USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 814 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 50 SER OG : rot -115:sc= -0.718 USER MOD Set 1.2: A 83 MET CE :methyl -172:sc= 0 (180deg=-0.0669) USER MOD Single : A 1 ASP N :NH3+ -167:sc= -0.144 (180deg=-0.602) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= -0.118 (180deg=-0.89) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 67:sc= -7.09! USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 0.584 (180deg=0.379) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.798 K(o=-0.8,f=-1.5) USER MOD Single : A 26 THR OG1 : rot 100:sc= -0.106 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00755 USER MOD Single : A 36 SER OG : rot 180:sc= 0.171 USER MOD Single : A 37 TYR OH : rot 136:sc= 0.997 USER MOD Single : A 38 SER OG : rot -70:sc= 1.12 USER MOD Single : A 40 SER OG : rot 61:sc= 1.05 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.008 K(o=-0.008,f=-1.9!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 65 THR OG1 : rot 84:sc= -1.36! USER MOD Single : A 67 ASN : amide:sc= -5.1! C(o=-5.1!,f=-7.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 73 SER OG : rot 180:sc= 0.149 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.054 K(o=-0.054,f=-0.87!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 108:sc= 0.0788 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -173:sc= -1.37 (180deg=-1.47) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.38! C(o=-7.4!,f=-9.1!) USER MOD Single : A 102 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.5!) USER MOD Single : A 103 HIS : no HE2:sc= -4.78! C(o=-4.7!,f=-11!) USER MOD Single : A 104 HIS : no HE2:sc= -2.11 X(o=-2.1,f=-1.9!) USER MOD Single : A 106 HIS : no HD1:sc= -2.55 K(o=-2.6,f=-5.4!) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= -0.0457 (180deg=-0.352) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 111 THR OG1 : rot -60:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 19.044 -3.789 15.506 1.00 50.00 N ATOM 2 CA ASP A 1 18.192 -4.017 14.303 1.00 50.00 C ATOM 3 C ASP A 1 16.830 -3.340 14.483 1.00 50.00 C ATOM 4 O ASP A 1 15.796 -3.926 14.226 1.00 50.00 O ATOM 5 CB ASP A 1 18.032 -5.535 14.213 1.00 50.00 C ATOM 6 CG ASP A 1 19.412 -6.192 14.169 1.00 50.00 C ATOM 7 OD1 ASP A 1 20.323 -5.577 13.637 1.00 50.00 O ATOM 8 OD2 ASP A 1 19.536 -7.299 14.666 1.00 50.00 O ATOM 0 H1 ASP A 1 20.026 -4.055 15.291 1.00 50.00 H new ATOM 0 H2 ASP A 1 19.008 -2.784 15.772 1.00 50.00 H new ATOM 0 H3 ASP A 1 18.693 -4.368 16.295 1.00 50.00 H new ATOM 0 HA ASP A 1 18.634 -3.601 13.398 1.00 50.00 H new ATOM 0 HB2 ASP A 1 17.469 -5.903 15.071 1.00 50.00 H new ATOM 0 HB3 ASP A 1 17.463 -5.799 13.321 1.00 50.00 H new ATOM 15 N LYS A 2 16.822 -2.112 14.924 1.00 50.00 N ATOM 16 CA LYS A 2 15.526 -1.398 15.122 1.00 50.00 C ATOM 17 C LYS A 2 15.653 0.061 14.673 1.00 50.00 C ATOM 18 O LYS A 2 16.729 0.533 14.363 1.00 50.00 O ATOM 19 CB LYS A 2 15.257 -1.477 16.624 1.00 50.00 C ATOM 20 CG LYS A 2 16.271 -0.609 17.370 1.00 50.00 C ATOM 21 CD LYS A 2 15.862 -0.494 18.840 1.00 50.00 C ATOM 22 CE LYS A 2 17.083 -0.733 19.731 1.00 50.00 C ATOM 23 NZ LYS A 2 16.792 0.012 20.988 1.00 50.00 N ATOM 0 H LYS A 2 17.655 -1.571 15.156 1.00 50.00 H new ATOM 0 HA LYS A 2 14.717 -1.839 14.540 1.00 50.00 H new ATOM 0 HB2 LYS A 2 14.244 -1.139 16.841 1.00 50.00 H new ATOM 0 HB3 LYS A 2 15.328 -2.510 16.963 1.00 50.00 H new ATOM 0 HG2 LYS A 2 17.267 -1.046 17.292 1.00 50.00 H new ATOM 0 HG3 LYS A 2 16.321 0.381 16.917 1.00 50.00 H new ATOM 0 HD2 LYS A 2 15.444 0.493 19.036 1.00 50.00 H new ATOM 0 HD3 LYS A 2 15.083 -1.221 19.070 1.00 50.00 H new ATOM 0 HE2 LYS A 2 17.228 -1.796 19.926 1.00 50.00 H new ATOM 0 HE3 LYS A 2 17.995 -0.369 19.258 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 17.585 -0.103 21.651 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 16.665 1.021 20.772 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 15.922 -0.361 21.419 1.00 50.00 H new ATOM 37 N LEU A 3 14.563 0.777 14.636 1.00 50.00 N ATOM 38 CA LEU A 3 14.624 2.204 14.205 1.00 50.00 C ATOM 39 C LEU A 3 14.189 3.123 15.350 1.00 50.00 C ATOM 40 O LEU A 3 13.442 2.730 16.226 1.00 50.00 O ATOM 41 CB LEU A 3 13.647 2.305 13.034 1.00 50.00 C ATOM 42 CG LEU A 3 14.426 2.323 11.720 1.00 50.00 C ATOM 43 CD1 LEU A 3 15.358 3.537 11.695 1.00 50.00 C ATOM 44 CD2 LEU A 3 15.256 1.043 11.604 1.00 50.00 C ATOM 0 H LEU A 3 13.634 0.437 14.885 1.00 50.00 H new ATOM 0 HA LEU A 3 15.632 2.507 13.922 1.00 50.00 H new ATOM 0 HB2 LEU A 3 12.957 1.461 13.048 1.00 50.00 H new ATOM 0 HB3 LEU A 3 13.046 3.210 13.125 1.00 50.00 H new ATOM 0 HG LEU A 3 13.728 2.383 10.885 1.00 50.00 H new ATOM 0 HD11 LEU A 3 15.914 3.550 10.757 1.00 50.00 H new ATOM 0 HD12 LEU A 3 14.769 4.450 11.780 1.00 50.00 H new ATOM 0 HD13 LEU A 3 16.056 3.477 12.530 1.00 50.00 H new ATOM 0 HD21 LEU A 3 15.813 1.054 10.667 1.00 50.00 H new ATOM 0 HD22 LEU A 3 15.953 0.985 12.440 1.00 50.00 H new ATOM 0 HD23 LEU A 3 14.594 0.177 11.623 1.00 50.00 H new ATOM 56 N ALA A 4 14.650 4.344 15.352 1.00 50.00 N ATOM 57 CA ALA A 4 14.264 5.286 16.441 1.00 50.00 C ATOM 58 C ALA A 4 13.372 6.399 15.886 1.00 50.00 C ATOM 59 O ALA A 4 13.841 7.333 15.266 1.00 50.00 O ATOM 60 CB ALA A 4 15.584 5.862 16.954 1.00 50.00 C ATOM 0 H ALA A 4 15.277 4.730 14.647 1.00 50.00 H new ATOM 0 HA ALA A 4 13.700 4.793 17.233 1.00 50.00 H new ATOM 0 HB1 ALA A 4 15.384 6.567 17.761 1.00 50.00 H new ATOM 0 HB2 ALA A 4 16.213 5.054 17.326 1.00 50.00 H new ATOM 0 HB3 ALA A 4 16.097 6.376 16.141 1.00 50.00 H new ATOM 66 N LEU A 5 12.088 6.310 16.107 1.00 50.00 N ATOM 67 CA LEU A 5 11.169 7.366 15.593 1.00 50.00 C ATOM 68 C LEU A 5 10.590 8.171 16.761 1.00 50.00 C ATOM 69 O LEU A 5 10.693 7.780 17.906 1.00 50.00 O ATOM 70 CB LEU A 5 10.060 6.606 14.864 1.00 50.00 C ATOM 71 CG LEU A 5 10.472 6.371 13.410 1.00 50.00 C ATOM 72 CD1 LEU A 5 11.291 5.084 13.315 1.00 50.00 C ATOM 73 CD2 LEU A 5 9.220 6.243 12.540 1.00 50.00 C ATOM 0 H LEU A 5 11.636 5.553 16.620 1.00 50.00 H new ATOM 0 HA LEU A 5 11.676 8.074 14.937 1.00 50.00 H new ATOM 0 HB2 LEU A 5 9.872 5.653 15.358 1.00 50.00 H new ATOM 0 HB3 LEU A 5 9.130 7.173 14.902 1.00 50.00 H new ATOM 0 HG LEU A 5 11.073 7.211 13.062 1.00 50.00 H new ATOM 0 HD11 LEU A 5 11.585 4.916 12.279 1.00 50.00 H new ATOM 0 HD12 LEU A 5 12.183 5.174 13.935 1.00 50.00 H new ATOM 0 HD13 LEU A 5 10.690 4.244 13.663 1.00 50.00 H new ATOM 0 HD21 LEU A 5 9.513 6.076 11.503 1.00 50.00 H new ATOM 0 HD22 LEU A 5 8.620 5.402 12.888 1.00 50.00 H new ATOM 0 HD23 LEU A 5 8.634 7.160 12.608 1.00 50.00 H new ATOM 85 N LYS A 6 9.983 9.289 16.479 1.00 50.00 N ATOM 86 CA LYS A 6 9.399 10.115 17.574 1.00 50.00 C ATOM 87 C LYS A 6 7.956 10.499 17.233 1.00 50.00 C ATOM 88 O LYS A 6 7.385 10.012 16.277 1.00 50.00 O ATOM 89 CB LYS A 6 10.284 11.359 17.648 1.00 50.00 C ATOM 90 CG LYS A 6 10.173 12.145 16.340 1.00 50.00 C ATOM 91 CD LYS A 6 11.349 11.788 15.429 1.00 50.00 C ATOM 92 CE LYS A 6 11.608 12.939 14.454 1.00 50.00 C ATOM 93 NZ LYS A 6 12.207 14.024 15.283 1.00 50.00 N ATOM 0 H LYS A 6 9.865 9.667 15.539 1.00 50.00 H new ATOM 0 HA LYS A 6 9.369 9.581 18.524 1.00 50.00 H new ATOM 0 HB2 LYS A 6 9.980 11.985 18.487 1.00 50.00 H new ATOM 0 HB3 LYS A 6 11.320 11.071 17.824 1.00 50.00 H new ATOM 0 HG2 LYS A 6 9.231 11.914 15.843 1.00 50.00 H new ATOM 0 HG3 LYS A 6 10.170 13.215 16.546 1.00 50.00 H new ATOM 0 HD2 LYS A 6 12.240 11.596 16.026 1.00 50.00 H new ATOM 0 HD3 LYS A 6 11.131 10.873 14.878 1.00 50.00 H new ATOM 0 HE2 LYS A 6 12.284 12.634 13.655 1.00 50.00 H new ATOM 0 HE3 LYS A 6 10.684 13.270 13.980 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 11.570 14.846 15.291 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 12.344 13.682 16.256 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 13.125 14.301 14.881 1.00 50.00 H new ATOM 107 N GLY A 7 7.364 11.367 18.005 1.00 50.00 N ATOM 108 CA GLY A 7 5.959 11.778 17.723 1.00 50.00 C ATOM 109 C GLY A 7 5.815 13.287 17.929 1.00 50.00 C ATOM 110 O GLY A 7 5.028 13.741 18.736 1.00 50.00 O ATOM 0 H GLY A 7 7.791 11.810 18.819 1.00 50.00 H new ATOM 0 HA2 GLY A 7 5.690 11.513 16.700 1.00 50.00 H new ATOM 0 HA3 GLY A 7 5.274 11.244 18.381 1.00 50.00 H new ATOM 114 N THR A 8 6.569 14.069 17.206 1.00 50.00 N ATOM 115 CA THR A 8 6.473 15.550 17.360 1.00 50.00 C ATOM 116 C THR A 8 5.161 16.059 16.756 1.00 50.00 C ATOM 117 O THR A 8 4.534 15.391 15.958 1.00 50.00 O ATOM 118 CB THR A 8 7.671 16.106 16.588 1.00 50.00 C ATOM 119 OG1 THR A 8 7.782 15.432 15.342 1.00 50.00 O ATOM 120 CG2 THR A 8 8.948 15.896 17.402 1.00 50.00 C ATOM 0 H THR A 8 7.247 13.748 16.515 1.00 50.00 H new ATOM 0 HA THR A 8 6.483 15.859 18.405 1.00 50.00 H new ATOM 0 HB THR A 8 7.529 17.172 16.413 1.00 50.00 H new ATOM 0 HG1 THR A 8 8.548 15.788 14.845 1.00 50.00 H new ATOM 0 HG21 THR A 8 9.800 16.293 16.850 1.00 50.00 H new ATOM 0 HG22 THR A 8 8.860 16.415 18.357 1.00 50.00 H new ATOM 0 HG23 THR A 8 9.095 14.831 17.580 1.00 50.00 H new ATOM 128 N THR A 9 4.744 17.237 17.128 1.00 50.00 N ATOM 129 CA THR A 9 3.474 17.788 16.574 1.00 50.00 C ATOM 130 C THR A 9 3.400 17.527 15.066 1.00 50.00 C ATOM 131 O THR A 9 4.193 18.036 14.299 1.00 50.00 O ATOM 132 CB THR A 9 3.537 19.290 16.857 1.00 50.00 C ATOM 133 OG1 THR A 9 4.892 19.715 16.845 1.00 50.00 O ATOM 134 CG2 THR A 9 2.921 19.579 18.227 1.00 50.00 C ATOM 0 H THR A 9 5.227 17.843 17.792 1.00 50.00 H new ATOM 0 HA THR A 9 2.593 17.327 17.020 1.00 50.00 H new ATOM 0 HB THR A 9 2.980 19.829 16.091 1.00 50.00 H new ATOM 0 HG1 THR A 9 4.935 20.677 17.024 1.00 50.00 H new ATOM 0 HG21 THR A 9 2.966 20.649 18.428 1.00 50.00 H new ATOM 0 HG22 THR A 9 1.881 19.252 18.235 1.00 50.00 H new ATOM 0 HG23 THR A 9 3.476 19.042 18.996 1.00 50.00 H new ATOM 142 N TYR A 10 2.456 16.736 14.636 1.00 50.00 N ATOM 143 CA TYR A 10 2.336 16.443 13.179 1.00 50.00 C ATOM 144 C TYR A 10 0.900 16.679 12.704 1.00 50.00 C ATOM 145 O TYR A 10 -0.039 16.617 13.475 1.00 50.00 O ATOM 146 CB TYR A 10 2.708 14.966 13.042 1.00 50.00 C ATOM 147 CG TYR A 10 1.830 14.138 13.949 1.00 50.00 C ATOM 148 CD1 TYR A 10 0.479 13.947 13.631 1.00 50.00 C ATOM 149 CD2 TYR A 10 2.364 13.561 15.106 1.00 50.00 C ATOM 150 CE1 TYR A 10 -0.336 13.180 14.471 1.00 50.00 C ATOM 151 CE2 TYR A 10 1.550 12.793 15.947 1.00 50.00 C ATOM 152 CZ TYR A 10 0.199 12.603 15.629 1.00 50.00 C ATOM 153 OH TYR A 10 -0.603 11.845 16.457 1.00 49.57 O ATOM 0 H TYR A 10 1.763 16.280 15.229 1.00 50.00 H new ATOM 0 HA TYR A 10 2.978 17.085 12.576 1.00 50.00 H new ATOM 0 HB2 TYR A 10 2.586 14.644 12.008 1.00 50.00 H new ATOM 0 HB3 TYR A 10 3.757 14.819 13.300 1.00 50.00 H new ATOM 0 HD1 TYR A 10 0.067 14.392 12.737 1.00 50.00 H new ATOM 0 HD2 TYR A 10 3.406 13.708 15.351 1.00 50.00 H new ATOM 0 HE1 TYR A 10 -1.378 13.033 14.226 1.00 50.00 H new ATOM 0 HE2 TYR A 10 1.963 12.348 16.840 1.00 50.00 H new ATOM 0 HH TYR A 10 -0.074 11.518 17.215 1.00 49.57 H new ATOM 163 N GLY A 11 0.720 16.949 11.440 1.00 50.00 N ATOM 164 CA GLY A 11 -0.654 17.189 10.915 1.00 50.00 C ATOM 165 C GLY A 11 -1.091 15.991 10.069 1.00 50.00 C ATOM 166 O GLY A 11 -0.443 15.628 9.107 1.00 50.00 O ATOM 0 H GLY A 11 1.466 17.014 10.747 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -1.350 17.338 11.741 1.00 50.00 H new ATOM 0 HA3 GLY A 11 -0.672 18.098 10.314 1.00 50.00 H new ATOM 170 N MET A 12 -2.183 15.370 10.423 1.00 50.00 N ATOM 171 CA MET A 12 -2.659 14.194 9.643 1.00 50.00 C ATOM 172 C MET A 12 -3.467 14.654 8.426 1.00 50.00 C ATOM 173 O MET A 12 -4.678 14.733 8.469 1.00 50.00 O ATOM 174 CB MET A 12 -3.549 13.422 10.616 1.00 50.00 C ATOM 175 CG MET A 12 -2.680 12.542 11.516 1.00 50.00 C ATOM 176 SD MET A 12 -3.320 10.849 11.506 1.00 50.00 S ATOM 177 CE MET A 12 -2.233 10.204 10.212 1.00 50.00 C ATOM 0 H MET A 12 -2.766 15.627 11.219 1.00 50.00 H new ATOM 0 HA MET A 12 -1.838 13.586 9.263 1.00 50.00 H new ATOM 0 HB2 MET A 12 -4.131 14.116 11.222 1.00 50.00 H new ATOM 0 HB3 MET A 12 -4.260 12.806 10.065 1.00 50.00 H new ATOM 0 HG2 MET A 12 -1.648 12.554 11.166 1.00 50.00 H new ATOM 0 HG3 MET A 12 -2.677 12.935 12.533 1.00 50.00 H new ATOM 0 HE1 MET A 12 -2.458 9.152 10.039 1.00 50.00 H new ATOM 0 HE2 MET A 12 -2.391 10.765 9.291 1.00 50.00 H new ATOM 0 HE3 MET A 12 -1.194 10.306 10.525 1.00 50.00 H new ATOM 187 N CYS A 13 -2.809 14.953 7.338 1.00 99.99 N ATOM 188 CA CYS A 13 -3.555 15.400 6.126 1.00 99.99 C ATOM 189 C CYS A 13 -2.823 14.980 4.843 1.00 99.99 C ATOM 190 O CYS A 13 -1.812 15.536 4.480 1.00 99.99 O ATOM 191 CB CYS A 13 -3.627 16.929 6.256 1.00 99.99 C ATOM 192 SG CYS A 13 -2.096 17.706 5.659 1.00 99.99 S ATOM 0 H CYS A 13 -1.795 14.908 7.236 1.00 99.99 H new ATOM 0 HA CYS A 13 -4.546 14.950 6.060 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -4.477 17.306 5.687 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -3.795 17.202 7.298 1.00 99.99 H new ATOM 197 N THR A 14 -3.335 14.010 4.142 1.00 99.99 N ATOM 198 CA THR A 14 -2.666 13.579 2.879 1.00 99.99 C ATOM 199 C THR A 14 -3.629 12.768 2.013 1.00 99.99 C ATOM 200 O THR A 14 -3.222 11.909 1.254 1.00 99.99 O ATOM 201 CB THR A 14 -1.480 12.725 3.321 1.00 99.99 C ATOM 202 OG1 THR A 14 -1.248 12.924 4.708 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.237 13.132 2.529 1.00 99.99 C ATOM 0 H THR A 14 -4.183 13.497 4.384 1.00 99.99 H new ATOM 0 HA THR A 14 -2.346 14.429 2.276 1.00 99.99 H new ATOM 0 HB THR A 14 -1.697 11.673 3.137 1.00 99.99 H new ATOM 0 HG1 THR A 14 -1.998 12.557 5.221 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.610 12.523 2.844 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.418 12.980 1.465 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.016 14.183 2.713 1.00 99.99 H new ATOM 211 N GLU A 15 -4.903 13.026 2.118 1.00 99.99 N ATOM 212 CA GLU A 15 -5.885 12.264 1.297 1.00 99.99 C ATOM 213 C GLU A 15 -5.582 12.444 -0.194 1.00 99.99 C ATOM 214 O GLU A 15 -6.125 11.755 -1.034 1.00 99.99 O ATOM 215 CB GLU A 15 -7.246 12.866 1.646 1.00 99.99 C ATOM 216 CG GLU A 15 -7.251 14.355 1.295 1.00 99.99 C ATOM 217 CD GLU A 15 -8.398 14.647 0.327 1.00 99.99 C ATOM 218 OE1 GLU A 15 -8.610 13.845 -0.567 1.00 99.99 O ATOM 219 OE2 GLU A 15 -9.044 15.669 0.494 1.00 99.99 O ATOM 0 H GLU A 15 -5.306 13.730 2.736 1.00 99.99 H new ATOM 0 HA GLU A 15 -5.850 11.194 1.500 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.035 12.350 1.099 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.454 12.731 2.707 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -7.364 14.952 2.200 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -6.300 14.636 0.844 1.00 99.99 H new ATOM 226 N LYS A 16 -4.718 13.365 -0.528 1.00 50.00 N ATOM 227 CA LYS A 16 -4.385 13.587 -1.964 1.00 50.00 C ATOM 228 C LYS A 16 -3.558 12.418 -2.508 1.00 50.00 C ATOM 229 O LYS A 16 -2.437 12.588 -2.946 1.00 50.00 O ATOM 230 CB LYS A 16 -3.563 14.877 -1.983 1.00 50.00 C ATOM 231 CG LYS A 16 -4.503 16.083 -2.013 1.00 50.00 C ATOM 232 CD LYS A 16 -4.731 16.590 -0.588 1.00 50.00 C ATOM 233 CE LYS A 16 -3.793 17.768 -0.309 1.00 50.00 C ATOM 234 NZ LYS A 16 -4.653 18.796 0.343 1.00 50.00 N ATOM 0 H LYS A 16 -4.230 13.972 0.130 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.277 13.659 -2.586 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.922 14.925 -1.103 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -2.909 14.891 -2.855 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -4.075 16.875 -2.628 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -5.454 15.805 -2.468 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -5.768 16.900 -0.462 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -4.549 15.789 0.128 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -2.969 17.472 0.341 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -3.352 18.148 -1.230 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -4.055 19.470 0.862 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -5.198 19.304 -0.383 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -5.307 18.332 1.005 1.00 50.00 H new ATOM 248 N PHE A 17 -4.104 11.233 -2.492 1.00 50.00 N ATOM 249 CA PHE A 17 -3.353 10.056 -3.017 1.00 50.00 C ATOM 250 C PHE A 17 -3.920 9.642 -4.378 1.00 50.00 C ATOM 251 O PHE A 17 -5.115 9.678 -4.598 1.00 50.00 O ATOM 252 CB PHE A 17 -3.574 8.950 -1.985 1.00 50.00 C ATOM 253 CG PHE A 17 -2.279 8.671 -1.260 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.618 9.705 -0.586 1.00 50.00 C ATOM 255 CD2 PHE A 17 -1.740 7.379 -1.261 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.418 9.446 0.088 1.00 50.00 C ATOM 257 CE2 PHE A 17 -0.541 7.120 -0.589 1.00 50.00 C ATOM 258 CZ PHE A 17 0.121 8.153 0.086 1.00 50.00 C ATOM 0 H PHE A 17 -5.038 11.028 -2.138 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.294 10.269 -3.161 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.344 9.250 -1.274 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -3.930 8.045 -2.477 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -2.033 10.702 -0.586 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -2.250 6.582 -1.781 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.092 10.243 0.609 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.126 6.123 -0.591 1.00 50.00 H new ATOM 0 HZ PHE A 17 1.047 7.953 0.605 1.00 50.00 H new ATOM 268 N SER A 18 -3.077 9.252 -5.292 1.00 50.00 N ATOM 269 CA SER A 18 -3.576 8.838 -6.636 1.00 50.00 C ATOM 270 C SER A 18 -3.080 7.432 -6.973 1.00 50.00 C ATOM 271 O SER A 18 -1.894 7.182 -7.038 1.00 50.00 O ATOM 272 CB SER A 18 -2.992 9.861 -7.609 1.00 50.00 C ATOM 273 OG SER A 18 -3.943 10.896 -7.831 1.00 50.00 O ATOM 0 H SER A 18 -2.066 9.201 -5.169 1.00 50.00 H new ATOM 0 HA SER A 18 -4.665 8.810 -6.681 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.070 10.279 -7.205 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.736 9.378 -8.552 1.00 50.00 H new ATOM 0 HG SER A 18 -3.570 11.555 -8.454 1.00 50.00 H new ATOM 279 N PHE A 19 -3.978 6.510 -7.187 1.00 50.00 N ATOM 280 CA PHE A 19 -3.551 5.118 -7.518 1.00 50.00 C ATOM 281 C PHE A 19 -2.784 5.106 -8.842 1.00 50.00 C ATOM 282 O PHE A 19 -3.328 5.400 -9.889 1.00 50.00 O ATOM 283 CB PHE A 19 -4.845 4.312 -7.643 1.00 50.00 C ATOM 284 CG PHE A 19 -5.821 4.738 -6.570 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.446 4.685 -5.222 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.099 5.187 -6.924 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.350 5.080 -4.228 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.002 5.582 -5.930 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.628 5.529 -4.582 1.00 50.00 C ATOM 0 H PHE A 19 -4.986 6.658 -7.148 1.00 50.00 H new ATOM 0 HA PHE A 19 -2.890 4.701 -6.758 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.285 4.464 -8.629 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.631 3.247 -7.551 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.460 4.340 -4.949 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.388 5.229 -7.964 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -6.061 5.038 -3.188 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.988 5.928 -6.203 1.00 50.00 H new ATOM 0 HZ PHE A 19 -8.325 5.834 -3.816 1.00 50.00 H new ATOM 299 N ALA A 20 -1.526 4.765 -8.806 1.00 50.00 N ATOM 300 CA ALA A 20 -0.726 4.733 -10.064 1.00 50.00 C ATOM 301 C ALA A 20 -0.514 3.286 -10.516 1.00 50.00 C ATOM 302 O ALA A 20 -0.368 3.008 -11.690 1.00 50.00 O ATOM 303 CB ALA A 20 0.610 5.382 -9.701 1.00 50.00 C ATOM 0 H ALA A 20 -1.017 4.507 -7.961 1.00 50.00 H new ATOM 0 HA ALA A 20 -1.222 5.254 -10.883 1.00 50.00 H new ATOM 0 HB1 ALA A 20 1.258 5.396 -10.578 1.00 50.00 H new ATOM 0 HB2 ALA A 20 0.438 6.403 -9.360 1.00 50.00 H new ATOM 0 HB3 ALA A 20 1.088 4.810 -8.906 1.00 50.00 H new ATOM 309 N LYS A 21 -0.498 2.363 -9.594 1.00 50.00 N ATOM 310 CA LYS A 21 -0.296 0.935 -9.973 1.00 50.00 C ATOM 311 C LYS A 21 -1.092 0.023 -9.037 1.00 50.00 C ATOM 312 O LYS A 21 -1.344 0.354 -7.896 1.00 50.00 O ATOM 313 CB LYS A 21 1.205 0.689 -9.810 1.00 50.00 C ATOM 314 CG LYS A 21 1.984 1.886 -10.359 1.00 50.00 C ATOM 315 CD LYS A 21 3.434 1.475 -10.624 1.00 50.00 C ATOM 316 CE LYS A 21 4.304 2.728 -10.751 1.00 50.00 C ATOM 317 NZ LYS A 21 4.235 3.099 -12.191 1.00 50.00 N ATOM 0 H LYS A 21 -0.616 2.535 -8.596 1.00 50.00 H new ATOM 0 HA LYS A 21 -0.636 0.726 -10.987 1.00 50.00 H new ATOM 0 HB2 LYS A 21 1.447 0.537 -8.758 1.00 50.00 H new ATOM 0 HB3 LYS A 21 1.494 -0.219 -10.338 1.00 50.00 H new ATOM 0 HG2 LYS A 21 1.522 2.242 -11.280 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.953 2.711 -9.647 1.00 50.00 H new ATOM 0 HD2 LYS A 21 3.799 0.846 -9.812 1.00 50.00 H new ATOM 0 HD3 LYS A 21 3.494 0.883 -11.537 1.00 50.00 H new ATOM 0 HE2 LYS A 21 3.932 3.533 -10.118 1.00 50.00 H new ATOM 0 HE3 LYS A 21 5.331 2.529 -10.443 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 4.808 3.951 -12.358 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 4.602 2.316 -12.769 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 3.247 3.289 -12.453 1.00 50.00 H new ATOM 331 N ASN A 22 -1.490 -1.126 -9.512 1.00 50.00 N ATOM 332 CA ASN A 22 -2.267 -2.060 -8.648 1.00 50.00 C ATOM 333 C ASN A 22 -1.357 -2.676 -7.583 1.00 50.00 C ATOM 334 O ASN A 22 -0.148 -2.622 -7.693 1.00 50.00 O ATOM 335 CB ASN A 22 -2.785 -3.139 -9.599 1.00 50.00 C ATOM 336 CG ASN A 22 -4.307 -3.041 -9.704 1.00 50.00 C ATOM 337 OD1 ASN A 22 -4.866 -1.965 -9.623 1.00 50.00 O ATOM 338 ND2 ASN A 22 -5.008 -4.127 -9.884 1.00 50.00 N ATOM 0 H ASN A 22 -1.311 -1.458 -10.460 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.078 -1.557 -8.120 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -2.334 -3.017 -10.584 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -2.498 -4.126 -9.236 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -6.024 -4.072 -9.957 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -4.540 -5.031 -9.952 1.00 50.00 H new ATOM 345 N PRO A 23 -1.974 -3.245 -6.584 1.00 50.00 N ATOM 346 CA PRO A 23 -1.211 -3.882 -5.484 1.00 50.00 C ATOM 347 C PRO A 23 -0.585 -5.193 -5.965 1.00 50.00 C ATOM 348 O PRO A 23 -1.253 -6.045 -6.515 1.00 50.00 O ATOM 349 CB PRO A 23 -2.273 -4.143 -4.418 1.00 50.00 C ATOM 350 CG PRO A 23 -3.564 -4.225 -5.169 1.00 50.00 C ATOM 351 CD PRO A 23 -3.424 -3.348 -6.387 1.00 50.00 C ATOM 0 HA PRO A 23 -0.389 -3.268 -5.116 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.071 -5.068 -3.878 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.296 -3.342 -3.680 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -3.777 -5.254 -5.458 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.394 -3.890 -4.547 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -3.915 -3.789 -7.255 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -3.876 -2.369 -6.228 1.00 50.00 H new ATOM 359 N ALA A 24 0.693 -5.360 -5.765 1.00 50.00 N ATOM 360 CA ALA A 24 1.356 -6.617 -6.216 1.00 50.00 C ATOM 361 C ALA A 24 2.090 -7.281 -5.048 1.00 50.00 C ATOM 362 O ALA A 24 2.510 -6.626 -4.114 1.00 50.00 O ATOM 363 CB ALA A 24 2.348 -6.177 -7.293 1.00 50.00 C ATOM 0 H ALA A 24 1.306 -4.683 -5.310 1.00 50.00 H new ATOM 0 HA ALA A 24 0.640 -7.347 -6.594 1.00 50.00 H new ATOM 0 HB1 ALA A 24 2.878 -7.048 -7.677 1.00 50.00 H new ATOM 0 HB2 ALA A 24 1.810 -5.692 -8.107 1.00 50.00 H new ATOM 0 HB3 ALA A 24 3.064 -5.476 -6.864 1.00 50.00 H new ATOM 369 N ASP A 25 2.247 -8.575 -5.094 1.00 50.00 N ATOM 370 CA ASP A 25 2.955 -9.281 -3.988 1.00 50.00 C ATOM 371 C ASP A 25 4.466 -9.261 -4.233 1.00 50.00 C ATOM 372 O ASP A 25 4.924 -9.327 -5.357 1.00 50.00 O ATOM 373 CB ASP A 25 2.421 -10.714 -4.028 1.00 50.00 C ATOM 374 CG ASP A 25 3.025 -11.517 -2.875 1.00 50.00 C ATOM 375 OD1 ASP A 25 4.182 -11.887 -2.980 1.00 50.00 O ATOM 376 OD2 ASP A 25 2.320 -11.747 -1.906 1.00 50.00 O ATOM 0 H ASP A 25 1.916 -9.175 -5.850 1.00 50.00 H new ATOM 0 HA ASP A 25 2.785 -8.811 -3.019 1.00 50.00 H new ATOM 0 HB2 ASP A 25 1.334 -10.710 -3.952 1.00 50.00 H new ATOM 0 HB3 ASP A 25 2.672 -11.180 -4.981 1.00 50.00 H new ATOM 381 N THR A 26 5.244 -9.173 -3.189 1.00 50.00 N ATOM 382 CA THR A 26 6.725 -9.149 -3.364 1.00 50.00 C ATOM 383 C THR A 26 7.393 -10.069 -2.339 1.00 50.00 C ATOM 384 O THR A 26 8.479 -9.800 -1.863 1.00 50.00 O ATOM 385 CB THR A 26 7.132 -7.693 -3.121 1.00 50.00 C ATOM 386 OG1 THR A 26 5.968 -6.906 -2.904 1.00 50.00 O ATOM 387 CG2 THR A 26 7.889 -7.163 -4.340 1.00 50.00 C ATOM 0 H THR A 26 4.919 -9.117 -2.224 1.00 50.00 H new ATOM 0 HA THR A 26 7.029 -9.497 -4.351 1.00 50.00 H new ATOM 0 HB THR A 26 7.776 -7.637 -2.244 1.00 50.00 H new ATOM 0 HG1 THR A 26 5.846 -6.760 -1.943 1.00 50.00 H new ATOM 0 HG21 THR A 26 8.178 -6.127 -4.166 1.00 50.00 H new ATOM 0 HG22 THR A 26 8.782 -7.766 -4.504 1.00 50.00 H new ATOM 0 HG23 THR A 26 7.247 -7.218 -5.219 1.00 50.00 H new ATOM 395 N GLY A 27 6.754 -11.153 -1.995 1.00 50.00 N ATOM 396 CA GLY A 27 7.353 -12.087 -1.002 1.00 50.00 C ATOM 397 C GLY A 27 6.264 -12.997 -0.434 1.00 50.00 C ATOM 398 O GLY A 27 5.744 -13.860 -1.115 1.00 50.00 O ATOM 0 H GLY A 27 5.843 -11.432 -2.359 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.132 -12.686 -1.474 1.00 50.00 H new ATOM 0 HA3 GLY A 27 7.827 -11.524 -0.198 1.00 50.00 H new ATOM 402 N HIS A 28 5.913 -12.813 0.809 1.00 50.00 N ATOM 403 CA HIS A 28 4.856 -13.670 1.420 1.00 50.00 C ATOM 404 C HIS A 28 3.778 -12.796 2.068 1.00 50.00 C ATOM 405 O HIS A 28 3.852 -12.466 3.235 1.00 50.00 O ATOM 406 CB HIS A 28 5.584 -14.501 2.477 1.00 50.00 C ATOM 407 CG HIS A 28 5.101 -15.924 2.417 1.00 50.00 C ATOM 408 ND1 HIS A 28 5.896 -16.955 1.943 1.00 50.00 N ATOM 409 CD2 HIS A 28 3.906 -16.503 2.767 1.00 50.00 C ATOM 410 CE1 HIS A 28 5.178 -18.091 2.019 1.00 50.00 C ATOM 411 NE2 HIS A 28 3.957 -17.872 2.514 1.00 50.00 N ATOM 0 H HIS A 28 6.312 -12.107 1.428 1.00 50.00 H new ATOM 0 HA HIS A 28 4.354 -14.298 0.684 1.00 50.00 H new ATOM 0 HB2 HIS A 28 6.660 -14.464 2.307 1.00 50.00 H new ATOM 0 HB3 HIS A 28 5.404 -14.086 3.469 1.00 50.00 H new ATOM 0 HD2 HIS A 28 3.056 -15.977 3.176 1.00 50.00 H new ATOM 0 HE1 HIS A 28 5.544 -19.061 1.717 1.00 50.00 H new ATOM 0 HE2 HIS A 28 3.220 -18.559 2.673 1.00 50.00 H new ATOM 419 N GLY A 29 2.777 -12.422 1.319 1.00 50.00 N ATOM 420 CA GLY A 29 1.695 -11.571 1.892 1.00 50.00 C ATOM 421 C GLY A 29 2.081 -10.096 1.773 1.00 50.00 C ATOM 422 O GLY A 29 1.293 -9.214 2.052 1.00 50.00 O ATOM 0 H GLY A 29 2.661 -12.668 0.336 1.00 50.00 H new ATOM 0 HA2 GLY A 29 0.758 -11.755 1.367 1.00 50.00 H new ATOM 0 HA3 GLY A 29 1.530 -11.830 2.938 1.00 50.00 H new ATOM 426 N THR A 30 3.288 -9.819 1.363 1.00 50.00 N ATOM 427 CA THR A 30 3.723 -8.399 1.229 1.00 50.00 C ATOM 428 C THR A 30 3.202 -7.808 -0.085 1.00 50.00 C ATOM 429 O THR A 30 3.593 -8.220 -1.158 1.00 50.00 O ATOM 430 CB THR A 30 5.252 -8.451 1.224 1.00 50.00 C ATOM 431 OG1 THR A 30 5.691 -9.344 0.212 1.00 50.00 O ATOM 432 CG2 THR A 30 5.750 -8.935 2.586 1.00 50.00 C ATOM 0 H THR A 30 3.992 -10.514 1.115 1.00 50.00 H new ATOM 0 HA THR A 30 3.339 -7.772 2.034 1.00 50.00 H new ATOM 0 HB THR A 30 5.650 -7.456 1.026 1.00 50.00 H new ATOM 0 HG1 THR A 30 6.670 -9.377 0.207 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.839 -8.972 2.583 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.413 -8.248 3.362 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.354 -9.931 2.786 1.00 50.00 H new ATOM 440 N VAL A 31 2.322 -6.845 -0.009 1.00 50.00 N ATOM 441 CA VAL A 31 1.783 -6.237 -1.251 1.00 50.00 C ATOM 442 C VAL A 31 2.375 -4.842 -1.460 1.00 50.00 C ATOM 443 O VAL A 31 2.565 -4.091 -0.524 1.00 50.00 O ATOM 444 CB VAL A 31 0.272 -6.157 -1.038 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.406 -5.727 -2.340 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.255 -7.532 -0.620 1.00 50.00 C ATOM 0 H VAL A 31 1.956 -6.456 0.860 1.00 50.00 H new ATOM 0 HA VAL A 31 2.035 -6.822 -2.136 1.00 50.00 H new ATOM 0 HB VAL A 31 0.053 -5.429 -0.257 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.484 -5.670 -2.187 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.030 -4.749 -2.640 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.188 -6.455 -3.121 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.333 -7.478 -0.467 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.035 -8.259 -1.402 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.228 -7.840 0.308 1.00 50.00 H new ATOM 456 N VAL A 32 2.671 -4.491 -2.680 1.00 50.00 N ATOM 457 CA VAL A 32 3.254 -3.149 -2.950 1.00 50.00 C ATOM 458 C VAL A 32 2.262 -2.286 -3.733 1.00 50.00 C ATOM 459 O VAL A 32 1.557 -2.761 -4.603 1.00 50.00 O ATOM 460 CB VAL A 32 4.505 -3.419 -3.787 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.686 -3.712 -2.861 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.271 -4.621 -4.708 1.00 50.00 C ATOM 0 H VAL A 32 2.534 -5.077 -3.503 1.00 50.00 H new ATOM 0 HA VAL A 32 3.486 -2.610 -2.031 1.00 50.00 H new ATOM 0 HB VAL A 32 4.723 -2.540 -4.394 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.577 -3.904 -3.458 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.862 -2.854 -2.213 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.462 -4.587 -2.251 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.167 -4.806 -5.300 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.046 -5.502 -4.107 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.433 -4.412 -5.373 1.00 50.00 H new ATOM 472 N ILE A 33 2.209 -1.018 -3.434 1.00 50.00 N ATOM 473 CA ILE A 33 1.272 -0.111 -4.158 1.00 50.00 C ATOM 474 C ILE A 33 1.946 1.240 -4.400 1.00 50.00 C ATOM 475 O ILE A 33 2.653 1.751 -3.554 1.00 50.00 O ATOM 476 CB ILE A 33 0.071 0.048 -3.226 1.00 50.00 C ATOM 477 CG1 ILE A 33 -0.925 1.031 -3.846 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.541 0.584 -1.874 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.237 0.307 -4.151 1.00 50.00 C ATOM 0 H ILE A 33 2.777 -0.568 -2.716 1.00 50.00 H new ATOM 0 HA ILE A 33 0.978 -0.505 -5.131 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.411 -0.919 -3.084 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.106 1.861 -3.163 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.511 1.456 -4.761 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.316 0.697 -1.210 1.00 50.00 H new ATOM 0 HG22 ILE A 33 1.252 -0.114 -1.433 1.00 50.00 H new ATOM 0 HG23 ILE A 33 1.022 1.552 -2.014 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -2.945 1.008 -4.592 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.049 -0.508 -4.850 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.653 -0.096 -3.228 1.00 50.00 H new ATOM 491 N GLU A 34 1.741 1.822 -5.549 1.00 50.00 N ATOM 492 CA GLU A 34 2.381 3.137 -5.837 1.00 50.00 C ATOM 493 C GLU A 34 1.320 4.191 -6.160 1.00 50.00 C ATOM 494 O GLU A 34 0.602 4.087 -7.135 1.00 50.00 O ATOM 495 CB GLU A 34 3.271 2.885 -7.053 1.00 50.00 C ATOM 496 CG GLU A 34 4.418 3.898 -7.063 1.00 50.00 C ATOM 497 CD GLU A 34 5.352 3.598 -8.237 1.00 50.00 C ATOM 498 OE1 GLU A 34 5.899 2.509 -8.270 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.505 4.465 -9.083 1.00 50.00 O ATOM 0 H GLU A 34 1.160 1.446 -6.299 1.00 50.00 H new ATOM 0 HA GLU A 34 2.947 3.512 -4.984 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.668 1.870 -7.023 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.687 2.972 -7.969 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.023 4.910 -7.148 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.969 3.849 -6.124 1.00 50.00 H new ATOM 506 N LEU A 35 1.224 5.212 -5.353 1.00 50.00 N ATOM 507 CA LEU A 35 0.220 6.283 -5.616 1.00 50.00 C ATOM 508 C LEU A 35 0.918 7.642 -5.643 1.00 50.00 C ATOM 509 O LEU A 35 1.791 7.911 -4.845 1.00 50.00 O ATOM 510 CB LEU A 35 -0.772 6.211 -4.453 1.00 50.00 C ATOM 511 CG LEU A 35 -1.032 4.750 -4.088 1.00 50.00 C ATOM 512 CD1 LEU A 35 0.068 4.262 -3.146 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.389 4.633 -3.391 1.00 50.00 C ATOM 0 H LEU A 35 1.798 5.351 -4.522 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.283 6.153 -6.574 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.375 6.746 -3.590 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.707 6.699 -4.729 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.035 4.142 -4.992 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.114 3.220 -2.883 1.00 50.00 H new ATOM 0 HD12 LEU A 35 1.035 4.348 -3.641 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.068 4.870 -2.241 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.575 3.591 -3.130 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.386 5.239 -2.485 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.174 4.985 -4.061 1.00 50.00 H new ATOM 525 N SER A 36 0.545 8.502 -6.545 1.00 50.00 N ATOM 526 CA SER A 36 1.196 9.830 -6.614 1.00 50.00 C ATOM 527 C SER A 36 0.477 10.803 -5.689 1.00 50.00 C ATOM 528 O SER A 36 -0.725 10.965 -5.762 1.00 50.00 O ATOM 529 CB SER A 36 1.057 10.267 -8.071 1.00 50.00 C ATOM 530 OG SER A 36 -0.064 9.614 -8.652 1.00 50.00 O ATOM 0 H SER A 36 -0.185 8.339 -7.238 1.00 50.00 H new ATOM 0 HA SER A 36 2.240 9.801 -6.302 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.932 11.348 -8.128 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.963 10.021 -8.625 1.00 50.00 H new ATOM 0 HG SER A 36 -0.157 9.894 -9.587 1.00 50.00 H new ATOM 536 N TYR A 37 1.190 11.455 -4.814 1.00 50.00 N ATOM 537 CA TYR A 37 0.508 12.406 -3.904 1.00 50.00 C ATOM 538 C TYR A 37 0.484 13.799 -4.537 1.00 50.00 C ATOM 539 O TYR A 37 1.431 14.553 -4.440 1.00 50.00 O ATOM 540 CB TYR A 37 1.335 12.406 -2.619 1.00 50.00 C ATOM 541 CG TYR A 37 0.979 13.616 -1.788 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.145 13.586 -0.955 1.00 50.00 C ATOM 543 CD2 TYR A 37 1.775 14.767 -1.852 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.475 14.709 -0.185 1.00 50.00 C ATOM 545 CE2 TYR A 37 1.444 15.889 -1.082 1.00 50.00 C ATOM 546 CZ TYR A 37 0.318 15.859 -0.249 1.00 50.00 C ATOM 547 OH TYR A 37 -0.007 16.965 0.510 1.00 49.57 O ATOM 0 H TYR A 37 2.199 11.371 -4.693 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.526 12.124 -3.708 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.145 11.494 -2.052 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.398 12.417 -2.859 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.758 12.698 -0.906 1.00 50.00 H new ATOM 0 HD2 TYR A 37 2.643 14.789 -2.494 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.342 14.686 0.458 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.057 16.777 -1.130 1.00 50.00 H new ATOM 0 HH TYR A 37 0.803 17.322 0.931 1.00 49.57 H new ATOM 557 N SER A 38 -0.589 14.142 -5.193 1.00 50.00 N ATOM 558 CA SER A 38 -0.668 15.476 -5.837 1.00 50.00 C ATOM 559 C SER A 38 -1.360 16.468 -4.903 1.00 50.00 C ATOM 560 O SER A 38 -2.473 16.893 -5.144 1.00 50.00 O ATOM 561 CB SER A 38 -1.497 15.258 -7.102 1.00 50.00 C ATOM 562 OG SER A 38 -2.024 16.504 -7.539 1.00 50.00 O ATOM 0 H SER A 38 -1.414 13.553 -5.309 1.00 50.00 H new ATOM 0 HA SER A 38 0.316 15.886 -6.064 1.00 50.00 H new ATOM 0 HB2 SER A 38 -0.879 14.817 -7.884 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.308 14.557 -6.903 1.00 50.00 H new ATOM 0 HG SER A 38 -2.715 16.805 -6.912 1.00 50.00 H new ATOM 568 N GLY A 39 -0.711 16.836 -3.836 1.00 99.99 N ATOM 569 CA GLY A 39 -1.330 17.795 -2.882 1.00 99.99 C ATOM 570 C GLY A 39 -0.432 19.025 -2.739 1.00 99.99 C ATOM 571 O GLY A 39 0.744 18.918 -2.454 1.00 99.99 O ATOM 0 H GLY A 39 0.223 16.514 -3.583 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.317 18.092 -3.237 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.470 17.319 -1.911 1.00 99.99 H new ATOM 575 N SER A 40 -0.977 20.195 -2.936 1.00 99.99 N ATOM 576 CA SER A 40 -0.154 21.432 -2.814 1.00 99.99 C ATOM 577 C SER A 40 -0.117 21.906 -1.358 1.00 99.99 C ATOM 578 O SER A 40 0.082 23.072 -1.080 1.00 99.99 O ATOM 579 CB SER A 40 -0.857 22.462 -3.697 1.00 99.99 C ATOM 580 OG SER A 40 -1.478 23.442 -2.874 1.00 99.99 O ATOM 0 H SER A 40 -1.957 20.348 -3.176 1.00 99.99 H new ATOM 0 HA SER A 40 0.880 21.271 -3.118 1.00 99.99 H new ATOM 0 HB2 SER A 40 -0.138 22.935 -4.366 1.00 99.99 H new ATOM 0 HB3 SER A 40 -1.602 21.972 -4.324 1.00 99.99 H new ATOM 0 HG SER A 40 -0.796 23.899 -2.339 1.00 99.99 H new ATOM 586 N ASP A 41 -0.306 21.012 -0.427 1.00 99.99 N ATOM 587 CA ASP A 41 -0.278 21.415 1.008 1.00 99.99 C ATOM 588 C ASP A 41 1.083 21.076 1.622 1.00 99.99 C ATOM 589 O ASP A 41 1.334 21.333 2.783 1.00 99.99 O ATOM 590 CB ASP A 41 -1.385 20.594 1.673 1.00 99.99 C ATOM 591 CG ASP A 41 -2.565 21.506 2.011 1.00 99.99 C ATOM 592 OD1 ASP A 41 -2.335 22.684 2.233 1.00 99.99 O ATOM 593 OD2 ASP A 41 -3.681 21.012 2.044 1.00 99.99 O ATOM 0 H ASP A 41 -0.478 20.021 -0.597 1.00 99.99 H new ATOM 0 HA ASP A 41 -0.431 22.486 1.140 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -1.709 19.794 1.007 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -1.007 20.121 2.579 1.00 99.99 H new ATOM 598 N GLY A 42 1.964 20.498 0.850 1.00 99.99 N ATOM 599 CA GLY A 42 3.307 20.142 1.389 1.00 99.99 C ATOM 600 C GLY A 42 3.259 18.733 1.982 1.00 99.99 C ATOM 601 O GLY A 42 2.348 17.977 1.710 1.00 99.99 O ATOM 0 H GLY A 42 1.811 20.257 -0.129 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.054 20.190 0.596 1.00 99.99 H new ATOM 0 HA3 GLY A 42 3.607 20.860 2.153 1.00 99.99 H new ATOM 605 N PRO A 43 4.247 18.429 2.779 1.00 99.99 N ATOM 606 CA PRO A 43 4.321 17.096 3.423 1.00 99.99 C ATOM 607 C PRO A 43 3.270 16.976 4.531 1.00 99.99 C ATOM 608 O PRO A 43 2.872 17.953 5.132 1.00 99.99 O ATOM 609 CB PRO A 43 5.733 17.054 3.999 1.00 99.99 C ATOM 610 CG PRO A 43 6.119 18.485 4.188 1.00 99.99 C ATOM 611 CD PRO A 43 5.375 19.288 3.152 1.00 99.99 C ATOM 0 HA PRO A 43 4.125 16.275 2.733 1.00 99.99 H new ATOM 0 HB2 PRO A 43 5.757 16.511 4.944 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.420 16.546 3.322 1.00 99.99 H new ATOM 0 HG2 PRO A 43 5.864 18.823 5.193 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.195 18.612 4.073 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.034 20.241 3.555 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.006 19.513 2.292 1.00 99.99 H new ATOM 619 N CYS A 44 2.813 15.783 4.795 1.00 50.00 N ATOM 620 CA CYS A 44 1.781 15.591 5.856 1.00 50.00 C ATOM 621 C CYS A 44 1.598 14.094 6.133 1.00 50.00 C ATOM 622 O CYS A 44 1.977 13.258 5.337 1.00 50.00 O ATOM 623 CB CYS A 44 0.506 16.194 5.268 1.00 50.00 C ATOM 624 SG CYS A 44 -0.598 16.726 6.603 1.00 50.00 S ATOM 0 H CYS A 44 3.110 14.930 4.321 1.00 50.00 H new ATOM 0 HA CYS A 44 2.052 16.059 6.802 1.00 50.00 H new ATOM 0 HB2 CYS A 44 0.755 17.042 4.631 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.003 15.460 4.639 1.00 50.00 H new ATOM 629 N LYS A 45 1.025 13.745 7.254 1.00 50.00 N ATOM 630 CA LYS A 45 0.829 12.297 7.568 1.00 50.00 C ATOM 631 C LYS A 45 -0.356 11.743 6.772 1.00 50.00 C ATOM 632 O LYS A 45 -1.464 12.228 6.880 1.00 50.00 O ATOM 633 CB LYS A 45 0.540 12.241 9.071 1.00 50.00 C ATOM 634 CG LYS A 45 1.459 13.214 9.814 1.00 50.00 C ATOM 635 CD LYS A 45 2.891 13.069 9.294 1.00 50.00 C ATOM 636 CE LYS A 45 3.779 14.132 9.944 1.00 50.00 C ATOM 637 NZ LYS A 45 4.840 14.412 8.938 1.00 50.00 N ATOM 0 H LYS A 45 0.685 14.395 7.963 1.00 50.00 H new ATOM 0 HA LYS A 45 1.701 11.699 7.304 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.503 12.496 9.260 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.692 11.228 9.442 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.112 14.238 9.672 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.428 13.013 10.885 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.272 12.073 9.520 1.00 50.00 H new ATOM 0 HD3 LYS A 45 2.908 13.178 8.210 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.210 15.032 10.179 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.207 13.771 10.879 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.490 15.133 9.311 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 5.369 13.539 8.739 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 4.403 14.760 8.061 1.00 50.00 H new ATOM 651 N ILE A 46 -0.129 10.737 5.969 1.00 50.00 N ATOM 652 CA ILE A 46 -1.239 10.158 5.156 1.00 50.00 C ATOM 653 C ILE A 46 -2.035 9.139 5.979 1.00 50.00 C ATOM 654 O ILE A 46 -1.545 8.070 6.284 1.00 50.00 O ATOM 655 CB ILE A 46 -0.552 9.468 3.974 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.572 10.356 3.430 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.577 9.220 2.864 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.763 9.481 3.033 1.00 50.00 C ATOM 0 H ILE A 46 0.779 10.290 5.841 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.945 10.922 4.831 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.132 8.520 4.310 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.219 10.922 2.568 1.00 50.00 H new ATOM 0 HG13 ILE A 46 0.875 11.082 4.185 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.090 8.729 2.022 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.376 8.583 3.243 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.996 10.171 2.536 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.564 10.111 2.646 1.00 50.00 H new ATOM 0 HD12 ILE A 46 2.121 8.935 3.906 1.00 50.00 H new ATOM 0 HD13 ILE A 46 1.454 8.773 2.264 1.00 50.00 H new ATOM 670 N PRO A 47 -3.244 9.507 6.304 1.00 50.00 N ATOM 671 CA PRO A 47 -4.129 8.619 7.092 1.00 50.00 C ATOM 672 C PRO A 47 -4.774 7.563 6.187 1.00 50.00 C ATOM 673 O PRO A 47 -5.667 7.857 5.416 1.00 50.00 O ATOM 674 CB PRO A 47 -5.185 9.570 7.643 1.00 50.00 C ATOM 675 CG PRO A 47 -5.221 10.724 6.688 1.00 50.00 C ATOM 676 CD PRO A 47 -3.894 10.779 5.972 1.00 50.00 C ATOM 0 HA PRO A 47 -3.600 8.071 7.872 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.158 9.082 7.706 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.928 9.901 8.649 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -6.035 10.602 5.973 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.404 11.656 7.223 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -4.028 10.887 4.896 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.298 11.628 6.306 1.00 50.00 H new ATOM 684 N ILE A 48 -4.332 6.338 6.273 1.00 50.00 N ATOM 685 CA ILE A 48 -4.927 5.273 5.414 1.00 50.00 C ATOM 686 C ILE A 48 -5.467 4.129 6.276 1.00 50.00 C ATOM 687 O ILE A 48 -4.887 3.767 7.280 1.00 50.00 O ATOM 688 CB ILE A 48 -3.776 4.780 4.538 1.00 50.00 C ATOM 689 CG1 ILE A 48 -3.402 5.865 3.527 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.207 3.518 3.790 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.153 6.601 4.010 1.00 50.00 C ATOM 0 H ILE A 48 -3.588 6.029 6.898 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.763 5.646 4.822 1.00 50.00 H new ATOM 0 HB ILE A 48 -2.915 4.555 5.167 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -3.219 5.419 2.549 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.228 6.567 3.408 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.386 3.167 3.165 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.474 2.743 4.508 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.069 3.744 3.162 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -1.885 7.375 3.290 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.353 7.060 4.978 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -1.329 5.894 4.106 1.00 50.00 H new ATOM 703 N VAL A 49 -6.570 3.554 5.885 1.00 50.00 N ATOM 704 CA VAL A 49 -7.147 2.428 6.673 1.00 50.00 C ATOM 705 C VAL A 49 -7.243 1.178 5.794 1.00 50.00 C ATOM 706 O VAL A 49 -8.182 1.007 5.042 1.00 50.00 O ATOM 707 CB VAL A 49 -8.540 2.903 7.089 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.414 3.939 8.207 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.242 3.536 5.885 1.00 50.00 C ATOM 0 H VAL A 49 -7.098 3.815 5.052 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.537 2.168 7.538 1.00 50.00 H new ATOM 0 HB VAL A 49 -9.122 2.053 7.446 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.407 4.277 8.503 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -7.913 3.490 9.064 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.832 4.789 7.851 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.235 3.875 6.180 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.659 4.386 5.529 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.332 2.799 5.087 1.00 50.00 H new ATOM 719 N SER A 50 -6.276 0.307 5.879 1.00 50.00 N ATOM 720 CA SER A 50 -6.308 -0.927 5.042 1.00 50.00 C ATOM 721 C SER A 50 -7.074 -2.038 5.763 1.00 50.00 C ATOM 722 O SER A 50 -6.575 -2.655 6.682 1.00 50.00 O ATOM 723 CB SER A 50 -4.842 -1.319 4.859 1.00 50.00 C ATOM 724 OG SER A 50 -4.532 -1.338 3.472 1.00 50.00 O ATOM 0 H SER A 50 -5.465 0.395 6.491 1.00 50.00 H new ATOM 0 HA SER A 50 -6.810 -0.765 4.088 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.196 -0.611 5.378 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.658 -2.299 5.298 1.00 50.00 H new ATOM 0 HG SER A 50 -4.313 -2.253 3.198 1.00 50.00 H new ATOM 730 N VAL A 51 -8.285 -2.299 5.351 1.00 50.00 N ATOM 731 CA VAL A 51 -9.081 -3.371 6.014 1.00 50.00 C ATOM 732 C VAL A 51 -9.674 -4.312 4.962 1.00 50.00 C ATOM 733 O VAL A 51 -9.764 -3.978 3.797 1.00 50.00 O ATOM 734 CB VAL A 51 -10.192 -2.634 6.760 1.00 50.00 C ATOM 735 CG1 VAL A 51 -9.591 -1.849 7.927 1.00 50.00 C ATOM 736 CG2 VAL A 51 -10.892 -1.666 5.804 1.00 50.00 C ATOM 0 H VAL A 51 -8.757 -1.817 4.586 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.476 -3.982 6.684 1.00 50.00 H new ATOM 0 HB VAL A 51 -10.914 -3.357 7.141 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.384 -1.323 8.459 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.091 -2.537 8.609 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -8.869 -1.127 7.546 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -11.685 -1.140 6.335 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.169 -0.944 5.423 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.321 -2.223 4.971 1.00 50.00 H new ATOM 746 N ALA A 52 -10.086 -5.482 5.365 1.00 50.00 N ATOM 747 CA ALA A 52 -10.684 -6.437 4.387 1.00 50.00 C ATOM 748 C ALA A 52 -12.028 -5.892 3.906 1.00 50.00 C ATOM 749 O ALA A 52 -12.585 -4.998 4.510 1.00 50.00 O ATOM 750 CB ALA A 52 -10.877 -7.737 5.170 1.00 50.00 C ATOM 0 H ALA A 52 -10.035 -5.819 6.327 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.059 -6.589 3.507 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.315 -8.493 4.518 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -9.912 -8.088 5.536 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -11.542 -7.558 6.015 1.00 50.00 H new ATOM 756 N SER A 53 -12.562 -6.402 2.830 1.00 50.00 N ATOM 757 CA SER A 53 -13.871 -5.870 2.366 1.00 50.00 C ATOM 758 C SER A 53 -14.949 -6.250 3.380 1.00 50.00 C ATOM 759 O SER A 53 -15.444 -7.360 3.393 1.00 50.00 O ATOM 760 CB SER A 53 -14.126 -6.549 1.022 1.00 50.00 C ATOM 761 OG SER A 53 -15.525 -6.579 0.769 1.00 50.00 O ATOM 0 H SER A 53 -12.158 -7.148 2.264 1.00 50.00 H new ATOM 0 HA SER A 53 -13.879 -4.785 2.267 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.612 -6.010 0.226 1.00 50.00 H new ATOM 0 HB3 SER A 53 -13.725 -7.562 1.031 1.00 50.00 H new ATOM 0 HG SER A 53 -15.692 -7.013 -0.094 1.00 50.00 H new ATOM 767 N LEU A 54 -15.310 -5.331 4.231 1.00 50.00 N ATOM 768 CA LEU A 54 -16.362 -5.675 5.245 1.00 50.00 C ATOM 769 C LEU A 54 -16.526 -4.565 6.277 1.00 50.00 C ATOM 770 O LEU A 54 -17.551 -3.914 6.340 1.00 50.00 O ATOM 771 CB LEU A 54 -15.859 -6.949 5.931 1.00 50.00 C ATOM 772 CG LEU A 54 -17.021 -7.926 6.111 1.00 50.00 C ATOM 773 CD1 LEU A 54 -18.158 -7.233 6.864 1.00 50.00 C ATOM 774 CD2 LEU A 54 -17.523 -8.381 4.738 1.00 50.00 C ATOM 0 H LEU A 54 -14.939 -4.382 4.275 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.335 -5.808 4.771 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -15.072 -7.410 5.334 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -15.422 -6.705 6.899 1.00 50.00 H new ATOM 0 HG LEU A 54 -16.682 -8.792 6.680 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -18.987 -7.929 6.993 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -17.802 -6.908 7.842 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -18.497 -6.367 6.295 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -18.351 -9.078 4.866 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -17.862 -7.515 4.169 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -16.714 -8.875 4.200 1.00 50.00 H new ATOM 786 N ASN A 55 -15.538 -4.342 7.092 1.00 50.00 N ATOM 787 CA ASN A 55 -15.655 -3.272 8.121 1.00 50.00 C ATOM 788 C ASN A 55 -14.934 -2.005 7.654 1.00 50.00 C ATOM 789 O ASN A 55 -13.751 -2.020 7.374 1.00 50.00 O ATOM 790 CB ASN A 55 -14.961 -3.850 9.355 1.00 50.00 C ATOM 791 CG ASN A 55 -15.841 -4.937 9.973 1.00 50.00 C ATOM 792 OD1 ASN A 55 -16.963 -5.141 9.550 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.379 -5.650 10.964 1.00 50.00 N ATOM 0 H ASN A 55 -14.655 -4.852 7.092 1.00 50.00 H new ATOM 0 HA ASN A 55 -16.691 -2.994 8.316 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.992 -4.265 9.079 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -14.774 -3.061 10.083 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.959 -6.377 11.383 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.438 -5.480 11.320 1.00 50.00 H new ATOM 800 N ASP A 56 -15.634 -0.908 7.569 1.00 50.00 N ATOM 801 CA ASP A 56 -14.983 0.356 7.124 1.00 50.00 C ATOM 802 C ASP A 56 -14.790 1.296 8.317 1.00 50.00 C ATOM 803 O ASP A 56 -14.613 2.488 8.158 1.00 50.00 O ATOM 804 CB ASP A 56 -15.952 0.965 6.109 1.00 50.00 C ATOM 805 CG ASP A 56 -15.366 0.834 4.702 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.177 0.579 4.598 1.00 50.00 O ATOM 807 OD2 ASP A 56 -16.115 0.991 3.753 1.00 50.00 O ATOM 0 H ASP A 56 -16.627 -0.832 7.788 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.997 0.185 6.691 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.916 0.459 6.162 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.130 2.014 6.344 1.00 50.00 H new ATOM 812 N MET A 57 -14.825 0.769 9.511 1.00 50.00 N ATOM 813 CA MET A 57 -14.646 1.634 10.712 1.00 50.00 C ATOM 814 C MET A 57 -13.522 1.089 11.599 1.00 50.00 C ATOM 815 O MET A 57 -13.123 1.712 12.563 1.00 50.00 O ATOM 816 CB MET A 57 -15.985 1.570 11.447 1.00 50.00 C ATOM 817 CG MET A 57 -16.715 2.906 11.293 1.00 50.00 C ATOM 818 SD MET A 57 -16.416 3.928 12.757 1.00 50.00 S ATOM 819 CE MET A 57 -18.131 4.434 13.035 1.00 50.00 C ATOM 0 H MET A 57 -14.970 -0.222 9.706 1.00 50.00 H new ATOM 0 HA MET A 57 -14.372 2.655 10.447 1.00 50.00 H new ATOM 0 HB2 MET A 57 -16.595 0.761 11.044 1.00 50.00 H new ATOM 0 HB3 MET A 57 -15.823 1.351 12.502 1.00 50.00 H new ATOM 0 HG2 MET A 57 -16.367 3.422 10.398 1.00 50.00 H new ATOM 0 HG3 MET A 57 -17.784 2.736 11.167 1.00 50.00 H new ATOM 0 HE1 MET A 57 -18.182 5.084 13.908 1.00 50.00 H new ATOM 0 HE2 MET A 57 -18.498 4.972 12.161 1.00 50.00 H new ATOM 0 HE3 MET A 57 -18.748 3.551 13.203 1.00 50.00 H new ATOM 829 N THR A 58 -13.008 -0.068 11.282 1.00 50.00 N ATOM 830 CA THR A 58 -11.913 -0.647 12.113 1.00 50.00 C ATOM 831 C THR A 58 -10.794 -1.187 11.216 1.00 50.00 C ATOM 832 O THR A 58 -11.053 -1.763 10.179 1.00 50.00 O ATOM 833 CB THR A 58 -12.568 -1.785 12.897 1.00 50.00 C ATOM 834 OG1 THR A 58 -13.642 -2.324 12.138 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.098 -1.253 14.228 1.00 50.00 C ATOM 0 H THR A 58 -13.297 -0.636 10.486 1.00 50.00 H new ATOM 0 HA THR A 58 -11.461 0.094 12.772 1.00 50.00 H new ATOM 0 HB THR A 58 -11.831 -2.565 13.089 1.00 50.00 H new ATOM 0 HG1 THR A 58 -14.062 -3.055 12.638 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.564 -2.066 14.785 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.273 -0.841 14.810 1.00 50.00 H new ATOM 0 HG23 THR A 58 -13.835 -0.472 14.040 1.00 50.00 H new ATOM 843 N PRO A 59 -9.583 -0.978 11.653 1.00 50.00 N ATOM 844 CA PRO A 59 -8.403 -1.448 10.887 1.00 50.00 C ATOM 845 C PRO A 59 -8.268 -2.969 10.993 1.00 50.00 C ATOM 846 O PRO A 59 -8.413 -3.542 12.053 1.00 50.00 O ATOM 847 CB PRO A 59 -7.231 -0.750 11.572 1.00 50.00 C ATOM 848 CG PRO A 59 -7.706 -0.468 12.962 1.00 50.00 C ATOM 849 CD PRO A 59 -9.201 -0.291 12.892 1.00 50.00 C ATOM 0 HA PRO A 59 -8.465 -1.222 9.822 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.344 -1.384 11.579 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -6.962 0.170 11.053 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -7.446 -1.288 13.632 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -7.230 0.429 13.357 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -9.696 -0.728 13.759 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -9.477 0.763 12.865 1.00 50.00 H new ATOM 857 N VAL A 60 -7.992 -3.627 9.901 1.00 50.00 N ATOM 858 CA VAL A 60 -7.848 -5.111 9.943 1.00 50.00 C ATOM 859 C VAL A 60 -6.809 -5.575 8.919 1.00 50.00 C ATOM 860 O VAL A 60 -6.664 -6.752 8.655 1.00 50.00 O ATOM 861 CB VAL A 60 -9.232 -5.654 9.587 1.00 50.00 C ATOM 862 CG1 VAL A 60 -9.139 -7.159 9.332 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.194 -5.392 10.748 1.00 50.00 C ATOM 0 H VAL A 60 -7.860 -3.203 8.983 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.509 -5.464 10.917 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.599 -5.156 8.690 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -10.126 -7.547 9.078 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -8.452 -7.346 8.507 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.773 -7.658 10.229 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.182 -5.778 10.496 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.827 -5.891 11.645 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.260 -4.319 10.931 1.00 50.00 H new ATOM 873 N GLY A 61 -6.080 -4.659 8.343 1.00 50.00 N ATOM 874 CA GLY A 61 -5.048 -5.048 7.340 1.00 50.00 C ATOM 875 C GLY A 61 -3.657 -4.813 7.930 1.00 50.00 C ATOM 876 O GLY A 61 -3.512 -4.222 8.982 1.00 50.00 O ATOM 0 H GLY A 61 -6.154 -3.658 8.523 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.167 -6.096 7.066 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.172 -4.464 6.428 1.00 50.00 H new ATOM 880 N ARG A 62 -2.631 -5.268 7.266 1.00 50.00 N ATOM 881 CA ARG A 62 -1.254 -5.068 7.798 1.00 50.00 C ATOM 882 C ARG A 62 -0.517 -4.008 6.974 1.00 50.00 C ATOM 883 O ARG A 62 -0.701 -3.900 5.778 1.00 50.00 O ATOM 884 CB ARG A 62 -0.574 -6.428 7.655 1.00 50.00 C ATOM 885 CG ARG A 62 -1.108 -7.379 8.728 1.00 50.00 C ATOM 886 CD ARG A 62 0.016 -7.739 9.701 1.00 50.00 C ATOM 887 NE ARG A 62 -0.310 -9.111 10.176 1.00 50.00 N ATOM 888 CZ ARG A 62 0.635 -10.003 10.296 1.00 50.00 C ATOM 889 NH1 ARG A 62 1.428 -10.252 9.290 1.00 50.00 N ATOM 890 NH2 ARG A 62 0.788 -10.646 11.422 1.00 50.00 N ATOM 0 H ARG A 62 -2.686 -5.769 6.379 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.256 -4.720 8.831 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.763 -6.839 6.663 1.00 50.00 H new ATOM 0 HB3 ARG A 62 0.506 -6.319 7.755 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -1.932 -6.910 9.266 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -1.503 -8.282 8.263 1.00 50.00 H new ATOM 0 HD2 ARG A 62 0.988 -7.713 9.208 1.00 50.00 H new ATOM 0 HD3 ARG A 62 0.060 -7.034 10.531 1.00 50.00 H new ATOM 0 HE ARG A 62 -1.273 -9.354 10.408 1.00 50.00 H new ATOM 0 HH11 ARG A 62 1.309 -9.750 8.410 1.00 50.00 H new ATOM 0 HH12 ARG A 62 2.167 -10.949 9.383 1.00 50.00 H new ATOM 0 HH21 ARG A 62 0.169 -10.451 12.209 1.00 50.00 H new ATOM 0 HH22 ARG A 62 1.527 -11.343 11.515 1.00 50.00 H new ATOM 904 N LEU A 63 0.315 -3.225 7.605 1.00 50.00 N ATOM 905 CA LEU A 63 1.062 -2.175 6.857 1.00 50.00 C ATOM 906 C LEU A 63 2.566 -2.450 6.927 1.00 50.00 C ATOM 907 O LEU A 63 3.182 -2.323 7.967 1.00 50.00 O ATOM 908 CB LEU A 63 0.719 -0.864 7.566 1.00 50.00 C ATOM 909 CG LEU A 63 -0.239 -0.048 6.698 1.00 50.00 C ATOM 910 CD1 LEU A 63 -1.669 -0.219 7.212 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.150 1.431 6.759 1.00 50.00 C ATOM 0 H LEU A 63 0.509 -3.267 8.605 1.00 50.00 H new ATOM 0 HA LEU A 63 0.794 -2.147 5.801 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.262 -1.071 8.534 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.628 -0.294 7.758 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.180 -0.398 5.667 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -2.351 0.363 6.592 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.948 -1.272 7.168 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -1.729 0.129 8.243 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.533 2.013 6.140 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.092 1.780 7.790 1.00 50.00 H new ATOM 0 HD23 LEU A 63 1.168 1.555 6.390 1.00 50.00 H new ATOM 923 N VAL A 64 3.164 -2.827 5.829 1.00 50.00 N ATOM 924 CA VAL A 64 4.629 -3.110 5.839 1.00 50.00 C ATOM 925 C VAL A 64 5.400 -1.914 5.277 1.00 50.00 C ATOM 926 O VAL A 64 6.325 -2.066 4.505 1.00 50.00 O ATOM 927 CB VAL A 64 4.806 -4.333 4.941 1.00 50.00 C ATOM 928 CG1 VAL A 64 6.298 -4.620 4.759 1.00 50.00 C ATOM 929 CG2 VAL A 64 4.131 -5.543 5.589 1.00 50.00 C ATOM 0 H VAL A 64 2.703 -2.951 4.928 1.00 50.00 H new ATOM 0 HA VAL A 64 5.008 -3.289 6.845 1.00 50.00 H new ATOM 0 HB VAL A 64 4.351 -4.139 3.970 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.425 -5.493 4.118 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.781 -3.758 4.298 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.752 -4.814 5.731 1.00 50.00 H new ATOM 0 HG21 VAL A 64 4.257 -6.416 4.949 1.00 50.00 H new ATOM 0 HG22 VAL A 64 4.586 -5.737 6.560 1.00 50.00 H new ATOM 0 HG23 VAL A 64 3.068 -5.340 5.720 1.00 50.00 H new ATOM 939 N THR A 65 5.025 -0.726 5.659 1.00 50.00 N ATOM 940 CA THR A 65 5.736 0.480 5.149 1.00 50.00 C ATOM 941 C THR A 65 6.108 1.402 6.312 1.00 50.00 C ATOM 942 O THR A 65 5.380 1.521 7.279 1.00 50.00 O ATOM 943 CB THR A 65 4.732 1.167 4.221 1.00 50.00 C ATOM 944 OG1 THR A 65 3.965 0.180 3.544 1.00 50.00 O ATOM 945 CG2 THR A 65 5.481 2.024 3.199 1.00 50.00 C ATOM 0 H THR A 65 4.257 -0.537 6.303 1.00 50.00 H new ATOM 0 HA THR A 65 6.662 0.228 4.633 1.00 50.00 H new ATOM 0 HB THR A 65 4.070 1.804 4.808 1.00 50.00 H new ATOM 0 HG1 THR A 65 3.217 -0.099 4.112 1.00 50.00 H new ATOM 0 HG21 THR A 65 4.764 2.513 2.539 1.00 50.00 H new ATOM 0 HG22 THR A 65 6.069 2.780 3.719 1.00 50.00 H new ATOM 0 HG23 THR A 65 6.144 1.391 2.610 1.00 50.00 H new ATOM 953 N VAL A 66 7.233 2.057 6.228 1.00 50.00 N ATOM 954 CA VAL A 66 7.647 2.968 7.326 1.00 50.00 C ATOM 955 C VAL A 66 6.523 3.960 7.637 1.00 50.00 C ATOM 956 O VAL A 66 5.421 3.840 7.139 1.00 50.00 O ATOM 957 CB VAL A 66 8.871 3.694 6.775 1.00 50.00 C ATOM 958 CG1 VAL A 66 10.015 2.696 6.584 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.521 4.332 5.429 1.00 50.00 C ATOM 0 H VAL A 66 7.883 1.999 5.444 1.00 50.00 H new ATOM 0 HA VAL A 66 7.865 2.440 8.254 1.00 50.00 H new ATOM 0 HB VAL A 66 9.180 4.469 7.476 1.00 50.00 H new ATOM 0 HG11 VAL A 66 10.889 3.215 6.190 1.00 50.00 H new ATOM 0 HG12 VAL A 66 10.265 2.241 7.542 1.00 50.00 H new ATOM 0 HG13 VAL A 66 9.708 1.920 5.883 1.00 50.00 H new ATOM 0 HG21 VAL A 66 9.394 4.851 5.034 1.00 50.00 H new ATOM 0 HG22 VAL A 66 8.212 3.556 4.728 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.707 5.044 5.564 1.00 50.00 H new ATOM 969 N ASN A 67 6.790 4.940 8.456 1.00 50.00 N ATOM 970 CA ASN A 67 5.731 5.934 8.793 1.00 50.00 C ATOM 971 C ASN A 67 5.026 6.403 7.516 1.00 50.00 C ATOM 972 O ASN A 67 5.633 7.025 6.667 1.00 50.00 O ATOM 973 CB ASN A 67 6.476 7.095 9.451 1.00 50.00 C ATOM 974 CG ASN A 67 6.189 7.100 10.954 1.00 50.00 C ATOM 975 OD1 ASN A 67 5.476 6.251 11.451 1.00 50.00 O ATOM 976 ND2 ASN A 67 6.718 8.028 11.703 1.00 50.00 N ATOM 0 H ASN A 67 7.692 5.096 8.905 1.00 50.00 H new ATOM 0 HA ASN A 67 4.964 5.519 9.447 1.00 50.00 H new ATOM 0 HB2 ASN A 67 7.547 7.000 9.275 1.00 50.00 H new ATOM 0 HB3 ASN A 67 6.163 8.040 9.007 1.00 50.00 H new ATOM 0 HD21 ASN A 67 6.533 8.041 12.706 1.00 50.00 H new ATOM 0 HD22 ASN A 67 7.317 8.741 11.286 1.00 50.00 H new ATOM 983 N PRO A 68 3.762 6.089 7.426 1.00 50.00 N ATOM 984 CA PRO A 68 2.964 6.485 6.239 1.00 50.00 C ATOM 985 C PRO A 68 2.706 7.993 6.257 1.00 50.00 C ATOM 986 O PRO A 68 1.586 8.442 6.392 1.00 50.00 O ATOM 987 CB PRO A 68 1.662 5.706 6.407 1.00 50.00 C ATOM 988 CG PRO A 68 1.556 5.445 7.875 1.00 50.00 C ATOM 989 CD PRO A 68 2.964 5.346 8.406 1.00 50.00 C ATOM 0 HA PRO A 68 3.461 6.271 5.293 1.00 50.00 H new ATOM 0 HB2 PRO A 68 0.809 6.280 6.045 1.00 50.00 H new ATOM 0 HB3 PRO A 68 1.683 4.775 5.841 1.00 50.00 H new ATOM 0 HG2 PRO A 68 1.012 6.248 8.372 1.00 50.00 H new ATOM 0 HG3 PRO A 68 1.006 4.523 8.064 1.00 50.00 H new ATOM 0 HD2 PRO A 68 3.047 5.781 9.402 1.00 50.00 H new ATOM 0 HD3 PRO A 68 3.290 4.309 8.483 1.00 50.00 H new ATOM 997 N PHE A 69 3.741 8.775 6.115 1.00 50.00 N ATOM 998 CA PHE A 69 3.576 10.256 6.122 1.00 50.00 C ATOM 999 C PHE A 69 4.403 10.881 4.998 1.00 50.00 C ATOM 1000 O PHE A 69 5.601 10.691 4.918 1.00 50.00 O ATOM 1001 CB PHE A 69 4.107 10.711 7.484 1.00 50.00 C ATOM 1002 CG PHE A 69 3.469 9.897 8.585 1.00 50.00 C ATOM 1003 CD1 PHE A 69 2.096 9.625 8.552 1.00 50.00 C ATOM 1004 CD2 PHE A 69 4.252 9.417 9.641 1.00 50.00 C ATOM 1005 CE1 PHE A 69 1.507 8.873 9.576 1.00 50.00 C ATOM 1006 CE2 PHE A 69 3.662 8.666 10.665 1.00 50.00 C ATOM 1007 CZ PHE A 69 2.290 8.393 10.632 1.00 50.00 C ATOM 0 H PHE A 69 4.700 8.449 5.994 1.00 50.00 H new ATOM 0 HA PHE A 69 2.539 10.555 5.966 1.00 50.00 H new ATOM 0 HB2 PHE A 69 5.191 10.597 7.518 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.893 11.769 7.632 1.00 50.00 H new ATOM 0 HD1 PHE A 69 1.491 9.995 7.737 1.00 50.00 H new ATOM 0 HD2 PHE A 69 5.311 9.626 9.666 1.00 50.00 H new ATOM 0 HE1 PHE A 69 0.448 8.663 9.551 1.00 50.00 H new ATOM 0 HE2 PHE A 69 4.266 8.297 11.481 1.00 50.00 H new ATOM 0 HZ PHE A 69 1.836 7.812 11.421 1.00 50.00 H new ATOM 1017 N VAL A 70 3.781 11.630 4.129 1.00 50.00 N ATOM 1018 CA VAL A 70 4.545 12.264 3.018 1.00 50.00 C ATOM 1019 C VAL A 70 5.414 13.397 3.566 1.00 50.00 C ATOM 1020 O VAL A 70 5.273 14.542 3.184 1.00 50.00 O ATOM 1021 CB VAL A 70 3.484 12.808 2.063 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.147 13.715 1.024 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.791 11.643 1.353 1.00 50.00 C ATOM 0 H VAL A 70 2.781 11.830 4.140 1.00 50.00 H new ATOM 0 HA VAL A 70 5.213 11.563 2.518 1.00 50.00 H new ATOM 0 HB VAL A 70 2.748 13.380 2.628 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.389 14.103 0.343 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.641 14.546 1.528 1.00 50.00 H new ATOM 0 HG13 VAL A 70 4.884 13.144 0.460 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.034 12.031 0.672 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.528 11.071 0.789 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.317 10.997 2.092 1.00 50.00 H new ATOM 1033 N ALA A 71 6.315 13.088 4.460 1.00 50.00 N ATOM 1034 CA ALA A 71 7.195 14.148 5.030 1.00 50.00 C ATOM 1035 C ALA A 71 8.420 14.342 4.135 1.00 50.00 C ATOM 1036 O ALA A 71 9.546 14.213 4.569 1.00 50.00 O ATOM 1037 CB ALA A 71 7.612 13.621 6.403 1.00 50.00 C ATOM 0 H ALA A 71 6.479 12.148 4.820 1.00 50.00 H new ATOM 0 HA ALA A 71 6.693 15.113 5.102 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.264 14.347 6.889 1.00 50.00 H new ATOM 0 HB2 ALA A 71 6.725 13.462 7.016 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.145 12.677 6.284 1.00 50.00 H new ATOM 1043 N THR A 72 8.206 14.652 2.887 1.00 50.00 N ATOM 1044 CA THR A 72 9.356 14.852 1.962 1.00 50.00 C ATOM 1045 C THR A 72 9.055 15.983 0.976 1.00 50.00 C ATOM 1046 O THR A 72 7.938 16.449 0.873 1.00 50.00 O ATOM 1047 CB THR A 72 9.508 13.520 1.224 1.00 50.00 C ATOM 1048 OG1 THR A 72 8.941 12.480 2.009 1.00 50.00 O ATOM 1049 CG2 THR A 72 10.990 13.231 0.987 1.00 50.00 C ATOM 0 H THR A 72 7.285 14.776 2.467 1.00 50.00 H new ATOM 0 HA THR A 72 10.267 15.130 2.492 1.00 50.00 H new ATOM 0 HB THR A 72 8.994 13.575 0.264 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.036 11.626 1.538 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.096 12.282 0.461 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.425 14.029 0.386 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.507 13.175 1.945 1.00 50.00 H new ATOM 1057 N SER A 73 10.043 16.423 0.246 1.00 50.00 N ATOM 1058 CA SER A 73 9.814 17.519 -0.737 1.00 50.00 C ATOM 1059 C SER A 73 9.572 16.931 -2.130 1.00 50.00 C ATOM 1060 O SER A 73 9.233 17.632 -3.062 1.00 50.00 O ATOM 1061 CB SER A 73 11.102 18.342 -0.721 1.00 50.00 C ATOM 1062 OG SER A 73 12.136 17.584 -0.106 1.00 50.00 O ATOM 0 H SER A 73 10.999 16.071 0.288 1.00 50.00 H new ATOM 0 HA SER A 73 8.942 18.124 -0.488 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.388 18.611 -1.738 1.00 50.00 H new ATOM 0 HB3 SER A 73 10.945 19.273 -0.177 1.00 50.00 H new ATOM 0 HG SER A 73 12.964 18.108 -0.096 1.00 50.00 H new ATOM 1068 N SER A 74 9.745 15.644 -2.276 1.00 99.99 N ATOM 1069 CA SER A 74 9.527 15.008 -3.607 1.00 99.99 C ATOM 1070 C SER A 74 8.444 13.930 -3.510 1.00 99.99 C ATOM 1071 O SER A 74 8.270 13.133 -4.410 1.00 99.99 O ATOM 1072 CB SER A 74 10.872 14.385 -3.972 1.00 99.99 C ATOM 1073 OG SER A 74 10.999 13.126 -3.325 1.00 99.99 O ATOM 0 H SER A 74 10.028 15.007 -1.531 1.00 99.99 H new ATOM 0 HA SER A 74 9.192 15.725 -4.357 1.00 99.99 H new ATOM 0 HB2 SER A 74 10.947 14.260 -5.052 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.685 15.045 -3.670 1.00 99.99 H new ATOM 0 HG SER A 74 11.861 12.723 -3.559 1.00 99.99 H new ATOM 1079 N ALA A 75 7.711 13.901 -2.430 1.00 99.99 N ATOM 1080 CA ALA A 75 6.639 12.874 -2.293 1.00 99.99 C ATOM 1081 C ALA A 75 5.426 13.271 -3.133 1.00 99.99 C ATOM 1082 O ALA A 75 4.399 12.626 -3.100 1.00 99.99 O ATOM 1083 CB ALA A 75 6.272 12.862 -0.811 1.00 99.99 C ATOM 0 H ALA A 75 7.807 14.540 -1.641 1.00 99.99 H new ATOM 0 HA ALA A 75 6.968 11.893 -2.636 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.486 12.127 -0.637 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.150 12.601 -0.221 1.00 99.99 H new ATOM 0 HB3 ALA A 75 5.917 13.849 -0.516 1.00 99.99 H new ATOM 1089 N ASN A 76 5.540 14.326 -3.892 1.00 99.99 N ATOM 1090 CA ASN A 76 4.404 14.759 -4.735 1.00 99.99 C ATOM 1091 C ASN A 76 4.405 13.961 -6.035 1.00 99.99 C ATOM 1092 O ASN A 76 3.824 14.365 -7.024 1.00 99.99 O ATOM 1093 CB ASN A 76 4.650 16.243 -5.009 1.00 99.99 C ATOM 1094 CG ASN A 76 4.963 16.961 -3.694 1.00 99.99 C ATOM 1095 OD1 ASN A 76 4.321 16.722 -2.691 1.00 99.99 O ATOM 1096 ND2 ASN A 76 5.929 17.837 -3.657 1.00 99.99 N ATOM 0 H ASN A 76 6.377 14.905 -3.961 1.00 99.99 H new ATOM 0 HA ASN A 76 3.438 14.598 -4.255 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.479 16.362 -5.707 1.00 99.99 H new ATOM 0 HB3 ASN A 76 3.772 16.687 -5.478 1.00 99.99 H new ATOM 0 HD21 ASN A 76 6.145 18.321 -2.786 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.468 18.038 -4.499 1.00 99.99 H new ATOM 1103 N SER A 77 5.055 12.830 -6.044 1.00 99.99 N ATOM 1104 CA SER A 77 5.095 12.011 -7.276 1.00 99.99 C ATOM 1105 C SER A 77 4.536 10.622 -6.981 1.00 99.99 C ATOM 1106 O SER A 77 4.033 10.365 -5.903 1.00 99.99 O ATOM 1107 CB SER A 77 6.572 11.930 -7.656 1.00 99.99 C ATOM 1108 OG SER A 77 6.812 12.749 -8.791 1.00 99.99 O ATOM 0 H SER A 77 5.559 12.442 -5.247 1.00 99.99 H new ATOM 0 HA SER A 77 4.499 12.437 -8.083 1.00 99.99 H new ATOM 0 HB2 SER A 77 7.192 12.256 -6.821 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.847 10.898 -7.874 1.00 99.99 H new ATOM 0 HG SER A 77 7.760 12.700 -9.035 1.00 99.99 H new ATOM 1114 N LYS A 78 4.627 9.724 -7.920 1.00 99.99 N ATOM 1115 CA LYS A 78 4.110 8.352 -7.680 1.00 99.99 C ATOM 1116 C LYS A 78 4.907 7.708 -6.546 1.00 99.99 C ATOM 1117 O LYS A 78 5.909 7.059 -6.767 1.00 99.99 O ATOM 1118 CB LYS A 78 4.338 7.601 -8.993 1.00 99.99 C ATOM 1119 CG LYS A 78 3.030 7.545 -9.784 1.00 99.99 C ATOM 1120 CD LYS A 78 3.062 8.593 -10.899 1.00 99.99 C ATOM 1121 CE LYS A 78 2.815 7.913 -12.247 1.00 99.99 C ATOM 1122 NZ LYS A 78 1.590 8.563 -12.787 1.00 99.99 N ATOM 0 H LYS A 78 5.036 9.881 -8.841 1.00 99.99 H new ATOM 0 HA LYS A 78 3.059 8.340 -7.393 1.00 99.99 H new ATOM 0 HB2 LYS A 78 5.109 8.100 -9.580 1.00 99.99 H new ATOM 0 HB3 LYS A 78 4.695 6.592 -8.789 1.00 99.99 H new ATOM 0 HG2 LYS A 78 2.892 6.551 -10.209 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.184 7.729 -9.122 1.00 99.99 H new ATOM 0 HD2 LYS A 78 2.303 9.354 -10.719 1.00 99.99 H new ATOM 0 HD3 LYS A 78 4.026 9.101 -10.907 1.00 99.99 H new ATOM 0 HE2 LYS A 78 3.663 8.049 -12.919 1.00 99.99 H new ATOM 0 HE3 LYS A 78 2.672 6.839 -12.127 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 1.356 8.149 -13.712 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 0.798 8.412 -12.130 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 1.758 9.583 -12.897 1.00 99.99 H new ATOM 1136 N VAL A 79 4.472 7.893 -5.332 1.00 99.99 N ATOM 1137 CA VAL A 79 5.202 7.306 -4.184 1.00 99.99 C ATOM 1138 C VAL A 79 4.910 5.802 -4.101 1.00 99.99 C ATOM 1139 O VAL A 79 4.121 5.276 -4.863 1.00 99.99 O ATOM 1140 CB VAL A 79 4.640 8.038 -2.970 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.718 9.548 -3.206 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.179 7.632 -2.760 1.00 99.99 C ATOM 0 H VAL A 79 3.639 8.428 -5.088 1.00 99.99 H new ATOM 0 HA VAL A 79 6.284 7.413 -4.262 1.00 99.99 H new ATOM 0 HB VAL A 79 5.221 7.776 -2.086 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.317 10.073 -2.339 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.757 9.839 -3.358 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.136 9.809 -4.090 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.777 8.155 -1.892 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.598 7.895 -3.644 1.00 99.99 H new ATOM 0 HG23 VAL A 79 3.121 6.556 -2.594 1.00 99.99 H new ATOM 1152 N LEU A 80 5.536 5.100 -3.194 1.00 50.00 N ATOM 1153 CA LEU A 80 5.281 3.631 -3.092 1.00 50.00 C ATOM 1154 C LEU A 80 5.005 3.220 -1.641 1.00 50.00 C ATOM 1155 O LEU A 80 5.635 3.697 -0.719 1.00 50.00 O ATOM 1156 CB LEU A 80 6.565 2.972 -3.596 1.00 50.00 C ATOM 1157 CG LEU A 80 6.216 1.737 -4.427 1.00 50.00 C ATOM 1158 CD1 LEU A 80 7.414 1.350 -5.296 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.870 0.576 -3.492 1.00 50.00 C ATOM 0 H LEU A 80 6.208 5.475 -2.524 1.00 50.00 H new ATOM 0 HA LEU A 80 4.406 3.332 -3.670 1.00 50.00 H new ATOM 0 HB2 LEU A 80 7.136 3.679 -4.198 1.00 50.00 H new ATOM 0 HB3 LEU A 80 7.196 2.689 -2.753 1.00 50.00 H new ATOM 0 HG LEU A 80 5.361 1.959 -5.066 1.00 50.00 H new ATOM 0 HD11 LEU A 80 7.165 0.470 -5.888 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.663 2.176 -5.962 1.00 50.00 H new ATOM 0 HD13 LEU A 80 8.270 1.128 -4.658 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.621 -0.305 -4.083 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.726 0.355 -2.854 1.00 50.00 H new ATOM 0 HD23 LEU A 80 5.016 0.850 -2.872 1.00 50.00 H new ATOM 1171 N VAL A 81 4.066 2.334 -1.439 1.00 50.00 N ATOM 1172 CA VAL A 81 3.740 1.883 -0.054 1.00 50.00 C ATOM 1173 C VAL A 81 3.688 0.351 0.000 1.00 50.00 C ATOM 1174 O VAL A 81 3.752 -0.318 -1.011 1.00 50.00 O ATOM 1175 CB VAL A 81 2.362 2.474 0.248 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.323 2.952 1.698 1.00 50.00 C ATOM 1177 CG2 VAL A 81 2.089 3.660 -0.684 1.00 50.00 C ATOM 0 H VAL A 81 3.509 1.902 -2.176 1.00 50.00 H new ATOM 0 HA VAL A 81 4.487 2.206 0.671 1.00 50.00 H new ATOM 0 HB VAL A 81 1.601 1.710 0.091 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.342 3.374 1.916 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.512 2.110 2.364 1.00 50.00 H new ATOM 0 HG13 VAL A 81 3.087 3.714 1.851 1.00 50.00 H new ATOM 0 HG21 VAL A 81 1.106 4.077 -0.464 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.850 4.425 -0.531 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.116 3.322 -1.720 1.00 50.00 H new ATOM 1187 N GLU A 82 3.567 -0.209 1.175 1.00 50.00 N ATOM 1188 CA GLU A 82 3.507 -1.696 1.294 1.00 50.00 C ATOM 1189 C GLU A 82 2.393 -2.102 2.267 1.00 50.00 C ATOM 1190 O GLU A 82 2.166 -1.451 3.268 1.00 50.00 O ATOM 1191 CB GLU A 82 4.875 -2.106 1.841 1.00 50.00 C ATOM 1192 CG GLU A 82 5.977 -1.521 0.954 1.00 50.00 C ATOM 1193 CD GLU A 82 7.308 -2.199 1.280 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.632 -2.294 2.453 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.982 -2.614 0.351 1.00 50.00 O ATOM 0 H GLU A 82 3.507 0.299 2.057 1.00 50.00 H new ATOM 0 HA GLU A 82 3.289 -2.180 0.342 1.00 50.00 H new ATOM 0 HB2 GLU A 82 4.990 -1.750 2.865 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.956 -3.193 1.870 1.00 50.00 H new ATOM 0 HG2 GLU A 82 5.729 -1.669 -0.097 1.00 50.00 H new ATOM 0 HG3 GLU A 82 6.055 -0.446 1.115 1.00 50.00 H new ATOM 1202 N MET A 83 1.696 -3.170 1.984 1.00 50.00 N ATOM 1203 CA MET A 83 0.599 -3.603 2.893 1.00 50.00 C ATOM 1204 C MET A 83 0.386 -5.115 2.783 1.00 50.00 C ATOM 1205 O MET A 83 0.484 -5.687 1.718 1.00 50.00 O ATOM 1206 CB MET A 83 -0.635 -2.853 2.397 1.00 50.00 C ATOM 1207 CG MET A 83 -1.149 -1.921 3.496 1.00 50.00 C ATOM 1208 SD MET A 83 -0.516 -0.250 3.211 1.00 50.00 S ATOM 1209 CE MET A 83 -2.090 0.517 2.755 1.00 50.00 C ATOM 0 H MET A 83 1.840 -3.759 1.164 1.00 50.00 H new ATOM 0 HA MET A 83 0.818 -3.389 3.939 1.00 50.00 H new ATOM 0 HB2 MET A 83 -0.388 -2.277 1.505 1.00 50.00 H new ATOM 0 HB3 MET A 83 -1.414 -3.561 2.114 1.00 50.00 H new ATOM 0 HG2 MET A 83 -2.239 -1.913 3.501 1.00 50.00 H new ATOM 0 HG3 MET A 83 -0.828 -2.282 4.473 1.00 50.00 H new ATOM 0 HE1 MET A 83 -1.911 1.531 2.397 1.00 50.00 H new ATOM 0 HE2 MET A 83 -2.565 -0.067 1.967 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.744 0.550 3.626 1.00 50.00 H new ATOM 1219 N GLU A 84 0.099 -5.770 3.874 1.00 50.00 N ATOM 1220 CA GLU A 84 -0.112 -7.235 3.827 1.00 50.00 C ATOM 1221 C GLU A 84 -1.584 -7.577 4.085 1.00 50.00 C ATOM 1222 O GLU A 84 -1.917 -8.156 5.099 1.00 50.00 O ATOM 1223 CB GLU A 84 0.771 -7.780 4.944 1.00 50.00 C ATOM 1224 CG GLU A 84 2.192 -7.977 4.421 1.00 50.00 C ATOM 1225 CD GLU A 84 2.549 -9.464 4.456 1.00 50.00 C ATOM 1226 OE1 GLU A 84 1.640 -10.273 4.404 1.00 50.00 O ATOM 1227 OE2 GLU A 84 3.729 -9.767 4.534 1.00 50.00 O ATOM 0 H GLU A 84 0.002 -5.348 4.797 1.00 50.00 H new ATOM 0 HA GLU A 84 0.137 -7.661 2.855 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.775 -7.090 5.788 1.00 50.00 H new ATOM 0 HB3 GLU A 84 0.372 -8.727 5.308 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.272 -7.597 3.402 1.00 50.00 H new ATOM 0 HG3 GLU A 84 2.896 -7.409 5.029 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.416 -7.206 3.150 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.871 -7.478 3.270 1.00 50.00 C ATOM 1236 C PRO A 85 -4.157 -8.970 3.070 1.00 50.00 C ATOM 1237 O PRO A 85 -3.393 -9.670 2.438 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.482 -6.653 2.141 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.383 -6.496 1.140 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.086 -6.504 1.906 1.00 50.00 C ATOM 0 HA PRO A 85 -4.275 -7.221 4.249 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.344 -7.158 1.705 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.828 -5.685 2.502 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.406 -7.307 0.412 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.497 -5.565 0.585 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.299 -7.018 1.354 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.730 -5.492 2.100 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.260 -9.401 3.620 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.668 -10.824 3.505 1.00 50.00 C ATOM 1250 C PRO A 86 -6.140 -11.132 2.082 1.00 50.00 C ATOM 1251 O PRO A 86 -6.438 -10.241 1.311 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.820 -10.946 4.499 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.369 -9.561 4.626 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.223 -8.610 4.395 1.00 50.00 C ATOM 0 HA PRO A 86 -4.856 -11.521 3.712 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.580 -11.640 4.140 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.473 -11.323 5.461 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -8.163 -9.393 3.898 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.804 -9.408 5.613 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.544 -7.723 3.848 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.793 -8.266 5.336 1.00 50.00 H new ATOM 1262 N PHE A 87 -6.213 -12.386 1.727 1.00 50.00 N ATOM 1263 CA PHE A 87 -6.670 -12.745 0.349 1.00 50.00 C ATOM 1264 C PHE A 87 -8.179 -12.527 0.220 1.00 50.00 C ATOM 1265 O PHE A 87 -8.941 -12.844 1.112 1.00 50.00 O ATOM 1266 CB PHE A 87 -6.325 -14.229 0.168 1.00 50.00 C ATOM 1267 CG PHE A 87 -6.431 -14.943 1.492 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -7.689 -15.201 2.049 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -5.271 -15.336 2.167 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -7.785 -15.854 3.282 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -5.366 -15.991 3.399 1.00 50.00 C ATOM 1272 CZ PHE A 87 -6.624 -16.250 3.958 1.00 50.00 C ATOM 0 H PHE A 87 -5.978 -13.176 2.327 1.00 50.00 H new ATOM 0 HA PHE A 87 -6.189 -12.128 -0.410 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -7.001 -14.683 -0.556 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.316 -14.331 -0.231 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -8.584 -14.896 1.527 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -4.301 -15.134 1.737 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -8.755 -16.053 3.713 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -4.470 -16.297 3.919 1.00 50.00 H new ATOM 0 HZ PHE A 87 -6.699 -16.755 4.910 1.00 50.00 H new ATOM 1282 N GLY A 88 -8.616 -11.986 -0.884 1.00 50.00 N ATOM 1283 CA GLY A 88 -10.073 -11.744 -1.072 1.00 50.00 C ATOM 1284 C GLY A 88 -10.312 -10.253 -1.317 1.00 50.00 C ATOM 1285 O GLY A 88 -9.470 -9.561 -1.854 1.00 50.00 O ATOM 0 H GLY A 88 -8.025 -11.701 -1.665 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -10.444 -12.327 -1.915 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -10.624 -12.072 -0.191 1.00 50.00 H new ATOM 1289 N ASP A 89 -11.451 -9.751 -0.925 1.00 50.00 N ATOM 1290 CA ASP A 89 -11.736 -8.303 -1.136 1.00 50.00 C ATOM 1291 C ASP A 89 -11.314 -7.501 0.098 1.00 50.00 C ATOM 1292 O ASP A 89 -11.552 -7.901 1.221 1.00 50.00 O ATOM 1293 CB ASP A 89 -13.249 -8.220 -1.339 1.00 50.00 C ATOM 1294 CG ASP A 89 -13.615 -8.824 -2.697 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.832 -9.608 -3.205 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -14.674 -8.490 -3.203 1.00 50.00 O ATOM 0 H ASP A 89 -12.195 -10.279 -0.469 1.00 50.00 H new ATOM 0 HA ASP A 89 -11.191 -7.893 -1.986 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -13.764 -8.754 -0.541 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -13.577 -7.182 -1.290 1.00 50.00 H new ATOM 1301 N SER A 90 -10.687 -6.374 -0.100 1.00 50.00 N ATOM 1302 CA SER A 90 -10.252 -5.550 1.064 1.00 50.00 C ATOM 1303 C SER A 90 -10.698 -4.098 0.881 1.00 50.00 C ATOM 1304 O SER A 90 -10.528 -3.517 -0.173 1.00 50.00 O ATOM 1305 CB SER A 90 -8.725 -5.644 1.070 1.00 50.00 C ATOM 1306 OG SER A 90 -8.312 -6.639 0.142 1.00 50.00 O ATOM 0 H SER A 90 -10.457 -5.988 -1.016 1.00 50.00 H new ATOM 0 HA SER A 90 -10.686 -5.900 2.001 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.289 -4.681 0.806 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.368 -5.892 2.070 1.00 50.00 H new ATOM 0 HG SER A 90 -7.906 -6.209 -0.640 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.265 -3.504 1.896 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.715 -2.092 1.770 1.00 50.00 C ATOM 1314 C TYR A 91 -10.602 -1.147 2.219 1.00 50.00 C ATOM 1315 O TYR A 91 -10.427 -0.888 3.394 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.927 -1.976 2.693 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.169 -1.781 1.858 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.266 -0.685 0.993 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.222 -2.698 1.947 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.415 -0.506 0.216 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.373 -2.520 1.171 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.470 -1.423 0.305 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.604 -1.246 -0.462 1.00 49.57 O ATOM 0 H TYR A 91 -11.435 -3.936 2.804 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.964 -1.826 0.743 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -13.022 -2.874 3.303 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.799 -1.137 3.378 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.453 0.023 0.925 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.147 -3.543 2.615 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -15.489 0.339 -0.452 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.186 -3.228 1.240 1.00 50.00 H new ATOM 0 HH TYR A 91 -18.238 -1.971 -0.281 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.844 -0.631 1.292 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.745 0.293 1.663 1.00 50.00 C ATOM 1335 C ILE A 92 -9.163 1.738 1.379 1.00 50.00 C ATOM 1336 O ILE A 92 -9.410 2.110 0.249 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.576 -0.114 0.769 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -8.070 -0.319 -0.666 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.962 -1.417 1.286 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.005 0.172 -1.648 1.00 50.00 C ATOM 0 H ILE A 92 -9.941 -0.812 0.293 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.488 0.237 2.721 1.00 50.00 H new ATOM 0 HB ILE A 92 -6.823 0.674 0.784 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -8.283 -1.374 -0.841 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -9.002 0.224 -0.822 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -6.128 -1.705 0.646 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -6.604 -1.271 2.305 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -7.716 -2.204 1.275 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -7.357 0.026 -2.669 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -6.814 1.232 -1.478 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -6.084 -0.391 -1.498 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.250 2.556 2.392 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.659 3.973 2.168 1.00 50.00 C ATOM 1354 C VAL A 93 -8.545 4.929 2.602 1.00 50.00 C ATOM 1355 O VAL A 93 -8.006 4.821 3.686 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.901 4.169 3.038 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.473 5.567 2.804 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.952 3.121 2.668 1.00 50.00 C ATOM 0 H VAL A 93 -9.057 2.306 3.362 1.00 50.00 H new ATOM 0 HA VAL A 93 -9.858 4.180 1.116 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.630 4.059 4.088 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.358 5.706 3.424 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.725 6.315 3.066 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -11.744 5.678 1.754 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.838 3.260 3.288 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.223 3.232 1.618 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.545 2.123 2.834 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.200 5.869 1.764 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.127 6.839 2.127 1.00 50.00 C ATOM 1370 C VAL A 94 -7.743 8.208 2.426 1.00 50.00 C ATOM 1371 O VAL A 94 -8.008 8.987 1.531 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.224 6.913 0.896 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -4.945 7.674 1.246 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.864 5.496 0.443 1.00 50.00 C ATOM 0 H VAL A 94 -8.615 6.007 0.843 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.574 6.535 3.016 1.00 50.00 H new ATOM 0 HB VAL A 94 -6.747 7.431 0.093 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.301 7.727 0.368 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.199 8.683 1.571 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.421 7.156 2.049 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.220 5.547 -0.435 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.341 4.979 1.247 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.775 4.951 0.194 1.00 50.00 H new ATOM 1384 N GLY A 95 -7.975 8.507 3.675 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.578 9.825 4.024 1.00 50.00 C ATOM 1386 C GLY A 95 -8.202 10.198 5.458 1.00 50.00 C ATOM 1387 O GLY A 95 -7.739 9.376 6.223 1.00 50.00 O ATOM 0 H GLY A 95 -7.774 7.897 4.467 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.226 10.592 3.334 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.662 9.779 3.922 1.00 50.00 H new ATOM 1391 N MET A 96 -8.395 11.436 5.828 1.00 50.00 N ATOM 1392 CA MET A 96 -8.047 11.862 7.215 1.00 50.00 C ATOM 1393 C MET A 96 -9.319 12.093 8.035 1.00 50.00 C ATOM 1394 O MET A 96 -9.351 11.858 9.226 1.00 50.00 O ATOM 1395 CB MET A 96 -7.275 13.171 7.042 1.00 50.00 C ATOM 1396 CG MET A 96 -8.204 14.241 6.468 1.00 50.00 C ATOM 1397 SD MET A 96 -7.361 15.843 6.481 1.00 50.00 S ATOM 1398 CE MET A 96 -6.770 15.801 4.772 1.00 50.00 C ATOM 0 H MET A 96 -8.778 12.169 5.231 1.00 50.00 H new ATOM 0 HA MET A 96 -7.463 11.109 7.744 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.875 13.499 8.002 1.00 50.00 H new ATOM 0 HB3 MET A 96 -6.425 13.019 6.377 1.00 50.00 H new ATOM 0 HG2 MET A 96 -8.493 13.979 5.450 1.00 50.00 H new ATOM 0 HG3 MET A 96 -9.120 14.296 7.056 1.00 50.00 H new ATOM 0 HE1 MET A 96 -6.109 16.649 4.595 1.00 50.00 H new ATOM 0 HE2 MET A 96 -6.225 14.873 4.598 1.00 50.00 H new ATOM 0 HE3 MET A 96 -7.620 15.855 4.092 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.367 12.554 7.406 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.633 12.801 8.153 1.00 50.00 C ATOM 1410 C GLY A 97 -12.668 13.420 7.212 1.00 50.00 C ATOM 1411 O GLY A 97 -13.706 12.845 6.950 1.00 50.00 O ATOM 0 H GLY A 97 -10.401 12.770 6.410 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -12.013 11.866 8.565 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.447 13.468 8.995 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.397 14.591 6.704 1.00 50.00 N ATOM 1416 CA ASP A 98 -13.370 15.247 5.781 1.00 50.00 C ATOM 1417 C ASP A 98 -13.534 14.411 4.506 1.00 50.00 C ATOM 1418 O ASP A 98 -14.140 13.357 4.522 1.00 50.00 O ATOM 1419 CB ASP A 98 -12.760 16.614 5.462 1.00 50.00 C ATOM 1420 CG ASP A 98 -11.265 16.457 5.171 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -10.521 16.224 6.109 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -10.890 16.575 4.017 1.00 50.00 O ATOM 0 H ASP A 98 -11.546 15.122 6.887 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.361 15.343 6.224 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -13.263 17.056 4.602 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -12.908 17.294 6.301 1.00 50.00 H new ATOM 1427 N LYS A 99 -13.005 14.868 3.404 1.00 50.00 N ATOM 1428 CA LYS A 99 -13.140 14.095 2.141 1.00 50.00 C ATOM 1429 C LYS A 99 -12.127 12.947 2.114 1.00 50.00 C ATOM 1430 O LYS A 99 -10.936 13.153 2.237 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.843 15.100 1.027 1.00 50.00 C ATOM 1432 CG LYS A 99 -14.117 15.874 0.684 1.00 50.00 C ATOM 1433 CD LYS A 99 -15.070 14.969 -0.099 1.00 50.00 C ATOM 1434 CE LYS A 99 -16.514 15.415 0.145 1.00 50.00 C ATOM 1435 NZ LYS A 99 -17.245 15.046 -1.099 1.00 50.00 N ATOM 0 H LYS A 99 -12.486 15.743 3.325 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.129 13.649 2.033 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -12.060 15.789 1.344 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -12.472 14.580 0.144 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -14.599 16.224 1.597 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -13.871 16.757 0.094 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.839 15.014 -1.163 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -14.941 13.932 0.211 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -16.940 14.916 1.016 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -16.570 16.487 0.333 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -18.244 15.320 -1.009 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -16.822 15.541 -1.910 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -17.180 14.019 -1.248 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.592 11.738 1.956 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.658 10.578 1.924 1.00 0.00 C ATOM 1451 C GLN A 100 -11.973 9.682 0.720 1.00 0.00 C ATOM 1452 O GLN A 100 -13.092 9.605 0.263 1.00 0.00 O ATOM 1453 CB GLN A 100 -11.888 9.833 3.243 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.387 9.725 3.525 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.025 8.805 2.488 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -13.820 7.607 2.511 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.796 9.316 1.572 1.00 0.00 N ATOM 0 H GLN A 100 -13.579 11.504 1.848 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.618 10.887 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.446 8.838 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.393 10.359 4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.554 9.333 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.849 10.712 3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.968 10.321 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.228 8.711 0.874 1.00 0.00 H new ATOM 1466 N ILE A 101 -10.987 9.019 0.192 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.225 8.138 -0.987 1.00 0.00 C ATOM 1468 C ILE A 101 -11.263 6.672 -0.550 1.00 0.00 C ATOM 1469 O ILE A 101 -10.248 6.082 -0.233 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.038 8.387 -1.916 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -10.079 9.832 -2.419 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -10.113 7.432 -3.108 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -8.672 10.271 -2.828 1.00 0.00 C ATOM 0 H ILE A 101 -10.023 9.047 0.525 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.176 8.351 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.109 8.216 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.758 9.913 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -10.464 10.489 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.266 7.610 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.085 6.402 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.042 7.602 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.702 11.300 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.006 10.205 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.304 9.621 -3.622 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.425 6.077 -0.529 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.521 4.650 -0.110 1.00 0.00 C ATOM 1487 C ASN A 102 -12.553 3.739 -1.340 1.00 0.00 C ATOM 1488 O ASN A 102 -13.310 3.956 -2.266 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.834 4.550 0.664 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.010 4.740 -0.294 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.306 5.846 -0.701 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.700 3.699 -0.676 1.00 0.00 N ATOM 0 H ASN A 102 -13.310 6.516 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.668 4.340 0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.905 3.580 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.864 5.307 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.486 3.815 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.453 2.770 -0.335 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.738 2.723 -1.355 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.721 1.797 -2.525 1.00 0.00 C ATOM 1501 C HIS A 103 -11.897 0.351 -2.058 1.00 0.00 C ATOM 1502 O HIS A 103 -11.680 0.028 -0.906 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.345 1.990 -3.162 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.461 2.941 -4.319 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -11.455 3.904 -4.384 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.720 3.090 -5.465 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -11.288 4.583 -5.533 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -10.243 4.127 -6.230 1.00 0.00 N ATOM 0 H HIS A 103 -11.082 2.492 -0.609 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.529 2.004 -3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.642 2.380 -2.425 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.952 1.032 -3.502 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.181 4.068 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.861 2.492 -5.732 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.921 5.397 -5.853 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.291 -0.523 -2.943 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.482 -1.948 -2.550 1.00 0.00 C ATOM 1518 C HIS A 104 -11.621 -2.857 -3.430 1.00 0.00 C ATOM 1519 O HIS A 104 -12.067 -3.365 -4.439 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.967 -2.228 -2.781 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.379 -1.680 -4.120 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -14.458 -2.477 -5.251 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.738 -0.419 -4.524 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -14.852 -1.693 -6.272 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -15.037 -0.429 -5.883 1.00 0.00 N ATOM 0 H HIS A 104 -12.489 -0.312 -3.921 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.189 -2.135 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.156 -3.301 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -14.562 -1.770 -1.990 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -14.255 -3.475 -5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.782 0.450 -3.884 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -15.000 -2.044 -7.283 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.388 -3.067 -3.055 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.501 -3.944 -3.872 1.00 0.00 C ATOM 1535 C TRP A 105 -10.189 -5.286 -4.136 1.00 0.00 C ATOM 1536 O TRP A 105 -10.196 -6.167 -3.300 1.00 0.00 O ATOM 1537 CB TRP A 105 -8.245 -4.140 -3.023 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.436 -5.271 -3.577 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -6.568 -6.025 -2.865 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -7.402 -5.787 -4.941 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -6.004 -6.971 -3.702 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.486 -6.865 -4.991 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -8.071 -5.430 -6.127 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -6.241 -7.563 -6.174 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -7.826 -6.131 -7.320 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -6.913 -7.194 -7.343 1.00 0.00 C ATOM 0 H TRP A 105 -9.957 -2.670 -2.220 1.00 0.00 H new ATOM 0 HA TRP A 105 -9.269 -3.509 -4.844 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.652 -3.225 -3.016 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -8.521 -4.349 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.350 -5.908 -1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.316 -7.662 -3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -8.777 -4.613 -6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -5.537 -8.382 -6.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -8.344 -5.849 -8.225 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -6.729 -7.728 -8.264 1.00 0.00 H new ATOM 1557 N HIS A 106 -10.769 -5.445 -5.294 1.00 0.00 N ATOM 1558 CA HIS A 106 -11.459 -6.727 -5.613 1.00 0.00 C ATOM 1559 C HIS A 106 -10.607 -7.561 -6.576 1.00 0.00 C ATOM 1560 O HIS A 106 -10.501 -7.257 -7.747 1.00 0.00 O ATOM 1561 CB HIS A 106 -12.772 -6.315 -6.277 1.00 0.00 C ATOM 1562 CG HIS A 106 -13.708 -7.493 -6.314 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -13.381 -8.713 -5.744 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -14.962 -7.654 -6.850 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -14.417 -9.547 -5.947 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -15.408 -8.951 -6.617 1.00 0.00 N ATOM 0 H HIS A 106 -10.795 -4.743 -6.033 1.00 0.00 H new ATOM 0 HA HIS A 106 -11.626 -7.339 -4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.228 -5.492 -5.726 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -12.583 -5.955 -7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -15.518 -6.890 -7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.444 -10.573 -5.610 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -16.300 -9.359 -6.897 1.00 0.00 H new ATOM 1574 N LYS A 107 -10.000 -8.608 -6.090 1.00 0.00 N ATOM 1575 CA LYS A 107 -9.157 -9.460 -6.978 1.00 0.00 C ATOM 1576 C LYS A 107 -10.035 -10.433 -7.769 1.00 0.00 C ATOM 1577 O LYS A 107 -9.582 -11.088 -8.686 1.00 0.00 O ATOM 1578 CB LYS A 107 -8.232 -10.223 -6.030 1.00 0.00 C ATOM 1579 CG LYS A 107 -9.065 -11.139 -5.131 1.00 0.00 C ATOM 1580 CD LYS A 107 -8.239 -12.370 -4.752 1.00 0.00 C ATOM 1581 CE LYS A 107 -8.678 -13.561 -5.605 1.00 0.00 C ATOM 1582 NZ LYS A 107 -7.900 -13.435 -6.870 1.00 0.00 N ATOM 0 H LYS A 107 -10.051 -8.911 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.600 -8.872 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.514 -10.811 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.659 -9.523 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.372 -10.603 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.975 -11.444 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.178 -12.171 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.371 -12.598 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.466 -14.505 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.751 -13.535 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.918 -14.341 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.323 -12.694 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.916 -13.182 -6.649 1.00 0.00 H new ATOM 1596 N ALA A 108 -11.289 -10.530 -7.422 1.00 0.00 N ATOM 1597 CA ALA A 108 -12.195 -11.459 -8.155 1.00 0.00 C ATOM 1598 C ALA A 108 -13.326 -10.676 -8.826 1.00 0.00 C ATOM 1599 O ALA A 108 -13.349 -9.461 -8.809 1.00 0.00 O ATOM 1600 CB ALA A 108 -12.753 -12.397 -7.084 1.00 0.00 C ATOM 0 H ALA A 108 -11.725 -10.006 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.676 -12.004 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.432 -13.114 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.932 -12.931 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.293 -11.816 -6.337 1.00 0.00 H new ATOM 1606 N GLY A 109 -14.267 -11.361 -9.417 1.00 0.00 N ATOM 1607 CA GLY A 109 -15.394 -10.655 -10.087 1.00 0.00 C ATOM 1608 C GLY A 109 -16.589 -11.601 -10.209 1.00 0.00 C ATOM 1609 O GLY A 109 -17.568 -11.474 -9.501 1.00 0.00 O ATOM 0 H GLY A 109 -14.303 -12.379 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.674 -9.770 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.086 -10.312 -11.075 1.00 0.00 H new ATOM 1613 N SER A 110 -16.517 -12.550 -11.102 1.00 0.00 N ATOM 1614 CA SER A 110 -17.651 -13.505 -11.268 1.00 0.00 C ATOM 1615 C SER A 110 -17.445 -14.730 -10.374 1.00 0.00 C ATOM 1616 O SER A 110 -16.340 -15.197 -10.189 1.00 0.00 O ATOM 1617 CB SER A 110 -17.618 -13.905 -12.743 1.00 0.00 C ATOM 1618 OG SER A 110 -16.885 -12.933 -13.476 1.00 0.00 O ATOM 0 H SER A 110 -15.723 -12.706 -11.723 1.00 0.00 H new ATOM 0 HA SER A 110 -18.608 -13.065 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.157 -14.886 -12.856 1.00 0.00 H new ATOM 0 HB3 SER A 110 -18.633 -13.983 -13.133 1.00 0.00 H new ATOM 0 HG SER A 110 -16.860 -13.187 -14.422 1.00 0.00 H new ATOM 1624 N THR A 111 -18.503 -15.254 -9.815 1.00 0.00 N ATOM 1625 CA THR A 111 -18.366 -16.448 -8.933 1.00 0.00 C ATOM 1626 C THR A 111 -19.748 -16.965 -8.524 1.00 0.00 C ATOM 1627 O THR A 111 -20.659 -16.867 -9.330 1.00 49.57 O ATOM 1628 CB THR A 111 -17.596 -15.950 -7.710 1.00 0.00 C ATOM 1629 OG1 THR A 111 -17.631 -16.945 -6.694 1.00 0.00 O ATOM 1630 CG2 THR A 111 -18.236 -14.664 -7.189 1.00 0.00 C ATOM 1631 OXT THR A 111 -19.871 -17.450 -7.411 1.00 49.57 O ATOM 0 H THR A 111 -19.455 -14.907 -9.931 1.00 0.00 H new ATOM 0 HA THR A 111 -17.854 -17.272 -9.430 1.00 0.00 H new ATOM 0 HB THR A 111 -16.561 -15.749 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 111 -18.561 -17.123 -6.442 1.00 0.00 H new ATOM 0 HG21 THR A 111 -17.685 -14.311 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 111 -18.209 -13.902 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 111 -19.271 -14.860 -6.909 1.00 0.00 H new TER 1639 THR A 111