOM 837 CA GLU A 58 -1.204 -10.176 1.489 1.00 0.00 C ATOM 838 C GLU A 58 0.154 -10.244 2.182 1.00 0.00 C ATOM 839 O GLU A 58 0.906 -11.202 2.005 1.00 0.00 O ATOM 840 CB GLU A 58 -1.094 -9.344 0.209 1.00 0.00 C ATOM 841 CG GLU A 58 -2.018 -9.814 -0.902 1.00 0.00 C ATOM 842 CD GLU A 58 -1.528 -9.408 -2.278 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.298 -9.412 -2.496 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.374 -9.085 -3.138 1.00 0.00 O ATOM 0 H GLU A 58 -2.693 -8.792 2.003 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.512 -11.189 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.319 -8.303 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.065 -9.376 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.110 -10.899 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.014 -9.403 -0.739 1.00 0.00 H new ATOM 851 N GLY A 59 0.461 -9.220 2.972 1.00 0.00 N ATOM 852 CA GLY A 59 1.728 -9.182 3.679 1.00 0.00 C ATOM 853 C GLY A 59 1.655 -9.854 5.036 1.00 0.00 C ATOM 854 O GLY A 59 2.611 -10.494 5.471 1.00 0.00 O ATOM 0 H GLY A 59 -0.145 -8.416 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.492 -9.671 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.038 -8.145 3.807 1.00 0.00 H new ATOM 858 N GLY A 60 0.517 -9.707 5.707 1.00 0.00 N ATOM 859 CA GLY A 60 0.345 -10.309 7.016 1.00 0.00 C ATOM 860 C GLY A 60 0.131 -9.277 8.106 1.00 0.00 C ATOM 861 O GLY A 60 0.542 -9.476 9.249 1.00 0.00 O ATOM 0 H GLY A 60 -0.289 -9.182 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.507 -10.988 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.223 -10.908 7.255 1.00 0.00 H new ATOM 865 N ARG A 61 -0.512 -8.169 7.751 1.00 0.00 N ATOM 866 CA ARG A 61 -0.777 -7.100 8.706 1.00 0.00 C ATOM 867 C ARG A 61 -2.277 -6.889 8.884 1.00 0.00 C ATOM 868 O ARG A 61 -2.714 -5.851 9.380 1.00 0.00 O ATOM 869 CB ARG A 61 -0.119 -5.799 8.244 1.00 0.00 C ATOM 870 CG ARG A 61 1.373 -5.737 8.525 1.00 0.00 C ATOM 871 CD ARG A 61 1.658 -5.135 9.891 1.00 0.00 C ATOM 872 NE ARG A 61 1.732 -6.155 10.934 1.00 0.00 N ATOM 873 CZ ARG A 61 2.400 -5.996 12.072 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.047 -4.863 12.312 1.00 0.00 N ATOM 875 NH2 ARG A 61 2.420 -6.970 12.972 1.00 0.00 N ATOM 0 H ARG A 61 -0.859 -7.989 6.809 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.353 -7.392 9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.284 -5.679 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.608 -4.959 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.796 -6.740 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.865 -5.143 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.598 -4.584 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.877 -4.417 10.141 1.00 0.00 H new ATOM 0 HE ARG A 61 1.244 -7.038 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.032 -4.112 11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.559 -4.743 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.923 -7.842 12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.933 -6.847 13.845 1.00 0.00 H new ATOM 889 N ALA A 62 -3.062 -7.881 8.474 1.00 0.00 N ATOM 890 CA ALA A 62 -4.513 -7.804 8.590 1.00 0.00 C ATOM 891 C ALA A 62 -4.930 -7.367 9.990 1.00 0.00 C ATOM 892 O ALA A 62 -5.860 -6.576 10.153 1.00 0.00 O ATOM 893 CB ALA A 62 -5.141 -9.146 8.245 1.00 0.00 C ATOM 0 H ALA A 62 -2.717 -8.747 8.059 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.870 -7.055 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.225 -9.075 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.880 -9.418 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.769 -9.908 8.929 1.00 0.00 H new ATOM 899 N THR A 63 -4.238 -7.887 10.998 1.00 0.00 N ATOM 900 CA THR A 63 -4.538 -7.552 12.384 1.00 0.00 C ATOM 901 C THR A 63 -4.479 -6.045 12.611 1.00 0.00 C ATOM 902 O THR A 63 -5.383 -5.462 13.210 1.00 0.00 O ATOM 903 CB THR A 63 -3.561 -8.243 13.354 1.00 0.00 C ATOM 904 OG1 THR A 63 -2.210 -7.994 12.949 1.00 0.00 O ATOM 905 CG2 THR A 63 -3.814 -9.743 13.398 1.00 0.00 C ATOM 0 H THR A 63 -3.465 -8.542 10.880 1.00 0.00 H new ATOM 0 HA THR A 63 -5.549 -7.908 12.583 1.00 0.00 H new ATOM 0 HB THR A 63 -3.722 -7.833 14.351 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.595 -8.435 13.572 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.113 -10.210 14.089 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.834 -9.930 13.734 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.677 -10.164 12.402 1.00 0.00 H new ATOM 913 N SER A 64 -3.410 -5.420 12.128 1.00 0.00 N ATOM 914 CA SER A 64 -3.233 -3.981 12.280 1.00 0.00 C ATOM 915 C SER A 64 -4.444 -3.224 11.744 1.00 0.00 C ATOM 916 O SER A 64 -5.055 -3.627 10.754 1.00 0.00 O ATOM 917 CB SER A 64 -1.968 -3.522 11.553 1.00 0.00 C ATOM 918 OG SER A 64 -0.811 -3.779 12.330 1.00 0.00 O ATOM 0 H SER A 64 -2.654 -5.888 11.628 1.00 0.00 H new ATOM 0 HA SER A 64 -3.132 -3.763 13.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.888 -4.036 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.035 -2.456 11.337 1.00 0.00 H new ATOM 0 HG SER A 64 -0.037 -3.339 11.920 1.00 0.00 H new ATOM 924 N LYS A 65 -4.787 -2.124 12.406 1.00 0.00 N ATOM 925 CA LYS A 65 -5.924 -1.308 11.997 1.00 0.00 C ATOM 926 C LYS A 65 -5.501 -0.259 10.973 1.00 0.00 C ATOM 927 O LYS A 65 -5.887 -0.327 9.806 1.00 0.00 O ATOM 928 CB LYS A 65 -6.550 -0.624 13.215 1.00 0.00 C ATOM 929 CG LYS A 65 -7.225 -1.588 14.174 1.00 0.00 C ATOM 930 CD LYS A 65 -8.586 -2.027 13.658 1.00 0.00 C ATOM 931 CE LYS A 65 -8.957 -3.409 14.173 1.00 0.00 C ATOM 932 NZ LYS A 65 -8.229 -4.486 13.446 1.00 0.00 N ATOM 0 H LYS A 65 -4.293 -1.777 13.228 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.663 -1.963 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.776 -0.075 13.750 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.282 0.108 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.591 -2.462 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.340 -1.113 15.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.343 -1.307 13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.578 -2.033 12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.731 -3.473 15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.031 -3.560 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.606 -5.413 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.355 -4.360 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.216 -4.439 13.679 1.00 0.00 H new ATOM 946 N ASP A 66 -4.706 0.708 11.417 1.00 0.00 N ATOM 947 CA ASP A 66 -4.229 1.769 10.538 1.00 0.00 C ATOM 948 C ASP A 66 -3.464 1.190 9.353 1.00 0.00 C ATOM 949 O ASP A 66 -2.373 0.642 9.513 1.00 0.00 O ATOM 950 CB ASP A 66 -3.335 2.739 11.313 1.00 0.00 C ATOM 951 CG ASP A 66 -3.880 3.052 12.693 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.102 3.280 12.810 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.084 3.068 13.655 1.00 0.00 O ATOM 0 H ASP A 66 -4.378 0.779 12.380 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.096 2.310 10.159 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.337 2.312 11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.233 3.665 10.747 1.00 0.00 H new ATOM 958 N TRP A 67 -4.043 1.315 8.164 1.00 0.00 N ATOM 959 CA TRP A 67 -3.416 0.802 6.951 1.00 0.00 C ATOM 960 C TRP A 67 -2.280 1.714 6.498 1.00 0.00 C ATOM 961 O TRP A 67 -1.290 1.253 5.931 1.00 0.00 O ATOM 962 CB TRP A 67 -4.453 0.666 5.835 1.00 0.00 C ATOM 963 CG TRP A 67 -5.204 1.934 5.564 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.274 2.417 6.262 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.944 2.878 4.520 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.694 3.606 5.714 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.894 3.911 4.645 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.999 2.954 3.493 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.926 5.002 3.781 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.032 4.037 2.636 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.989 5.050 2.784 1.00 0.00 C ATOM 0 H TRP A 67 -4.945 1.767 8.014 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.001 -0.181 7.174 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.953 0.346 4.921 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.162 -0.118 6.101 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.724 1.936 7.118 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.475 4.170 6.049 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.256 2.180 3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.664 5.783 3.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.308 4.104 1.838 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.987 5.885 2.098 1.00 0.00 H new ATOM 982 N LYS A 68 -2.430 3.009 6.753 1.00 0.00 N ATOM 983 CA LYS A 68 -1.417 3.986 6.373 1.00 0.00 C ATOM 984 C LYS A 68 -0.121 3.754 7.144 1.00 0.00 C ATOM 985 O LYS A 68 0.953 4.169 6.711 1.00 0.00 O ATOM 986 CB LYS A 68 -1.927 5.406 6.628 1.00 0.00 C ATOM 987 CG LYS A 68 -3.034 5.835 5.680 1.00 0.00 C ATOM 988 CD LYS A 68 -3.543 7.228 6.010 1.00 0.00 C ATOM 989 CE LYS A 68 -4.834 7.539 5.269 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.460 8.802 5.751 1.00 0.00 N ATOM 0 H LYS A 68 -3.244 3.407 7.222 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.213 3.865 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.292 5.473 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.094 6.103 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.664 5.815 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.858 5.123 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.710 7.311 7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.785 7.965 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.630 7.619 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.535 6.714 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.337 8.979 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.679 8.717 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.802 9.594 5.604 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.230 3.086 8.288 1.00 0.00 N ATOM 1005 CA GLY A 69 0.940 2.809 9.100 1.00 0.00 C ATOM 1006 C GLY A 69 1.692 1.579 8.633 1.00 0.00 C ATOM 1007 O GLY A 69 2.916 1.602 8.503 1.00 0.00 O ATOM 0 H GLY A 69 -1.108 2.732 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.608 3.670 9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.634 2.672 10.137 1.00 0.00 H new ATOM 1011 N VAL A 70 0.958 0.499 8.381 1.00 0.00 N ATOM 1012 CA VAL A 70 1.563 -0.747 7.926 1.00 0.00 C ATOM 1013 C VAL A 70 2.101 -0.611 6.507 1.00 0.00 C ATOM 1014 O VAL A 70 3.088 -1.251 6.142 1.00 0.00 O ATOM 1015 CB VAL A 70 0.554 -1.910 7.972 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.124 -2.188 9.404 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.651 -1.604 7.095 1.00 0.00 C ATOM 0 H VAL A 70 -0.056 0.462 8.484 1.00 0.00 H new ATOM 0 HA VAL A 70 2.388 -0.964 8.604 1.00 0.00 H new ATOM 0 HB VAL A 70 1.040 -2.805 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.589 -3.013 9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.997 -2.454 10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.344 -1.297 9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.354 -2.436 7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.139 -0.697 7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.324 -1.459 6.065 1.00 0.00 H new ATOM 1027 N ILE A 71 1.446 0.227 5.710 1.00 0.00 N ATOM 1028 CA ILE A 71 1.860 0.448 4.330 1.00 0.00 C ATOM 1029 C ILE A 71 2.912 1.549 4.241 1.00 0.00 C ATOM 1030 O ILE A 71 2.737 2.635 4.794 1.00 0.00 O ATOM 1031 CB ILE A 71 0.663 0.824 3.436 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.357 -0.316 3.407 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.136 1.155 2.029 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.712 0.100 2.879 1.00 0.00 C ATOM 0 H ILE A 71 0.627 0.764 5.996 1.00 0.00 H new ATOM 0 HA ILE A 71 2.288 -0.490 3.975 1.00 0.00 H new ATOM 0 HB ILE A 71 0.180 1.708 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.032 -1.125 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.475 -0.713 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.279 1.419 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.829 1.996 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.640 0.288 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.385 -0.758 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.122 0.888 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.607 0.470 1.859 1.00 0.00 H new ATOM 1046 N ARG A 72 4.004 1.261 3.540 1.00 0.00 N ATOM 1047 CA ARG A 72 5.084 2.227 3.378 1.00 0.00 C ATOM 1048 C ARG A 72 5.279 2.583 1.908 1.00 0.00 C ATOM 1049 O ARG A 72 5.225 1.715 1.036 1.00 0.00 O ATOM 1050 CB ARG A 72 6.387 1.668 3.955 1.00 0.00 C ATOM 1051 CG ARG A 72 6.268 1.217 5.401 1.00 0.00 C ATOM 1052 CD ARG A 72 7.606 0.746 5.949 1.00 0.00 C ATOM 1053 NE ARG A 72 7.937 -0.604 5.501 1.00 0.00 N ATOM 1054 CZ ARG A 72 9.062 -1.232 5.827 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.958 -0.634 6.600 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.291 -2.460 5.380 1.00 0.00 N ATOM 0 H ARG A 72 4.164 0.367 3.076 1.00 0.00 H new ATOM 0 HA ARG A 72 4.812 3.133 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.712 0.825 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.163 2.430 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.893 2.039 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.539 0.409 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.390 1.435 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.580 0.770 7.038 1.00 0.00 H new ATOM 0 HE ARG A 72 7.268 -1.092 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.785 0.310 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.821 -1.118 6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.603 -2.923 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.155 -2.941 5.631 1.00 0.00 H new ATOM 1070 N CYS A 73 5.504 3.865 1.640 1.00 0.00 N ATOM 1071 CA CYS A 73 5.704 4.337 0.275 1.00 0.00 C ATOM 1072 C CYS A 73 7.055 5.031 0.133 1.00 0.00 C ATOM 1073 O CYS A 73 7.249 6.140 0.628 1.00 0.00 O ATOM 1074 CB CYS A 73 4.581 5.294 -0.127 1.00 0.00 C ATOM 1075 SG CYS A 73 4.846 6.120 -1.713 1.00 0.00 S ATOM 0 H CYS A 73 5.552 4.596 2.350 1.00 0.00 H new ATOM 0 HA CYS A 73 5.688 3.472 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.644 4.739 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.468 6.050 0.650 1.00 0.00 H new ATOM 0 HG CYS A 73 6.096 6.461 -1.821 1.00 0.00 H new ATOM 1081 N ASN A 74 7.986 4.369 -0.546 1.00 0.00 N ATOM 1082 CA ASN A 74 9.320 4.921 -0.752 1.00 0.00 C ATOM 1083 C ASN A 74 10.071 5.035 0.571 1.00 0.00 C ATOM 1084 O ASN A 74 10.888 5.936 0.758 1.00 0.00 O ATOM 1085 CB ASN A 74 9.229 6.295 -1.419 1.00 0.00 C ATOM 1086 CG ASN A 74 8.450 6.255 -2.720 1.00 0.00 C ATOM 1087 OD1 ASN A 74 7.364 6.826 -2.824 1.00 0.00 O ATOM 1088 ND2 ASN A 74 9.003 5.578 -3.720 1.00 0.00 N ATOM 0 H ASN A 74 7.841 3.449 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 74 9.870 4.243 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.753 6.997 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.234 6.670 -1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.526 5.516 -4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.905 5.120 -3.589 1.00 0.00 H new ATOM 1095 N GLY A 75 9.789 4.114 1.487 1.00 0.00 N ATOM 1096 CA GLY A 75 10.447 4.128 2.781 1.00 0.00 C ATOM 1097 C GLY A 75 9.731 5.009 3.786 1.00 0.00 C ATOM 1098 O GLY A 75 10.087 5.034 4.963 1.00 0.00 O ATOM 0 H GLY A 75 9.117 3.358 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.502 3.111 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.472 4.479 2.660 1.00 0.00 H new ATOM 1102 N GLU A 76 8.720 5.735 3.319 1.00 0.00 N ATOM 1103 CA GLU A 76 7.954 6.624 4.185 1.00 0.00 C ATOM 1104 C GLU A 76 6.482 6.223 4.212 1.00 0.00 C ATOM 1105 O GLU A 76 5.842 6.093 3.168 1.00 0.00 O ATOM 1106 CB GLU A 76 8.091 8.073 3.715 1.00 0.00 C ATOM 1107 CG GLU A 76 9.447 8.687 4.018 1.00 0.00 C ATOM 1108 CD GLU A 76 10.452 8.460 2.904 1.00 0.00 C ATOM 1109 OE1 GLU A 76 11.020 7.351 2.834 1.00 0.00 O ATOM 1110 OE2 GLU A 76 10.668 9.393 2.103 1.00 0.00 O ATOM 0 H GLU A 76 8.412 5.725 2.347 1.00 0.00 H new ATOM 0 HA GLU A 76 8.354 6.538 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.915 8.115 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.315 8.674 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.328 9.758 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.835 8.263 4.944 1.00 0.00 H new ATOM 1117 N THR A 77 5.950 6.026 5.415 1.00 0.00 N ATOM 1118 CA THR A 77 4.555 5.638 5.579 1.00 0.00 C ATOM 1119 C THR A 77 3.620 6.670 4.959 1.00 0.00 C ATOM 1120 O THR A 77 3.930 7.861 4.924 1.00 0.00 O ATOM 1121 CB THR A 77 4.192 5.462 7.066 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.378 6.698 7.765 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.046 4.378 7.706 1.00 0.00 C ATOM 0 H THR A 77 6.465 6.129 6.290 1.00 0.00 H new ATOM 0 HA THR A 77 4.430 4.684 5.066 1.00 0.00 H new ATOM 0 HB THR A 77 3.146 5.163 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.144 6.578 8.709 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.772 4.271 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.880 3.432 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.098 4.653 7.632 1.00 0.00 H new ATOM 1131 N LEU A 78 2.475 6.207 4.470 1.00 0.00 N ATOM 1132 CA LEU A 78 1.494 7.091 3.851 1.00 0.00 C ATOM 1133 C LEU A 78 1.193 8.285 4.751 1.00 0.00 C ATOM 1134 O LEU A 78 1.170 9.428 4.295 1.00 0.00 O ATOM 1135 CB LEU A 78 0.204 6.324 3.552 1.00 0.00 C ATOM 1136 CG LEU A 78 0.361 5.138 2.601 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.958 4.397 2.446 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.873 5.606 1.247 1.00 0.00 C ATOM 0 H LEU A 78 2.203 5.224 4.490 1.00 0.00 H new ATOM 0 HA LEU A 78 1.914 7.461 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.212 5.963 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.522 7.017 3.127 1.00 0.00 H new ATOM 0 HG LEU A 78 1.091 4.450 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.825 3.556 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.285 4.028 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.711 5.075 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.979 4.749 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.166 6.315 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.841 6.090 1.372 1.00 0.00 H new ATOM 1150 N ARG A 79 0.964 8.011 6.031 1.00 0.00 N ATOM 1151 CA ARG A 79 0.663 9.062 6.995 1.00 0.00 C ATOM 1152 C ARG A 79 1.778 10.103 7.030 1.00 0.00 C ATOM 1153 O ARG A 79 1.519 11.304 7.105 1.00 0.00 O ATOM 1154 CB ARG A 79 0.465 8.463 8.389 1.00 0.00 C ATOM 1155 CG ARG A 79 0.445 9.500 9.500 1.00 0.00 C ATOM 1156 CD ARG A 79 -0.783 10.393 9.407 1.00 0.00 C ATOM 1157 NE ARG A 79 -1.934 9.813 10.092 1.00 0.00 N ATOM 1158 CZ ARG A 79 -3.135 10.381 10.121 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -3.340 11.537 9.505 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -4.134 9.791 10.765 1.00 0.00 N ATOM 0 H ARG A 79 0.981 7.070 6.424 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.259 9.553 6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.472 7.906 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.264 7.748 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.459 8.998 10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.346 10.111 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.556 11.367 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.031 10.560 8.359 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.810 8.923 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.575 11.992 9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.263 11.971 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.980 8.901 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.055 10.228 10.787 1.00 0.00 H new ATOM 1174 N HIS A 80 3.021 9.633 6.978 1.00 0.00 N ATOM 1175 CA HIS A 80 4.176 10.523 7.004 1.00 0.00 C ATOM 1176 C HIS A 80 4.146 11.487 5.821 1.00 0.00 C ATOM 1177 O HIS A 80 4.399 12.681 5.975 1.00 0.00 O ATOM 1178 CB HIS A 80 5.472 9.711 6.982 1.00 0.00 C ATOM 1179 CG HIS A 80 6.694 10.526 7.277 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.341 10.499 8.494 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.387 11.393 6.503 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.379 11.315 8.457 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.430 11.870 7.259 1.00 0.00 N ATOM 0 H HIS A 80 3.253 8.642 6.918 1.00 0.00 H new ATOM 0 HA HIS A 80 4.135 11.104 7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.398 8.904 7.711 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.583 9.246 6.003 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.162 11.660 5.481 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.069 11.497 9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.130 12.543 6.946 1.00 0.00 H new ATOM 1192 N LEU A 81 3.837 10.959 4.642 1.00 0.00 N ATOM 1193 CA LEU A 81 3.775 11.772 3.433 1.00 0.00 C ATOM 1194 C LEU A 81 2.693 12.840 3.550 1.00 0.00 C ATOM 1195 O LEU A 81 2.912 14.001 3.206 1.00 0.00 O ATOM 1196 CB LEU A 81 3.507 10.889 2.212 1.00 0.00 C ATOM 1197 CG LEU A 81 4.604 9.873 1.895 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.166 8.946 0.772 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.898 10.584 1.526 1.00 0.00 C ATOM 0 H LEU A 81 3.626 9.972 4.498 1.00 0.00 H new ATOM 0 HA LEU A 81 4.738 12.268 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.571 10.353 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.365 11.531 1.343 1.00 0.00 H new ATOM 0 HG LEU A 81 4.783 9.271 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.960 8.230 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.265 8.411 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.958 9.532 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.668 9.846 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.732 11.210 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.222 11.206 2.360 1.00 0.00 H new ATOM 1211 N GLU A 82 1.523 12.438 4.038 1.00 0.00 N ATOM 1212 CA GLU A 82 0.406 13.360 4.200 1.00 0.00 C ATOM 1213 C GLU A 82 0.798 14.541 5.083 1.00 0.00 C ATOM 1214 O GLU A 82 0.511 15.693 4.760 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.799 12.636 4.804 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.011 13.531 5.000 1.00 0.00 C ATOM 1217 CD GLU A 82 -1.981 14.272 6.323 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -1.329 15.335 6.393 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -2.609 13.789 7.288 1.00 0.00 O ATOM 0 H GLU A 82 1.325 11.480 4.328 1.00 0.00 H new ATOM 0 HA GLU A 82 0.136 13.739 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.074 11.803 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.512 12.211 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.061 14.253 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.917 12.927 4.947 1.00 0.00 H new ATOM 1226 N GLN A 83 1.456 14.244 6.199 1.00 0.00 N ATOM 1227 CA GLN A 83 1.887 15.281 7.130 1.00 0.00 C ATOM 1228 C GLN A 83 2.791 16.294 6.435 1.00 0.00 C ATOM 1229 O GLN A 83 2.727 17.492 6.713 1.00 0.00 O ATOM 1230 CB GLN A 83 2.620 14.656 8.318 1.00 0.00 C ATOM 1231 CG GLN A 83 1.733 13.778 9.187 1.00 0.00 C ATOM 1232 CD GLN A 83 2.273 13.615 10.594 1.00 0.00 C ATOM 1233 OE1 GLN A 83 2.877 14.533 11.150 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.057 12.442 11.178 1.00 0.00 N ATOM 0 H GLN A 83 1.702 13.295 6.480 1.00 0.00 H new ATOM 0 HA GLN A 83 1.000 15.801 7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.454 14.061 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.043 15.451 8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.734 14.211 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.634 12.796 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.552 11.710 10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.397 12.274 12.125 1.00 0.00 H new ATOM 1243 N LYS A 84 3.634 15.806 5.531 1.00 0.00 N ATOM 1244 CA LYS A 84 4.551 16.668 4.795 1.00 0.00 C ATOM 1245 C LYS A 84 3.868 17.272 3.572 1.00 0.00 C ATOM 1246 O LYS A 84 4.518 17.878 2.722 1.00 0.00 O ATOM 1247 CB LYS A 84 5.789 15.880 4.364 1.00 0.00 C ATOM 1248 CG LYS A 84 6.688 15.478 5.521 1.00 0.00 C ATOM 1249 CD LYS A 84 7.479 14.220 5.202 1.00 0.00 C ATOM 1250 CE LYS A 84 8.680 14.525 4.321 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.678 15.380 5.021 1.00 0.00 N ATOM 0 H LYS A 84 3.701 14.817 5.290 1.00 0.00 H new ATOM 0 HA LYS A 84 4.856 17.479 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.471 14.983 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.364 16.480 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.375 16.293 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.083 15.312 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.815 13.756 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.832 13.500 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.152 13.592 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.346 15.026 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.609 15.266 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.385 16.376 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.739 15.096 6.020 1.00 0.00 H new ATOM 1265 N GLY A 85 2.552 17.101 3.491 1.00 0.00 N ATOM 1266 CA GLY A 85 1.803 17.636 2.369 1.00 0.00 C ATOM 1267 C GLY A 85 2.220 17.022 1.047 1.00 0.00 C ATOM 1268 O GLY A 85 2.187 17.682 0.010 1.00 0.00 O ATOM 0 H GLY A 85 1.992 16.602 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.739 17.459 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.943 18.716 2.325 1.00 0.00 H new ATOM 1272 N LEU A 86 2.616 15.754 1.085 1.00 0.00 N ATOM 1273 CA LEU A 86 3.044 15.050 -0.119 1.00 0.00 C ATOM 1274 C LEU A 86 1.922 14.173 -0.664 1.00 0.00 C ATOM 1275 O LEU A 86 1.756 14.041 -1.876 1.00 0.00 O ATOM 1276 CB LEU A 86 4.278 14.195 0.177 1.00 0.00 C ATOM 1277 CG LEU A 86 5.404 14.918 0.916 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.466 13.930 1.371 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.018 15.992 0.031 1.00 0.00 C ATOM 0 H LEU A 86 2.650 15.193 1.936 1.00 0.00 H new ATOM 0 HA LEU A 86 3.298 15.794 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.970 13.333 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.670 13.811 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 86 4.983 15.398 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.259 14.464 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.018 13.197 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.884 13.420 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.818 16.497 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.424 15.533 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.253 16.718 -0.245 1.00 0.00 H new ATOM 1291 N LEU A 87 1.153 13.576 0.240 1.00 0.00 N ATOM 1292 CA LEU A 87 0.046 12.710 -0.149 1.00 0.00 C ATOM 1293 C LEU A 87 -1.293 13.407 0.071 1.00 0.00 C ATOM 1294 O LEU A 87 -1.444 14.208 0.994 1.00 0.00 O ATOM 1295 CB LEU A 87 0.091 11.402 0.644 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.886 10.325 0.171 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.260 9.483 -0.929 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.315 9.447 1.337 1.00 0.00 C ATOM 0 H LEU A 87 1.276 13.676 1.248 1.00 0.00 H new ATOM 0 HA LEU A 87 0.148 12.486 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.103 11.000 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.114 11.623 1.692 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.771 10.816 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.970 8.722 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.002 10.122 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.641 9.001 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.010 8.686 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.439 8.965 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.804 10.061 2.094 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.262 13.097 -0.783 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.589 13.694 -0.683 1.00 0.00 C ATOM 1312 C PHE A 88 -4.467 12.908 0.286 1.00 0.00 C ATOM 1313 O PHE A 88 -5.286 13.483 1.004 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.253 13.747 -2.061 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.004 12.495 -2.414 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.365 11.265 -2.417 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.349 12.548 -2.743 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.053 10.111 -2.740 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.042 11.397 -3.067 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.394 10.178 -3.067 1.00 0.00 C ATOM 0 H PHE A 88 -2.154 12.436 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.476 14.709 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.939 14.593 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.489 13.928 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.317 11.208 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.861 13.499 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.544 9.159 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.091 11.451 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.934 9.278 -3.322 1.00 0.00 H new ATOM 1330 N SER A 89 -4.291 11.591 0.301 1.00 0.00 N ATOM 1331 CA SER A 89 -5.070 10.725 1.179 1.00 0.00 C ATOM 1332 C SER A 89 -6.563 10.990 1.017 1.00 0.00 C ATOM 1333 O SER A 89 -7.291 11.123 2.000 1.00 0.00 O ATOM 1334 CB SER A 89 -4.657 10.937 2.636 1.00 0.00 C ATOM 1335 OG SER A 89 -5.293 12.078 3.186 1.00 0.00 O ATOM 0 H SER A 89 -3.616 11.100 -0.285 1.00 0.00 H new ATOM 0 HA SER A 89 -4.870 9.690 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.915 10.055 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.575 11.055 2.697 1.00 0.00 H new ATOM 0 HG SER A 89 -5.449 12.738 2.479 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.013 11.066 -0.232 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.418 11.315 -0.501 1.00 0.00 C ATOM 1343 C GLY A 90 -8.752 12.793 -0.514 1.00 0.00 C ATOM 1344 O GLY A 90 -7.913 13.644 -0.217 1.00 0.00 O ATOM 0 H GLY A 90 -6.430 10.960 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.684 10.877 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.024 10.815 0.255 1.00 0.00 H new ATOM 1348 N PRO A 91 -10.005 13.118 -0.867 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.476 14.504 -0.928 1.00 0.00 C ATOM 1350 C PRO A 91 -10.598 15.137 0.454 1.00 0.00 C ATOM 1351 O PRO A 91 -10.165 14.559 1.451 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.854 14.382 -1.583 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.303 12.997 -1.266 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.057 12.155 -1.234 1.00 0.00 C ATOM 0 HA PRO A 91 -9.784 15.145 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.548 15.123 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.796 14.543 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.821 12.964 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.002 12.631 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.136 11.348 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.859 11.693 -2.201 1.00 0.00 H new ATOM 1362 N SER A 92 -11.190 16.325 0.506 1.00 0.00 N ATOM 1363 CA SER A 92 -11.366 17.037 1.766 1.00 0.00 C ATOM 1364 C SER A 92 -10.042 17.147 2.517 1.00 0.00 C ATOM 1365 O SER A 92 -10.009 17.116 3.747 1.00 0.00 O ATOM 1366 CB SER A 92 -12.402 16.326 2.638 1.00 0.00 C ATOM 1367 OG SER A 92 -11.839 15.196 3.280 1.00 0.00 O ATOM 0 H SER A 92 -11.556 16.815 -0.310 1.00 0.00 H new ATOM 0 HA SER A 92 -11.721 18.043 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.789 17.018 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.247 16.016 2.024 1.00 0.00 H new ATOM 0 HG SER A 92 -11.161 14.793 2.698 1.00 0.00 H new ATOM 1373 N SER A 93 -8.952 17.275 1.767 1.00 0.00 N ATOM 1374 CA SER A 93 -7.625 17.386 2.360 1.00 0.00 C ATOM 1375 C SER A 93 -7.166 18.840 2.400 1.00 0.00 C ATOM 1376 O SER A 93 -7.429 19.611 1.477 1.00 0.00 O ATOM 1377 CB SER A 93 -6.619 16.544 1.572 1.00 0.00 C ATOM 1378 OG SER A 93 -5.288 16.883 1.919 1.00 0.00 O ATOM 0 H SER A 93 -8.962 17.304 0.747 1.00 0.00 H new ATOM 0 HA SER A 93 -7.680 17.013 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.792 15.486 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.770 16.697 0.503 1.00 0.00 H new ATOM 0 HG SER A 93 -4.665 16.330 1.403 1.00 0.00 H new ATOM 1384 N GLY A 94 -6.480 19.209 3.477 1.00 0.00 N ATOM 1385 CA GLY A 94 -5.996 20.570 3.618 1.00 0.00 C ATOM 1386 C GLY A 94 -5.681 20.927 5.058 1.00 0.00 C ATOM 1387 O GLY A 94 -6.580 21.010 5.894 1.00 0.00 O ATOM 0 H GLY A 94 -6.251 18.590 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.100 20.699 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.745 21.261 3.231 1.00 0.00 H new TER 1391 GLY A 94