USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 767 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 29 GLN : amide:sc= 2.21 K(o=6,f=-2.9!) USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 55 GLN : amide:sc= 1.17 K(o=6,f=3.1) USER MOD Set 1.4: A 61 SER OG : rot -43:sc= 1.7 USER MOD Set 1.5: A 92 GLN : amide:sc= 0.907 K(o=6,f=-3.8) USER MOD Set 2.1: A 2 SER OG : rot 47:sc= 1.75 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 149:sc= 2.4 (180deg=0) USER MOD Set 2.3: A 50 SER OG : rot -102:sc= 0.996 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0656 (180deg=0.00767) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 10 THR OG1 : rot 59:sc= 0.147 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= 1.24 (180deg=-0.519) USER MOD Single : A 21 TYR OH : rot 159:sc= 1.25 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.04) USER MOD Single : A 31 SER OG : rot -54:sc= 0.772 USER MOD Single : A 35 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.18) USER MOD Single : A 40 MET CE :methyl 171:sc= -0.0196 (180deg=-0.154) USER MOD Single : A 41 THR OG1 : rot -31:sc= 1.04 USER MOD Single : A 42 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 43 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.071) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 2.21 (180deg=2) USER MOD Single : A 51 TYR OH : rot -15:sc=-0.00349 USER MOD Single : A 52 CYS SG : rot -59:sc= 0.0732 USER MOD Single : A 53 GLN : amide:sc= 0.714 K(o=0.71,f=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.755 K(o=0.76,f=-2!) USER MOD Single : A 69 GLN : amide:sc= 1.15 K(o=1.2,f=-0.29) USER MOD Single : A 74 ASN : amide:sc= 0.531 K(o=0.53,f=-3.8!) USER MOD Single : A 75 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-1.5) USER MOD Single : A 76 THR OG1 : rot 99:sc= 1.29 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -63:sc= 1.31 USER MOD Single : A 94 GLN : amide:sc= 1.89 K(o=1.9,f=-6.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.172 -7.303 -17.452 1.00 0.00 N ATOM 2 CA MET A 1 87.659 -7.263 -16.049 1.00 0.00 C ATOM 3 C MET A 1 88.804 -7.122 -15.033 1.00 0.00 C ATOM 4 O MET A 1 89.963 -7.406 -15.342 1.00 0.00 O ATOM 5 CB MET A 1 86.859 -8.533 -15.748 1.00 0.00 C ATOM 6 CG MET A 1 85.376 -8.410 -16.061 1.00 0.00 C ATOM 7 SD MET A 1 85.001 -8.767 -17.789 1.00 0.00 S ATOM 8 CE MET A 1 84.786 -10.543 -17.730 1.00 0.00 C ATOM 0 H1 MET A 1 87.532 -7.875 -18.039 1.00 0.00 H new ATOM 0 H2 MET A 1 88.219 -6.336 -17.832 1.00 0.00 H new ATOM 0 H3 MET A 1 89.122 -7.726 -17.462 1.00 0.00 H new ATOM 0 HA MET A 1 87.013 -6.390 -15.956 1.00 0.00 H new ATOM 0 HB2 MET A 1 87.276 -9.359 -16.324 1.00 0.00 H new ATOM 0 HB3 MET A 1 86.979 -8.786 -14.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 84.816 -9.093 -15.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 85.040 -7.401 -15.821 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.549 -10.914 -18.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 85.706 -11.009 -17.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.972 -10.788 -17.048 1.00 0.00 H new ATOM 18 N SER A 2 88.470 -6.684 -13.821 1.00 0.00 N ATOM 19 CA SER A 2 89.468 -6.508 -12.766 1.00 0.00 C ATOM 20 C SER A 2 89.727 -7.823 -12.028 1.00 0.00 C ATOM 21 O SER A 2 89.147 -8.083 -10.971 1.00 0.00 O ATOM 22 CB SER A 2 89.011 -5.434 -11.774 1.00 0.00 C ATOM 23 OG SER A 2 87.761 -5.771 -11.196 1.00 0.00 O ATOM 0 H SER A 2 87.518 -6.445 -13.544 1.00 0.00 H new ATOM 0 HA SER A 2 90.399 -6.188 -13.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 89.758 -5.318 -10.989 1.00 0.00 H new ATOM 0 HB3 SER A 2 88.932 -4.474 -12.284 1.00 0.00 H new ATOM 0 HG SER A 2 87.778 -6.706 -10.903 1.00 0.00 H new ATOM 29 N ASP A 3 90.600 -8.650 -12.593 1.00 0.00 N ATOM 30 CA ASP A 3 90.941 -9.935 -11.992 1.00 0.00 C ATOM 31 C ASP A 3 92.328 -9.892 -11.345 1.00 0.00 C ATOM 32 O ASP A 3 93.220 -9.191 -11.825 1.00 0.00 O ATOM 33 CB ASP A 3 90.887 -11.042 -13.049 1.00 0.00 C ATOM 34 CG ASP A 3 90.218 -12.302 -12.533 1.00 0.00 C ATOM 35 OD1 ASP A 3 90.186 -12.495 -11.298 1.00 0.00 O ATOM 36 OD2 ASP A 3 89.718 -13.091 -13.362 1.00 0.00 O ATOM 0 H ASP A 3 91.085 -8.453 -13.468 1.00 0.00 H new ATOM 0 HA ASP A 3 90.210 -10.148 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 3 90.347 -10.679 -13.924 1.00 0.00 H new ATOM 0 HB3 ASP A 3 91.900 -11.279 -13.375 1.00 0.00 H new ATOM 41 N GLN A 4 92.488 -10.651 -10.256 1.00 0.00 N ATOM 42 CA GLN A 4 93.758 -10.722 -9.519 1.00 0.00 C ATOM 43 C GLN A 4 94.233 -9.335 -9.066 1.00 0.00 C ATOM 44 O GLN A 4 95.347 -8.912 -9.378 1.00 0.00 O ATOM 45 CB GLN A 4 94.840 -11.397 -10.373 1.00 0.00 C ATOM 46 CG GLN A 4 94.733 -12.915 -10.407 1.00 0.00 C ATOM 47 CD GLN A 4 94.467 -13.451 -11.800 1.00 0.00 C ATOM 48 OE1 GLN A 4 93.360 -13.335 -12.323 1.00 0.00 O ATOM 49 NE2 GLN A 4 95.477 -14.043 -12.411 1.00 0.00 N ATOM 0 H GLN A 4 91.747 -11.231 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 4 93.582 -11.322 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 4 94.778 -11.014 -11.392 1.00 0.00 H new ATOM 0 HB3 GLN A 4 95.821 -11.119 -9.987 1.00 0.00 H new ATOM 0 HG2 GLN A 4 95.657 -13.349 -10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 4 93.932 -13.234 -9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 4 96.381 -14.120 -11.945 1.00 0.00 H new ATOM 0 HE22 GLN A 4 95.353 -14.423 -13.349 1.00 0.00 H new ATOM 58 N GLU A 5 93.379 -8.638 -8.321 1.00 0.00 N ATOM 59 CA GLU A 5 93.707 -7.302 -7.829 1.00 0.00 C ATOM 60 C GLU A 5 94.596 -7.365 -6.586 1.00 0.00 C ATOM 61 O GLU A 5 94.476 -8.276 -5.766 1.00 0.00 O ATOM 62 CB GLU A 5 92.426 -6.523 -7.512 1.00 0.00 C ATOM 63 CG GLU A 5 92.172 -5.355 -8.454 1.00 0.00 C ATOM 64 CD GLU A 5 92.932 -4.102 -8.055 1.00 0.00 C ATOM 65 OE1 GLU A 5 94.184 -4.136 -8.075 1.00 0.00 O ATOM 66 OE2 GLU A 5 92.280 -3.090 -7.729 1.00 0.00 O ATOM 0 H GLU A 5 92.457 -8.975 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 5 94.259 -6.787 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 5 91.577 -7.205 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 5 92.482 -6.148 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 5 92.458 -5.641 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 5 91.104 -5.136 -8.474 1.00 0.00 H new ATOM 73 N ALA A 6 95.486 -6.388 -6.455 1.00 0.00 N ATOM 74 CA ALA A 6 96.399 -6.325 -5.317 1.00 0.00 C ATOM 75 C ALA A 6 96.189 -5.043 -4.509 1.00 0.00 C ATOM 76 O ALA A 6 95.168 -4.369 -4.654 1.00 0.00 O ATOM 77 CB ALA A 6 97.841 -6.424 -5.799 1.00 0.00 C ATOM 0 H ALA A 6 95.596 -5.626 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 6 96.186 -7.169 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 6 98.515 -6.376 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 6 97.986 -7.369 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 6 98.056 -5.598 -6.477 1.00 0.00 H new ATOM 83 N LYS A 7 97.155 -4.711 -3.660 1.00 0.00 N ATOM 84 CA LYS A 7 97.069 -3.509 -2.831 1.00 0.00 C ATOM 85 C LYS A 7 97.760 -2.324 -3.511 1.00 0.00 C ATOM 86 O LYS A 7 98.965 -2.361 -3.771 1.00 0.00 O ATOM 87 CB LYS A 7 97.695 -3.761 -1.455 1.00 0.00 C ATOM 88 CG LYS A 7 97.256 -2.764 -0.394 1.00 0.00 C ATOM 89 CD LYS A 7 95.972 -3.206 0.288 1.00 0.00 C ATOM 90 CE LYS A 7 95.228 -2.026 0.895 1.00 0.00 C ATOM 91 NZ LYS A 7 94.293 -2.452 1.971 1.00 0.00 N ATOM 0 H LYS A 7 98.007 -5.255 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 7 96.015 -3.265 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 7 97.435 -4.767 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 7 98.781 -3.726 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 7 98.045 -2.652 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 7 97.108 -1.786 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 7 95.330 -3.710 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 7 96.204 -3.931 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 7 95.947 -1.314 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 7 94.671 -1.508 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 93.806 -1.618 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 93.591 -3.112 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 94.827 -2.924 2.728 1.00 0.00 H new ATOM 105 N PRO A 8 97.000 -1.255 -3.815 1.00 0.00 N ATOM 106 CA PRO A 8 97.544 -0.057 -4.468 1.00 0.00 C ATOM 107 C PRO A 8 98.367 0.814 -3.516 1.00 0.00 C ATOM 108 O PRO A 8 97.834 1.687 -2.830 1.00 0.00 O ATOM 109 CB PRO A 8 96.290 0.684 -4.937 1.00 0.00 C ATOM 110 CG PRO A 8 95.220 0.270 -3.984 1.00 0.00 C ATOM 111 CD PRO A 8 95.550 -1.138 -3.559 1.00 0.00 C ATOM 0 HA PRO A 8 98.235 -0.309 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 8 96.439 1.764 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 8 96.032 0.415 -5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 8 95.187 0.938 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 8 94.240 0.313 -4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 8 95.315 -1.303 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 8 94.983 -1.872 -4.132 1.00 0.00 H new ATOM 119 N SER A 9 99.675 0.569 -3.483 1.00 0.00 N ATOM 120 CA SER A 9 100.583 1.327 -2.621 1.00 0.00 C ATOM 121 C SER A 9 100.852 2.721 -3.184 1.00 0.00 C ATOM 122 O SER A 9 100.758 3.720 -2.469 1.00 0.00 O ATOM 123 CB SER A 9 101.904 0.573 -2.455 1.00 0.00 C ATOM 124 OG SER A 9 102.291 -0.050 -3.669 1.00 0.00 O ATOM 0 H SER A 9 100.132 -0.150 -4.044 1.00 0.00 H new ATOM 0 HA SER A 9 100.103 1.439 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.683 1.264 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 9 101.801 -0.179 -1.673 1.00 0.00 H new ATOM 0 HG SER A 9 103.139 -0.524 -3.538 1.00 0.00 H new ATOM 130 N THR A 10 101.187 2.790 -4.470 1.00 0.00 N ATOM 131 CA THR A 10 101.468 4.067 -5.126 1.00 0.00 C ATOM 132 C THR A 10 100.185 4.727 -5.637 1.00 0.00 C ATOM 133 O THR A 10 99.975 4.850 -6.845 1.00 0.00 O ATOM 134 CB THR A 10 102.442 3.893 -6.309 1.00 0.00 C ATOM 135 OG1 THR A 10 101.972 2.860 -7.183 1.00 0.00 O ATOM 136 CG2 THR A 10 103.840 3.550 -5.816 1.00 0.00 C ATOM 0 H THR A 10 101.271 1.977 -5.080 1.00 0.00 H new ATOM 0 HA THR A 10 101.928 4.707 -4.373 1.00 0.00 H new ATOM 0 HB THR A 10 102.488 4.836 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 10 101.078 3.091 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 10 104.508 3.432 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 10 104.207 4.352 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 10 103.808 2.619 -5.249 1.00 0.00 H new ATOM 144 N GLU A 11 99.331 5.150 -4.711 1.00 0.00 N ATOM 145 CA GLU A 11 98.071 5.799 -5.064 1.00 0.00 C ATOM 146 C GLU A 11 97.741 6.926 -4.085 1.00 0.00 C ATOM 147 O GLU A 11 97.698 6.719 -2.875 1.00 0.00 O ATOM 148 CB GLU A 11 96.932 4.773 -5.082 1.00 0.00 C ATOM 149 CG GLU A 11 95.743 5.188 -5.936 1.00 0.00 C ATOM 150 CD GLU A 11 94.463 4.475 -5.546 1.00 0.00 C ATOM 151 OE1 GLU A 11 93.732 5.001 -4.678 1.00 0.00 O ATOM 152 OE2 GLU A 11 94.189 3.394 -6.106 1.00 0.00 O ATOM 0 H GLU A 11 99.488 5.055 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 11 98.181 6.230 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 11 97.318 3.823 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 11 96.592 4.604 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 11 95.596 6.264 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 11 95.964 4.982 -6.983 1.00 0.00 H new ATOM 159 N ASP A 12 97.511 8.123 -4.620 1.00 0.00 N ATOM 160 CA ASP A 12 97.186 9.281 -3.789 1.00 0.00 C ATOM 161 C ASP A 12 95.687 9.593 -3.825 1.00 0.00 C ATOM 162 O ASP A 12 95.100 9.979 -2.814 1.00 0.00 O ATOM 163 CB ASP A 12 97.987 10.501 -4.248 1.00 0.00 C ATOM 164 CG ASP A 12 99.275 10.672 -3.465 1.00 0.00 C ATOM 165 OD1 ASP A 12 99.250 11.361 -2.423 1.00 0.00 O ATOM 166 OD2 ASP A 12 100.307 10.118 -3.896 1.00 0.00 O ATOM 0 H ASP A 12 97.543 8.317 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 12 97.455 9.040 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 12 98.219 10.402 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 12 97.376 11.397 -4.138 1.00 0.00 H new ATOM 171 N LEU A 13 95.072 9.424 -4.994 1.00 0.00 N ATOM 172 CA LEU A 13 93.646 9.688 -5.155 1.00 0.00 C ATOM 173 C LEU A 13 92.981 8.600 -5.997 1.00 0.00 C ATOM 174 O LEU A 13 93.437 8.287 -7.098 1.00 0.00 O ATOM 175 CB LEU A 13 93.437 11.063 -5.801 1.00 0.00 C ATOM 176 CG LEU A 13 92.036 11.319 -6.370 1.00 0.00 C ATOM 177 CD1 LEU A 13 91.282 12.319 -5.508 1.00 0.00 C ATOM 178 CD2 LEU A 13 92.130 11.813 -7.805 1.00 0.00 C ATOM 0 H LEU A 13 95.540 9.106 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 13 93.182 9.684 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 13 93.654 11.831 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 13 94.164 11.182 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 13 91.484 10.379 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 13 90.291 12.487 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 13 91.185 11.927 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.829 13.261 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 13 91.128 11.990 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 92.700 12.742 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 13 92.630 11.062 -8.416 1.00 0.00 H new ATOM 190 N GLY A 14 91.903 8.022 -5.474 1.00 0.00 N ATOM 191 CA GLY A 14 91.195 6.976 -6.193 1.00 0.00 C ATOM 192 C GLY A 14 89.755 7.350 -6.504 1.00 0.00 C ATOM 193 O GLY A 14 88.828 6.777 -5.935 1.00 0.00 O ATOM 0 H GLY A 14 91.507 8.259 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 14 91.720 6.762 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 14 91.209 6.061 -5.601 1.00 0.00 H new ATOM 197 N ASP A 15 89.579 8.319 -7.408 1.00 0.00 N ATOM 198 CA ASP A 15 88.247 8.793 -7.816 1.00 0.00 C ATOM 199 C ASP A 15 87.434 9.313 -6.621 1.00 0.00 C ATOM 200 O ASP A 15 86.227 9.076 -6.526 1.00 0.00 O ATOM 201 CB ASP A 15 87.482 7.678 -8.537 1.00 0.00 C ATOM 202 CG ASP A 15 87.666 7.730 -10.040 1.00 0.00 C ATOM 203 OD1 ASP A 15 86.866 8.411 -10.714 1.00 0.00 O ATOM 204 OD2 ASP A 15 88.615 7.092 -10.543 1.00 0.00 O ATOM 0 H ASP A 15 90.349 8.796 -7.877 1.00 0.00 H new ATOM 0 HA ASP A 15 88.392 9.628 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 15 87.820 6.710 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 15 86.421 7.757 -8.301 1.00 0.00 H new ATOM 209 N LYS A 16 88.100 10.034 -5.723 1.00 0.00 N ATOM 210 CA LYS A 16 87.446 10.582 -4.535 1.00 0.00 C ATOM 211 C LYS A 16 86.792 11.935 -4.825 1.00 0.00 C ATOM 212 O LYS A 16 85.772 12.283 -4.231 1.00 0.00 O ATOM 213 CB LYS A 16 88.461 10.729 -3.398 1.00 0.00 C ATOM 214 CG LYS A 16 87.888 10.424 -2.023 1.00 0.00 C ATOM 215 CD LYS A 16 88.758 11.000 -0.919 1.00 0.00 C ATOM 216 CE LYS A 16 88.163 10.739 0.456 1.00 0.00 C ATOM 217 NZ LYS A 16 88.990 11.333 1.542 1.00 0.00 N ATOM 0 H LYS A 16 89.094 10.253 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 16 86.661 9.886 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.303 10.063 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.852 11.746 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 16 86.882 10.836 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 87.802 9.345 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 89.754 10.562 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 16 88.873 12.074 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 16 87.155 11.153 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 16 88.074 9.664 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 88.550 11.132 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 89.944 10.920 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 89.054 12.362 1.406 1.00 0.00 H new ATOM 231 N LYS A 17 87.387 12.694 -5.740 1.00 0.00 N ATOM 232 CA LYS A 17 86.862 14.010 -6.103 1.00 0.00 C ATOM 233 C LYS A 17 86.944 14.238 -7.613 1.00 0.00 C ATOM 234 O LYS A 17 87.818 13.683 -8.281 1.00 0.00 O ATOM 235 CB LYS A 17 87.636 15.107 -5.369 1.00 0.00 C ATOM 236 CG LYS A 17 86.767 15.967 -4.465 1.00 0.00 C ATOM 237 CD LYS A 17 87.390 17.335 -4.227 1.00 0.00 C ATOM 238 CE LYS A 17 86.734 18.408 -5.084 1.00 0.00 C ATOM 239 NZ LYS A 17 87.734 19.197 -5.854 1.00 0.00 N ATOM 0 H LYS A 17 88.231 12.423 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 17 85.814 14.048 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 17 88.423 14.647 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 17 88.126 15.747 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 17 85.781 16.088 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 86.622 15.461 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 17 87.294 17.601 -3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 17 88.456 17.293 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 17 86.032 17.941 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 17 86.157 19.078 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 87.459 20.200 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 88.670 19.095 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 87.773 18.848 -6.833 1.00 0.00 H new ATOM 253 N GLU A 18 86.021 15.053 -8.131 1.00 0.00 N ATOM 254 CA GLU A 18 85.965 15.385 -9.562 1.00 0.00 C ATOM 255 C GLU A 18 85.772 14.138 -10.435 1.00 0.00 C ATOM 256 O GLU A 18 86.557 13.871 -11.343 1.00 0.00 O ATOM 257 CB GLU A 18 87.229 16.140 -9.989 1.00 0.00 C ATOM 258 CG GLU A 18 86.965 17.552 -10.494 1.00 0.00 C ATOM 259 CD GLU A 18 86.482 18.484 -9.399 1.00 0.00 C ATOM 260 OE1 GLU A 18 87.292 18.831 -8.510 1.00 0.00 O ATOM 261 OE2 GLU A 18 85.293 18.867 -9.429 1.00 0.00 O ATOM 0 H GLU A 18 85.293 15.501 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 18 85.097 16.028 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 18 87.914 16.190 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 18 87.732 15.573 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 87.879 17.954 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 86.221 17.516 -11.289 1.00 0.00 H new ATOM 268 N GLY A 19 84.709 13.386 -10.159 1.00 0.00 N ATOM 269 CA GLY A 19 84.431 12.183 -10.926 1.00 0.00 C ATOM 270 C GLY A 19 82.959 12.040 -11.279 1.00 0.00 C ATOM 271 O GLY A 19 82.088 12.417 -10.494 1.00 0.00 O ATOM 0 H GLY A 19 84.036 13.588 -9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 85.021 12.197 -11.843 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.750 11.311 -10.355 1.00 0.00 H new ATOM 275 N GLU A 20 82.680 11.490 -12.457 1.00 0.00 N ATOM 276 CA GLU A 20 81.302 11.300 -12.907 1.00 0.00 C ATOM 277 C GLU A 20 80.894 9.828 -12.818 1.00 0.00 C ATOM 278 O GLU A 20 81.187 9.034 -13.713 1.00 0.00 O ATOM 279 CB GLU A 20 81.133 11.802 -14.348 1.00 0.00 C ATOM 280 CG GLU A 20 81.381 13.296 -14.518 1.00 0.00 C ATOM 281 CD GLU A 20 81.787 13.660 -15.933 1.00 0.00 C ATOM 282 OE1 GLU A 20 80.891 13.948 -16.753 1.00 0.00 O ATOM 283 OE2 GLU A 20 83.003 13.658 -16.219 1.00 0.00 O ATOM 0 H GLU A 20 83.388 11.168 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 20 80.653 11.879 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 20 81.818 11.255 -14.995 1.00 0.00 H new ATOM 0 HB3 GLU A 20 80.123 11.571 -14.686 1.00 0.00 H new ATOM 0 HG2 GLU A 20 80.477 13.844 -14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 20 82.162 13.612 -13.827 1.00 0.00 H new ATOM 290 N TYR A 21 80.220 9.473 -11.727 1.00 0.00 N ATOM 291 CA TYR A 21 79.769 8.096 -11.512 1.00 0.00 C ATOM 292 C TYR A 21 78.455 8.064 -10.733 1.00 0.00 C ATOM 293 O TYR A 21 78.163 8.966 -9.949 1.00 0.00 O ATOM 294 CB TYR A 21 80.845 7.281 -10.773 1.00 0.00 C ATOM 295 CG TYR A 21 81.660 8.074 -9.769 1.00 0.00 C ATOM 296 CD1 TYR A 21 81.084 8.558 -8.600 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.008 8.327 -9.988 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.828 9.275 -7.683 1.00 0.00 C ATOM 299 CE2 TYR A 21 83.758 9.042 -9.075 1.00 0.00 C ATOM 300 CZ TYR A 21 83.164 9.514 -7.924 1.00 0.00 C ATOM 301 OH TYR A 21 83.906 10.228 -7.012 1.00 0.00 O ATOM 0 H TYR A 21 79.973 10.118 -10.977 1.00 0.00 H new ATOM 0 HA TYR A 21 79.599 7.645 -12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.362 6.452 -10.255 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.522 6.847 -11.509 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.038 8.371 -8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 21 83.478 7.958 -10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 21 81.365 9.647 -6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 21 84.805 9.230 -9.262 1.00 0.00 H new ATOM 0 HH TYR A 21 84.858 10.033 -7.140 1.00 0.00 H new ATOM 311 N ILE A 22 77.662 7.024 -10.964 1.00 0.00 N ATOM 312 CA ILE A 22 76.379 6.876 -10.286 1.00 0.00 C ATOM 313 C ILE A 22 76.505 5.944 -9.080 1.00 0.00 C ATOM 314 O ILE A 22 77.277 4.983 -9.098 1.00 0.00 O ATOM 315 CB ILE A 22 75.284 6.331 -11.236 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.662 6.555 -12.710 1.00 0.00 C ATOM 317 CG2 ILE A 22 73.947 6.983 -10.919 1.00 0.00 C ATOM 318 CD1 ILE A 22 75.411 7.965 -13.213 1.00 0.00 C ATOM 0 H ILE A 22 77.884 6.271 -11.615 1.00 0.00 H new ATOM 0 HA ILE A 22 76.084 7.870 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 22 75.198 5.256 -11.078 1.00 0.00 H new ATOM 0 HG12 ILE A 22 76.718 6.317 -12.842 1.00 0.00 H new ATOM 0 HG13 ILE A 22 75.098 5.856 -13.328 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.183 6.593 -11.592 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.669 6.761 -9.888 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.029 8.062 -11.049 1.00 0.00 H new ATOM 0 HD11 ILE A 22 75.705 8.035 -14.260 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.352 8.202 -13.117 1.00 0.00 H new ATOM 0 HD13 ILE A 22 75.996 8.671 -12.624 1.00 0.00 H new ATOM 330 N LYS A 23 75.741 6.231 -8.031 1.00 0.00 N ATOM 331 CA LYS A 23 75.774 5.417 -6.815 1.00 0.00 C ATOM 332 C LYS A 23 74.951 4.136 -6.977 1.00 0.00 C ATOM 333 O LYS A 23 73.852 4.015 -6.436 1.00 0.00 O ATOM 334 CB LYS A 23 75.261 6.225 -5.616 1.00 0.00 C ATOM 335 CG LYS A 23 75.887 7.608 -5.488 1.00 0.00 C ATOM 336 CD LYS A 23 75.006 8.544 -4.675 1.00 0.00 C ATOM 337 CE LYS A 23 75.831 9.595 -3.950 1.00 0.00 C ATOM 338 NZ LYS A 23 74.972 10.572 -3.224 1.00 0.00 N ATOM 0 H LYS A 23 75.093 7.018 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 23 76.811 5.132 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 23 74.180 6.333 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 23 75.455 5.663 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 23 76.865 7.524 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 23 76.049 8.029 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 23 74.288 9.034 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 23 74.432 7.967 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 23 76.502 9.106 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 23 76.456 10.125 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 75.572 11.272 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 74.349 11.057 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 74.394 10.070 -2.520 1.00 0.00 H new ATOM 352 N LEU A 24 75.493 3.186 -7.733 1.00 0.00 N ATOM 353 CA LEU A 24 74.825 1.908 -7.967 1.00 0.00 C ATOM 354 C LEU A 24 74.969 0.989 -6.755 1.00 0.00 C ATOM 355 O LEU A 24 76.002 0.342 -6.571 1.00 0.00 O ATOM 356 CB LEU A 24 75.402 1.230 -9.211 1.00 0.00 C ATOM 357 CG LEU A 24 74.528 1.316 -10.463 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.324 1.865 -11.635 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.949 -0.049 -10.799 1.00 0.00 C ATOM 0 H LEU A 24 76.397 3.277 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 24 73.764 2.102 -8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.371 1.677 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 75.580 0.179 -8.983 1.00 0.00 H new ATOM 0 HG LEU A 24 73.703 2.000 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.684 1.918 -12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.690 2.862 -11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.170 1.209 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.329 0.029 -11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.760 -0.754 -10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 24 73.341 -0.402 -9.966 1.00 0.00 H new ATOM 371 N LYS A 25 73.930 0.939 -5.929 1.00 0.00 N ATOM 372 CA LYS A 25 73.944 0.107 -4.728 1.00 0.00 C ATOM 373 C LYS A 25 73.347 -1.275 -4.994 1.00 0.00 C ATOM 374 O LYS A 25 72.237 -1.402 -5.508 1.00 0.00 O ATOM 375 CB LYS A 25 73.179 0.801 -3.598 1.00 0.00 C ATOM 376 CG LYS A 25 74.048 1.168 -2.405 1.00 0.00 C ATOM 377 CD LYS A 25 73.227 1.811 -1.298 1.00 0.00 C ATOM 378 CE LYS A 25 74.112 2.530 -0.293 1.00 0.00 C ATOM 379 NZ LYS A 25 73.346 2.966 0.908 1.00 0.00 N ATOM 0 H LYS A 25 73.067 1.464 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 25 74.983 -0.030 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.714 1.706 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.374 0.148 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 25 74.540 0.274 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.834 1.853 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 25 72.519 2.517 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 25 72.641 1.047 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 25 74.924 1.870 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 25 74.569 3.398 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 74.007 3.282 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 72.714 3.751 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 72.781 2.170 1.267 1.00 0.00 H new ATOM 393 N VAL A 26 74.104 -2.308 -4.644 1.00 0.00 N ATOM 394 CA VAL A 26 73.659 -3.685 -4.829 1.00 0.00 C ATOM 395 C VAL A 26 73.357 -4.342 -3.479 1.00 0.00 C ATOM 396 O VAL A 26 74.174 -4.290 -2.557 1.00 0.00 O ATOM 397 CB VAL A 26 74.723 -4.521 -5.583 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.343 -5.993 -5.623 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.924 -3.987 -6.993 1.00 0.00 C ATOM 0 H VAL A 26 75.032 -2.218 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 26 72.748 -3.657 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 26 75.663 -4.431 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.110 -6.552 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.260 -6.375 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.387 -6.108 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.675 -4.588 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.982 -4.039 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.259 -2.951 -6.945 1.00 0.00 H new ATOM 409 N ILE A 27 72.176 -4.948 -3.367 1.00 0.00 N ATOM 410 CA ILE A 27 71.774 -5.616 -2.131 1.00 0.00 C ATOM 411 C ILE A 27 72.175 -7.092 -2.169 1.00 0.00 C ATOM 412 O ILE A 27 71.664 -7.869 -2.978 1.00 0.00 O ATOM 413 CB ILE A 27 70.247 -5.492 -1.880 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.875 -4.048 -1.518 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.792 -6.445 -0.780 1.00 0.00 C ATOM 416 CD1 ILE A 27 70.544 -3.540 -0.259 1.00 0.00 C ATOM 0 H ILE A 27 71.483 -4.990 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 27 72.291 -5.120 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 27 69.734 -5.766 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.143 -3.395 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 27 68.794 -3.981 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.718 -6.336 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.015 -7.471 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.317 -6.210 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 27 70.231 -2.513 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 27 70.257 -4.168 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 27 71.626 -3.573 -0.384 1.00 0.00 H new ATOM 428 N GLY A 28 73.108 -7.464 -1.296 1.00 0.00 N ATOM 429 CA GLY A 28 73.583 -8.838 -1.245 1.00 0.00 C ATOM 430 C GLY A 28 72.595 -9.800 -0.606 1.00 0.00 C ATOM 431 O GLY A 28 71.644 -9.386 0.060 1.00 0.00 O ATOM 0 H GLY A 28 73.545 -6.837 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.803 -9.176 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.520 -8.869 -0.688 1.00 0.00 H new ATOM 435 N GLN A 29 72.846 -11.095 -0.789 1.00 0.00 N ATOM 436 CA GLN A 29 71.982 -12.149 -0.242 1.00 0.00 C ATOM 437 C GLN A 29 71.971 -12.138 1.294 1.00 0.00 C ATOM 438 O GLN A 29 70.991 -12.540 1.917 1.00 0.00 O ATOM 439 CB GLN A 29 72.409 -13.542 -0.745 1.00 0.00 C ATOM 440 CG GLN A 29 73.826 -13.629 -1.315 1.00 0.00 C ATOM 441 CD GLN A 29 74.904 -13.478 -0.257 1.00 0.00 C ATOM 442 OE1 GLN A 29 75.294 -12.367 0.097 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.404 -14.594 0.248 1.00 0.00 N ATOM 0 H GLN A 29 73.646 -11.445 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 29 70.973 -11.939 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.324 -14.249 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 29 71.706 -13.863 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 29 73.951 -14.588 -1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 29 73.956 -12.854 -2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.056 -15.498 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 29 76.138 -14.550 0.955 1.00 0.00 H new ATOM 452 N ASP A 30 73.066 -11.678 1.895 1.00 0.00 N ATOM 453 CA ASP A 30 73.174 -11.615 3.351 1.00 0.00 C ATOM 454 C ASP A 30 72.776 -10.234 3.890 1.00 0.00 C ATOM 455 O ASP A 30 73.234 -9.825 4.958 1.00 0.00 O ATOM 456 CB ASP A 30 74.602 -11.956 3.787 1.00 0.00 C ATOM 457 CG ASP A 30 74.837 -13.451 3.876 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.092 -14.127 4.612 1.00 0.00 O ATOM 459 OD2 ASP A 30 75.768 -13.946 3.203 1.00 0.00 O ATOM 0 H ASP A 30 73.891 -11.344 1.397 1.00 0.00 H new ATOM 0 HA ASP A 30 72.482 -12.347 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.309 -11.521 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.801 -11.501 4.757 1.00 0.00 H new ATOM 464 N SER A 31 71.927 -9.523 3.137 1.00 0.00 N ATOM 465 CA SER A 31 71.454 -8.184 3.523 1.00 0.00 C ATOM 466 C SER A 31 72.617 -7.194 3.660 1.00 0.00 C ATOM 467 O SER A 31 72.703 -6.442 4.634 1.00 0.00 O ATOM 468 CB SER A 31 70.654 -8.250 4.830 1.00 0.00 C ATOM 469 OG SER A 31 70.165 -6.972 5.198 1.00 0.00 O ATOM 0 H SER A 31 71.550 -9.855 2.249 1.00 0.00 H new ATOM 0 HA SER A 31 70.801 -7.824 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.820 -8.942 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.286 -8.643 5.626 1.00 0.00 H new ATOM 0 HG SER A 31 70.908 -6.333 5.227 1.00 0.00 H new ATOM 475 N SER A 32 73.501 -7.192 2.667 1.00 0.00 N ATOM 476 CA SER A 32 74.663 -6.304 2.671 1.00 0.00 C ATOM 477 C SER A 32 74.559 -5.246 1.573 1.00 0.00 C ATOM 478 O SER A 32 74.120 -5.537 0.461 1.00 0.00 O ATOM 479 CB SER A 32 75.945 -7.120 2.488 1.00 0.00 C ATOM 480 OG SER A 32 77.056 -6.284 2.218 1.00 0.00 O ATOM 0 H SER A 32 73.436 -7.796 1.847 1.00 0.00 H new ATOM 0 HA SER A 32 74.692 -5.792 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.138 -7.704 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 32 75.814 -7.828 1.670 1.00 0.00 H new ATOM 0 HG SER A 32 77.860 -6.834 2.108 1.00 0.00 H new ATOM 486 N GLU A 33 74.958 -4.017 1.896 1.00 0.00 N ATOM 487 CA GLU A 33 74.911 -2.913 0.936 1.00 0.00 C ATOM 488 C GLU A 33 76.298 -2.632 0.359 1.00 0.00 C ATOM 489 O GLU A 33 77.174 -2.111 1.052 1.00 0.00 O ATOM 490 CB GLU A 33 74.368 -1.650 1.613 1.00 0.00 C ATOM 491 CG GLU A 33 72.890 -1.401 1.360 1.00 0.00 C ATOM 492 CD GLU A 33 72.279 -0.444 2.365 1.00 0.00 C ATOM 493 OE1 GLU A 33 71.784 -0.917 3.410 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.298 0.781 2.108 1.00 0.00 O ATOM 0 H GLU A 33 75.318 -3.760 2.815 1.00 0.00 H new ATOM 0 HA GLU A 33 74.248 -3.201 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.535 -1.726 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.937 -0.789 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.760 -0.999 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.354 -2.350 1.395 1.00 0.00 H new ATOM 501 N ILE A 34 76.496 -2.969 -0.912 1.00 0.00 N ATOM 502 CA ILE A 34 77.785 -2.748 -1.567 1.00 0.00 C ATOM 503 C ILE A 34 77.639 -1.894 -2.829 1.00 0.00 C ATOM 504 O ILE A 34 76.754 -2.129 -3.654 1.00 0.00 O ATOM 505 CB ILE A 34 78.477 -4.084 -1.929 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.495 -5.023 -0.716 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.894 -3.833 -2.436 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.286 -6.293 -0.932 1.00 0.00 C ATOM 0 H ILE A 34 75.786 -3.394 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 34 78.407 -2.212 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 34 77.909 -4.563 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.912 -4.489 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.469 -5.286 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.365 -4.784 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.856 -3.203 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.475 -3.333 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.250 -6.902 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.857 -6.852 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 34 80.322 -6.042 -1.159 1.00 0.00 H new ATOM 520 N HIS A 35 78.508 -0.896 -2.962 1.00 0.00 N ATOM 521 CA HIS A 35 78.497 -0.005 -4.122 1.00 0.00 C ATOM 522 C HIS A 35 79.922 0.409 -4.493 1.00 0.00 C ATOM 523 O HIS A 35 80.719 0.766 -3.625 1.00 0.00 O ATOM 524 CB HIS A 35 77.626 1.236 -3.863 1.00 0.00 C ATOM 525 CG HIS A 35 77.968 2.002 -2.617 1.00 0.00 C ATOM 526 ND1 HIS A 35 78.622 3.215 -2.635 1.00 0.00 N ATOM 527 CD2 HIS A 35 77.727 1.730 -1.310 1.00 0.00 C ATOM 528 CE1 HIS A 35 78.769 3.658 -1.400 1.00 0.00 C ATOM 529 NE2 HIS A 35 78.235 2.775 -0.576 1.00 0.00 N ATOM 0 H HIS A 35 79.233 -0.682 -2.277 1.00 0.00 H new ATOM 0 HA HIS A 35 78.063 -0.551 -4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 35 77.711 1.906 -4.718 1.00 0.00 H new ATOM 0 HB3 HIS A 35 76.583 0.924 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 35 77.229 0.855 -0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 35 79.245 4.584 -1.113 1.00 0.00 H new ATOM 0 HE2 HIS A 35 78.205 2.855 0.440 1.00 0.00 H new ATOM 537 N PHE A 36 80.240 0.352 -5.782 1.00 0.00 N ATOM 538 CA PHE A 36 81.579 0.710 -6.254 1.00 0.00 C ATOM 539 C PHE A 36 81.585 2.045 -7.006 1.00 0.00 C ATOM 540 O PHE A 36 82.644 2.539 -7.385 1.00 0.00 O ATOM 541 CB PHE A 36 82.135 -0.398 -7.152 1.00 0.00 C ATOM 542 CG PHE A 36 82.906 -1.445 -6.398 1.00 0.00 C ATOM 543 CD1 PHE A 36 82.245 -2.436 -5.688 1.00 0.00 C ATOM 544 CD2 PHE A 36 84.291 -1.437 -6.398 1.00 0.00 C ATOM 545 CE1 PHE A 36 82.951 -3.398 -4.993 1.00 0.00 C ATOM 546 CE2 PHE A 36 85.004 -2.397 -5.703 1.00 0.00 C ATOM 547 CZ PHE A 36 84.333 -3.380 -5.001 1.00 0.00 C ATOM 0 H PHE A 36 79.595 0.063 -6.518 1.00 0.00 H new ATOM 0 HA PHE A 36 82.215 0.823 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 36 81.310 -0.875 -7.681 1.00 0.00 H new ATOM 0 HB3 PHE A 36 82.783 0.047 -7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.165 -2.456 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 36 84.820 -0.672 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.424 -4.164 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 36 86.084 -2.378 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.887 -4.133 -4.460 1.00 0.00 H new ATOM 557 N LYS A 37 80.392 2.616 -7.211 1.00 0.00 N ATOM 558 CA LYS A 37 80.232 3.899 -7.912 1.00 0.00 C ATOM 559 C LYS A 37 80.740 3.836 -9.357 1.00 0.00 C ATOM 560 O LYS A 37 81.861 4.247 -9.659 1.00 0.00 O ATOM 561 CB LYS A 37 80.941 5.024 -7.147 1.00 0.00 C ATOM 562 CG LYS A 37 80.056 5.707 -6.115 1.00 0.00 C ATOM 563 CD LYS A 37 80.885 6.438 -5.071 1.00 0.00 C ATOM 564 CE LYS A 37 80.002 7.179 -4.080 1.00 0.00 C ATOM 565 NZ LYS A 37 80.679 8.386 -3.530 1.00 0.00 N ATOM 0 H LYS A 37 79.513 2.205 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 37 79.164 4.112 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.819 4.615 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.297 5.769 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 37 79.391 6.413 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.425 4.965 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 37 81.513 5.724 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 37 81.553 7.144 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.074 7.474 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 79.732 6.510 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 80.045 8.864 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 81.551 8.102 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 80.914 9.036 -4.307 1.00 0.00 H new ATOM 579 N VAL A 38 79.896 3.329 -10.248 1.00 0.00 N ATOM 580 CA VAL A 38 80.245 3.206 -11.665 1.00 0.00 C ATOM 581 C VAL A 38 79.220 3.922 -12.547 1.00 0.00 C ATOM 582 O VAL A 38 78.253 4.496 -12.050 1.00 0.00 O ATOM 583 CB VAL A 38 80.339 1.728 -12.103 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.718 1.162 -11.796 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.256 0.892 -11.435 1.00 0.00 C ATOM 0 H VAL A 38 78.961 2.994 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 38 81.222 3.673 -11.789 1.00 0.00 H new ATOM 0 HB VAL A 38 80.183 1.686 -13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.762 0.120 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.474 1.736 -12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.906 1.224 -10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.344 -0.145 -11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.372 0.944 -10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.275 1.277 -11.714 1.00 0.00 H new ATOM 595 N LYS A 39 79.435 3.893 -13.858 1.00 0.00 N ATOM 596 CA LYS A 39 78.512 4.534 -14.792 1.00 0.00 C ATOM 597 C LYS A 39 77.322 3.620 -15.087 1.00 0.00 C ATOM 598 O LYS A 39 77.424 2.395 -14.976 1.00 0.00 O ATOM 599 CB LYS A 39 79.234 4.894 -16.093 1.00 0.00 C ATOM 600 CG LYS A 39 79.664 6.350 -16.167 1.00 0.00 C ATOM 601 CD LYS A 39 81.037 6.494 -16.806 1.00 0.00 C ATOM 602 CE LYS A 39 82.150 6.273 -15.793 1.00 0.00 C ATOM 603 NZ LYS A 39 82.755 7.557 -15.344 1.00 0.00 N ATOM 0 H LYS A 39 80.234 3.436 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 39 78.141 5.449 -14.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.113 4.258 -16.199 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.578 4.674 -16.936 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.933 6.918 -16.742 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.682 6.777 -15.164 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.137 5.777 -17.620 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.134 7.488 -17.243 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.755 5.737 -14.930 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.922 5.642 -16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.462 7.368 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.214 8.025 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.012 8.176 -14.962 1.00 0.00 H new ATOM 617 N MET A 40 76.198 4.212 -15.477 1.00 0.00 N ATOM 618 CA MET A 40 74.992 3.437 -15.775 1.00 0.00 C ATOM 619 C MET A 40 75.090 2.721 -17.133 1.00 0.00 C ATOM 620 O MET A 40 74.323 1.797 -17.410 1.00 0.00 O ATOM 621 CB MET A 40 73.761 4.344 -15.752 1.00 0.00 C ATOM 622 CG MET A 40 72.972 4.262 -14.453 1.00 0.00 C ATOM 623 SD MET A 40 71.739 5.573 -14.293 1.00 0.00 S ATOM 624 CE MET A 40 70.726 5.313 -15.752 1.00 0.00 C ATOM 0 H MET A 40 76.094 5.220 -15.595 1.00 0.00 H new ATOM 0 HA MET A 40 74.896 2.673 -15.003 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.076 5.375 -15.912 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.107 4.078 -16.583 1.00 0.00 H new ATOM 0 HG2 MET A 40 72.474 3.294 -14.397 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.662 4.315 -13.611 1.00 0.00 H new ATOM 0 HE1 MET A 40 69.840 5.945 -15.697 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.299 5.569 -16.643 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.423 4.267 -15.803 1.00 0.00 H new ATOM 634 N THR A 41 76.027 3.152 -17.980 1.00 0.00 N ATOM 635 CA THR A 41 76.213 2.536 -19.298 1.00 0.00 C ATOM 636 C THR A 41 77.230 1.387 -19.250 1.00 0.00 C ATOM 637 O THR A 41 77.560 0.793 -20.279 1.00 0.00 O ATOM 638 CB THR A 41 76.666 3.576 -20.350 1.00 0.00 C ATOM 639 OG1 THR A 41 76.908 2.934 -21.609 1.00 0.00 O ATOM 640 CG2 THR A 41 77.927 4.301 -19.897 1.00 0.00 C ATOM 0 H THR A 41 76.666 3.921 -17.780 1.00 0.00 H new ATOM 0 HA THR A 41 75.243 2.134 -19.591 1.00 0.00 H new ATOM 0 HB THR A 41 75.866 4.308 -20.463 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.217 2.017 -21.454 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.222 5.026 -20.656 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.732 4.818 -18.958 1.00 0.00 H new ATOM 0 HG23 THR A 41 78.730 3.578 -19.753 1.00 0.00 H new ATOM 648 N THR A 42 77.719 1.076 -18.051 1.00 0.00 N ATOM 649 CA THR A 42 78.693 -0.001 -17.870 1.00 0.00 C ATOM 650 C THR A 42 78.014 -1.369 -17.857 1.00 0.00 C ATOM 651 O THR A 42 76.880 -1.509 -17.401 1.00 0.00 O ATOM 652 CB THR A 42 79.490 0.167 -16.557 1.00 0.00 C ATOM 653 OG1 THR A 42 79.548 1.549 -16.186 1.00 0.00 O ATOM 654 CG2 THR A 42 80.905 -0.374 -16.697 1.00 0.00 C ATOM 0 H THR A 42 77.457 1.554 -17.189 1.00 0.00 H new ATOM 0 HA THR A 42 79.378 0.058 -18.716 1.00 0.00 H new ATOM 0 HB THR A 42 78.974 -0.401 -15.783 1.00 0.00 H new ATOM 0 HG1 THR A 42 78.950 1.709 -15.426 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.440 -0.241 -15.757 1.00 0.00 H new ATOM 0 HG22 THR A 42 80.866 -1.435 -16.946 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.424 0.166 -17.489 1.00 0.00 H new ATOM 662 N HIS A 43 78.718 -2.377 -18.363 1.00 0.00 N ATOM 663 CA HIS A 43 78.192 -3.742 -18.407 1.00 0.00 C ATOM 664 C HIS A 43 78.215 -4.381 -17.017 1.00 0.00 C ATOM 665 O HIS A 43 79.057 -4.040 -16.183 1.00 0.00 O ATOM 666 CB HIS A 43 79.013 -4.588 -19.382 1.00 0.00 C ATOM 667 CG HIS A 43 78.418 -4.678 -20.756 1.00 0.00 C ATOM 668 ND1 HIS A 43 78.989 -5.401 -21.777 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.293 -4.126 -21.275 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.247 -5.295 -22.864 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.209 -4.526 -22.587 1.00 0.00 N ATOM 0 H HIS A 43 79.656 -2.276 -18.750 1.00 0.00 H new ATOM 0 HA HIS A 43 77.158 -3.699 -18.749 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.016 -4.168 -19.457 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.119 -5.594 -18.976 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.593 -3.490 -20.754 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.453 -5.758 -23.818 1.00 0.00 H new ATOM 0 HE2 HIS A 43 76.468 -4.271 -23.239 1.00 0.00 H new ATOM 679 N LEU A 44 77.300 -5.321 -16.774 1.00 0.00 N ATOM 680 CA LEU A 44 77.222 -5.995 -15.477 1.00 0.00 C ATOM 681 C LEU A 44 78.465 -6.848 -15.176 1.00 0.00 C ATOM 682 O LEU A 44 78.669 -7.254 -14.034 1.00 0.00 O ATOM 683 CB LEU A 44 75.958 -6.853 -15.394 1.00 0.00 C ATOM 684 CG LEU A 44 74.853 -6.302 -14.486 1.00 0.00 C ATOM 685 CD1 LEU A 44 75.310 -6.265 -13.037 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.418 -4.915 -14.940 1.00 0.00 C ATOM 0 H LEU A 44 76.606 -5.632 -17.454 1.00 0.00 H new ATOM 0 HA LEU A 44 77.179 -5.213 -14.718 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.554 -6.974 -16.399 1.00 0.00 H new ATOM 0 HB3 LEU A 44 76.235 -7.846 -15.040 1.00 0.00 H new ATOM 0 HG LEU A 44 73.996 -6.972 -14.559 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.508 -5.870 -12.413 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.562 -7.273 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 44 76.188 -5.625 -12.949 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.633 -4.546 -14.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.271 -4.237 -14.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.038 -4.969 -15.960 1.00 0.00 H new ATOM 698 N LYS A 45 79.286 -7.126 -16.201 1.00 0.00 N ATOM 699 CA LYS A 45 80.512 -7.922 -16.041 1.00 0.00 C ATOM 700 C LYS A 45 81.372 -7.430 -14.873 1.00 0.00 C ATOM 701 O LYS A 45 81.959 -8.228 -14.144 1.00 0.00 O ATOM 702 CB LYS A 45 81.340 -7.871 -17.330 1.00 0.00 C ATOM 703 CG LYS A 45 80.777 -8.718 -18.457 1.00 0.00 C ATOM 704 CD LYS A 45 81.632 -8.620 -19.709 1.00 0.00 C ATOM 705 CE LYS A 45 81.173 -9.602 -20.776 1.00 0.00 C ATOM 706 NZ LYS A 45 82.216 -10.621 -21.077 1.00 0.00 N ATOM 0 H LYS A 45 79.120 -6.808 -17.156 1.00 0.00 H new ATOM 0 HA LYS A 45 80.206 -8.946 -15.827 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.408 -6.836 -17.666 1.00 0.00 H new ATOM 0 HB3 LYS A 45 82.355 -8.203 -17.112 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.717 -9.758 -18.137 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.761 -8.395 -18.683 1.00 0.00 H new ATOM 0 HD2 LYS A 45 81.586 -7.605 -20.103 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.674 -8.817 -19.456 1.00 0.00 H new ATOM 0 HE2 LYS A 45 80.263 -10.101 -20.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.923 -9.058 -21.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 81.865 -11.271 -21.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 83.076 -10.147 -21.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 82.436 -11.158 -20.214 1.00 0.00 H new ATOM 720 N LYS A 46 81.441 -6.111 -14.697 1.00 0.00 N ATOM 721 CA LYS A 46 82.230 -5.529 -13.615 1.00 0.00 C ATOM 722 C LYS A 46 81.447 -5.495 -12.299 1.00 0.00 C ATOM 723 O LYS A 46 81.955 -5.907 -11.264 1.00 0.00 O ATOM 724 CB LYS A 46 82.684 -4.113 -13.984 1.00 0.00 C ATOM 725 CG LYS A 46 84.189 -3.980 -14.180 1.00 0.00 C ATOM 726 CD LYS A 46 84.963 -4.446 -12.952 1.00 0.00 C ATOM 727 CE LYS A 46 85.260 -3.294 -12.006 1.00 0.00 C ATOM 728 NZ LYS A 46 85.946 -3.758 -10.768 1.00 0.00 N ATOM 0 H LYS A 46 80.963 -5.430 -15.287 1.00 0.00 H new ATOM 0 HA LYS A 46 83.105 -6.164 -13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.179 -3.807 -14.901 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.367 -3.424 -13.201 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.496 -4.565 -15.047 1.00 0.00 H new ATOM 0 HG3 LYS A 46 84.437 -2.940 -14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.388 -5.209 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 46 85.898 -4.910 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.884 -2.559 -12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 46 84.329 -2.793 -11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.576 -3.008 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.237 -3.981 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 86.505 -4.609 -10.979 1.00 0.00 H new ATOM 742 N LEU A 47 80.203 -5.019 -12.356 1.00 0.00 N ATOM 743 CA LEU A 47 79.350 -4.921 -11.163 1.00 0.00 C ATOM 744 C LEU A 47 79.121 -6.281 -10.491 1.00 0.00 C ATOM 745 O LEU A 47 79.247 -6.407 -9.271 1.00 0.00 O ATOM 746 CB LEU A 47 78.001 -4.300 -11.538 1.00 0.00 C ATOM 747 CG LEU A 47 77.871 -2.803 -11.258 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.100 -2.116 -12.376 1.00 0.00 C ATOM 749 CD2 LEU A 47 77.189 -2.568 -9.918 1.00 0.00 C ATOM 0 H LEU A 47 79.760 -4.694 -13.215 1.00 0.00 H new ATOM 0 HA LEU A 47 79.871 -4.286 -10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.823 -4.471 -12.600 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.215 -4.824 -10.995 1.00 0.00 H new ATOM 0 HG LEU A 47 78.872 -2.373 -11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.017 -1.051 -12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 77.627 -2.255 -13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.103 -2.550 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 47 77.105 -1.497 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.194 -3.013 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.779 -3.026 -9.124 1.00 0.00 H new ATOM 761 N LYS A 48 78.798 -7.293 -11.295 1.00 0.00 N ATOM 762 CA LYS A 48 78.541 -8.645 -10.789 1.00 0.00 C ATOM 763 C LYS A 48 79.805 -9.283 -10.195 1.00 0.00 C ATOM 764 O LYS A 48 79.732 -10.050 -9.236 1.00 0.00 O ATOM 765 CB LYS A 48 77.992 -9.520 -11.924 1.00 0.00 C ATOM 766 CG LYS A 48 77.004 -10.585 -11.478 1.00 0.00 C ATOM 767 CD LYS A 48 75.844 -10.702 -12.457 1.00 0.00 C ATOM 768 CE LYS A 48 75.414 -12.147 -12.656 1.00 0.00 C ATOM 769 NZ LYS A 48 75.002 -12.419 -14.063 1.00 0.00 N ATOM 0 H LYS A 48 78.707 -7.203 -12.307 1.00 0.00 H new ATOM 0 HA LYS A 48 77.805 -8.572 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.507 -8.877 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.828 -10.006 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.513 -11.546 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.624 -10.340 -10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.999 -10.119 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.134 -10.274 -13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.235 -12.810 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.585 -12.374 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.929 -13.446 -14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 74.079 -11.976 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.710 -12.025 -14.715 1.00 0.00 H new ATOM 783 N GLU A 49 80.965 -8.952 -10.761 1.00 0.00 N ATOM 784 CA GLU A 49 82.239 -9.499 -10.288 1.00 0.00 C ATOM 785 C GLU A 49 82.802 -8.709 -9.101 1.00 0.00 C ATOM 786 O GLU A 49 83.372 -9.292 -8.174 1.00 0.00 O ATOM 787 CB GLU A 49 83.258 -9.510 -11.430 1.00 0.00 C ATOM 788 CG GLU A 49 84.275 -10.637 -11.335 1.00 0.00 C ATOM 789 CD GLU A 49 85.135 -10.755 -12.579 1.00 0.00 C ATOM 790 OE1 GLU A 49 86.153 -10.035 -12.666 1.00 0.00 O ATOM 791 OE2 GLU A 49 84.790 -11.565 -13.464 1.00 0.00 O ATOM 0 H GLU A 49 81.050 -8.308 -11.547 1.00 0.00 H new ATOM 0 HA GLU A 49 82.050 -10.517 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.726 -9.592 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.786 -8.557 -11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.916 -10.470 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.753 -11.579 -11.168 1.00 0.00 H new ATOM 798 N SER A 50 82.642 -7.386 -9.133 1.00 0.00 N ATOM 799 CA SER A 50 83.147 -6.513 -8.069 1.00 0.00 C ATOM 800 C SER A 50 82.484 -6.820 -6.725 1.00 0.00 C ATOM 801 O SER A 50 83.165 -7.064 -5.728 1.00 0.00 O ATOM 802 CB SER A 50 82.930 -5.042 -8.430 1.00 0.00 C ATOM 803 OG SER A 50 84.167 -4.377 -8.637 1.00 0.00 O ATOM 0 H SER A 50 82.165 -6.892 -9.887 1.00 0.00 H new ATOM 0 HA SER A 50 84.216 -6.705 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 50 82.321 -4.972 -9.331 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.377 -4.547 -7.632 1.00 0.00 H new ATOM 0 HG SER A 50 84.388 -3.844 -7.845 1.00 0.00 H new ATOM 809 N TYR A 51 81.152 -6.803 -6.706 1.00 0.00 N ATOM 810 CA TYR A 51 80.387 -7.092 -5.480 1.00 0.00 C ATOM 811 C TYR A 51 80.656 -8.514 -4.949 1.00 0.00 C ATOM 812 O TYR A 51 80.716 -8.732 -3.736 1.00 0.00 O ATOM 813 CB TYR A 51 78.870 -6.889 -5.721 1.00 0.00 C ATOM 814 CG TYR A 51 77.987 -7.914 -5.037 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.619 -7.766 -3.707 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.531 -9.035 -5.723 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.827 -8.706 -3.077 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.736 -9.978 -5.100 1.00 0.00 C ATOM 819 CZ TYR A 51 76.387 -9.809 -3.775 1.00 0.00 C ATOM 820 OH TYR A 51 75.602 -10.748 -3.146 1.00 0.00 O ATOM 0 H TYR A 51 80.575 -6.593 -7.521 1.00 0.00 H new ATOM 0 HA TYR A 51 80.725 -6.388 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.589 -5.895 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.677 -6.918 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.958 -6.901 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.803 -9.170 -6.759 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.554 -8.577 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.390 -10.843 -5.647 1.00 0.00 H new ATOM 0 HH TYR A 51 75.649 -10.617 -2.176 1.00 0.00 H new ATOM 830 N CYS A 52 80.839 -9.469 -5.859 1.00 0.00 N ATOM 831 CA CYS A 52 81.069 -10.876 -5.476 1.00 0.00 C ATOM 832 C CYS A 52 82.397 -11.071 -4.736 1.00 0.00 C ATOM 833 O CYS A 52 82.436 -11.698 -3.675 1.00 0.00 O ATOM 834 CB CYS A 52 81.028 -11.802 -6.702 1.00 0.00 C ATOM 835 SG CYS A 52 80.882 -13.552 -6.290 1.00 0.00 S ATOM 0 H CYS A 52 80.834 -9.303 -6.865 1.00 0.00 H new ATOM 0 HA CYS A 52 80.259 -11.140 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 52 80.187 -11.516 -7.333 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.934 -11.651 -7.290 1.00 0.00 H new ATOM 0 HG CYS A 52 81.888 -13.908 -5.548 1.00 0.00 H new ATOM 841 N GLN A 53 83.479 -10.527 -5.290 1.00 0.00 N ATOM 842 CA GLN A 53 84.803 -10.660 -4.674 1.00 0.00 C ATOM 843 C GLN A 53 84.921 -9.845 -3.380 1.00 0.00 C ATOM 844 O GLN A 53 85.809 -10.095 -2.565 1.00 0.00 O ATOM 845 CB GLN A 53 85.898 -10.252 -5.668 1.00 0.00 C ATOM 846 CG GLN A 53 86.179 -8.758 -5.695 1.00 0.00 C ATOM 847 CD GLN A 53 86.810 -8.303 -6.997 1.00 0.00 C ATOM 848 OE1 GLN A 53 87.937 -7.816 -7.018 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.088 -8.454 -8.095 1.00 0.00 N ATOM 0 H GLN A 53 83.468 -9.993 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 53 84.936 -11.709 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.818 -10.780 -5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.607 -10.575 -6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.247 -8.215 -5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.840 -8.502 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.155 -8.863 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.464 -8.162 -8.997 1.00 0.00 H new ATOM 858 N ARG A 54 84.023 -8.873 -3.194 1.00 0.00 N ATOM 859 CA ARG A 54 84.029 -8.038 -1.992 1.00 0.00 C ATOM 860 C ARG A 54 83.667 -8.866 -0.757 1.00 0.00 C ATOM 861 O ARG A 54 84.314 -8.763 0.284 1.00 0.00 O ATOM 862 CB ARG A 54 83.049 -6.873 -2.152 1.00 0.00 C ATOM 863 CG ARG A 54 83.237 -5.768 -1.121 1.00 0.00 C ATOM 864 CD ARG A 54 84.424 -4.880 -1.462 1.00 0.00 C ATOM 865 NE ARG A 54 85.449 -4.917 -0.422 1.00 0.00 N ATOM 866 CZ ARG A 54 86.244 -3.899 -0.131 1.00 0.00 C ATOM 867 NH1 ARG A 54 86.146 -2.770 -0.788 1.00 0.00 N ATOM 868 NH2 ARG A 54 87.139 -4.014 0.818 1.00 0.00 N ATOM 0 H ARG A 54 83.284 -8.646 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 54 85.034 -7.638 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 54 83.162 -6.449 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.030 -7.254 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.332 -5.162 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.384 -6.210 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.857 -5.201 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.082 -3.854 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 54 85.559 -5.779 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.453 -2.670 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.762 -1.991 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 54 87.225 -4.889 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.750 -3.228 1.040 1.00 0.00 H new ATOM 882 N GLN A 55 82.621 -9.681 -0.882 1.00 0.00 N ATOM 883 CA GLN A 55 82.182 -10.543 0.218 1.00 0.00 C ATOM 884 C GLN A 55 83.084 -11.777 0.360 1.00 0.00 C ATOM 885 O GLN A 55 83.428 -12.177 1.472 1.00 0.00 O ATOM 886 CB GLN A 55 80.730 -10.998 0.011 1.00 0.00 C ATOM 887 CG GLN A 55 79.796 -9.915 -0.513 1.00 0.00 C ATOM 888 CD GLN A 55 78.357 -10.133 -0.082 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.708 -9.230 0.441 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.849 -11.336 -0.302 1.00 0.00 N ATOM 0 H GLN A 55 82.062 -9.764 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 55 82.249 -9.953 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.721 -11.836 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.340 -11.368 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.136 -8.943 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.847 -9.891 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.421 -12.059 -0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 55 76.886 -11.540 -0.035 1.00 0.00 H new ATOM 899 N GLY A 56 83.458 -12.381 -0.769 1.00 0.00 N ATOM 900 CA GLY A 56 84.306 -13.562 -0.739 1.00 0.00 C ATOM 901 C GLY A 56 83.526 -14.842 -0.988 1.00 0.00 C ATOM 902 O GLY A 56 83.691 -15.831 -0.273 1.00 0.00 O ATOM 0 H GLY A 56 83.188 -12.072 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.088 -13.464 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.803 -13.625 0.229 1.00 0.00 H new ATOM 906 N VAL A 57 82.678 -14.820 -2.011 1.00 0.00 N ATOM 907 CA VAL A 57 81.851 -15.977 -2.356 1.00 0.00 C ATOM 908 C VAL A 57 82.008 -16.349 -3.834 1.00 0.00 C ATOM 909 O VAL A 57 82.517 -15.553 -4.624 1.00 0.00 O ATOM 910 CB VAL A 57 80.357 -15.702 -2.061 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.022 -16.043 -0.617 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.000 -14.253 -2.369 1.00 0.00 C ATOM 0 H VAL A 57 82.543 -14.012 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 57 82.192 -16.808 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 57 79.761 -16.343 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.967 -15.842 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.228 -17.098 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.630 -15.434 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.945 -14.085 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.607 -13.590 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.193 -14.047 -3.422 1.00 0.00 H new ATOM 922 N PRO A 58 81.595 -17.571 -4.230 1.00 0.00 N ATOM 923 CA PRO A 58 81.679 -18.020 -5.625 1.00 0.00 C ATOM 924 C PRO A 58 80.669 -17.301 -6.521 1.00 0.00 C ATOM 925 O PRO A 58 79.509 -17.120 -6.150 1.00 0.00 O ATOM 926 CB PRO A 58 81.354 -19.520 -5.556 1.00 0.00 C ATOM 927 CG PRO A 58 81.389 -19.878 -4.106 1.00 0.00 C ATOM 928 CD PRO A 58 81.047 -18.621 -3.358 1.00 0.00 C ATOM 0 HA PRO A 58 82.658 -17.809 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.374 -19.728 -5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.081 -20.104 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 58 80.675 -20.671 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.374 -20.246 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 58 79.971 -18.512 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 58 81.500 -18.603 -2.367 1.00 0.00 H new ATOM 936 N MET A 59 81.114 -16.916 -7.716 1.00 0.00 N ATOM 937 CA MET A 59 80.261 -16.205 -8.673 1.00 0.00 C ATOM 938 C MET A 59 79.117 -17.082 -9.194 1.00 0.00 C ATOM 939 O MET A 59 78.113 -16.575 -9.692 1.00 0.00 O ATOM 940 CB MET A 59 81.101 -15.702 -9.849 1.00 0.00 C ATOM 941 CG MET A 59 81.109 -14.189 -9.986 1.00 0.00 C ATOM 942 SD MET A 59 82.120 -13.625 -11.370 1.00 0.00 S ATOM 943 CE MET A 59 80.894 -12.778 -12.365 1.00 0.00 C ATOM 0 H MET A 59 82.064 -17.084 -8.047 1.00 0.00 H new ATOM 0 HA MET A 59 79.816 -15.361 -8.145 1.00 0.00 H new ATOM 0 HB2 MET A 59 82.126 -16.053 -9.729 1.00 0.00 H new ATOM 0 HB3 MET A 59 80.719 -16.140 -10.771 1.00 0.00 H new ATOM 0 HG2 MET A 59 80.087 -13.834 -10.119 1.00 0.00 H new ATOM 0 HG3 MET A 59 81.483 -13.746 -9.063 1.00 0.00 H new ATOM 0 HE1 MET A 59 81.368 -12.373 -13.259 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.112 -13.480 -12.655 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.455 -11.965 -11.787 1.00 0.00 H new ATOM 953 N ASN A 60 79.268 -18.398 -9.074 1.00 0.00 N ATOM 954 CA ASN A 60 78.245 -19.334 -9.538 1.00 0.00 C ATOM 955 C ASN A 60 77.336 -19.799 -8.394 1.00 0.00 C ATOM 956 O ASN A 60 76.545 -20.731 -8.560 1.00 0.00 O ATOM 957 CB ASN A 60 78.910 -20.546 -10.201 1.00 0.00 C ATOM 958 CG ASN A 60 79.759 -21.344 -9.229 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.786 -20.869 -8.746 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.334 -22.560 -8.933 1.00 0.00 N ATOM 0 H ASN A 60 80.088 -18.841 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 60 77.623 -18.812 -10.265 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.141 -21.193 -10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 60 79.532 -20.208 -11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.863 -23.141 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.477 -22.917 -9.355 1.00 0.00 H new ATOM 967 N SER A 61 77.442 -19.149 -7.233 1.00 0.00 N ATOM 968 CA SER A 61 76.625 -19.525 -6.078 1.00 0.00 C ATOM 969 C SER A 61 75.421 -18.599 -5.898 1.00 0.00 C ATOM 970 O SER A 61 74.403 -18.998 -5.330 1.00 0.00 O ATOM 971 CB SER A 61 77.460 -19.535 -4.794 1.00 0.00 C ATOM 972 OG SER A 61 77.147 -20.665 -3.993 1.00 0.00 O ATOM 0 H SER A 61 78.078 -18.369 -7.069 1.00 0.00 H new ATOM 0 HA SER A 61 76.253 -20.531 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.521 -19.545 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.275 -18.622 -4.229 1.00 0.00 H new ATOM 0 HG SER A 61 76.176 -20.796 -3.978 1.00 0.00 H new ATOM 978 N LEU A 62 75.533 -17.369 -6.385 1.00 0.00 N ATOM 979 CA LEU A 62 74.444 -16.399 -6.260 1.00 0.00 C ATOM 980 C LEU A 62 74.030 -15.840 -7.619 1.00 0.00 C ATOM 981 O LEU A 62 74.852 -15.702 -8.525 1.00 0.00 O ATOM 982 CB LEU A 62 74.847 -15.255 -5.325 1.00 0.00 C ATOM 983 CG LEU A 62 76.349 -15.117 -5.058 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.896 -13.855 -5.708 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.622 -15.110 -3.564 1.00 0.00 C ATOM 0 H LEU A 62 76.360 -17.018 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 62 73.588 -16.923 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.484 -14.319 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.338 -15.392 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 62 76.858 -15.975 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.964 -13.776 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.732 -13.900 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.384 -12.984 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.694 -15.011 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.101 -14.271 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.268 -16.043 -3.125 1.00 0.00 H new ATOM 997 N ARG A 63 72.746 -15.520 -7.751 1.00 0.00 N ATOM 998 CA ARG A 63 72.212 -14.983 -9.001 1.00 0.00 C ATOM 999 C ARG A 63 71.690 -13.556 -8.816 1.00 0.00 C ATOM 1000 O ARG A 63 71.063 -13.236 -7.803 1.00 0.00 O ATOM 1001 CB ARG A 63 71.088 -15.881 -9.535 1.00 0.00 C ATOM 1002 CG ARG A 63 71.126 -17.305 -8.996 1.00 0.00 C ATOM 1003 CD ARG A 63 70.387 -18.273 -9.906 1.00 0.00 C ATOM 1004 NE ARG A 63 70.484 -19.652 -9.428 1.00 0.00 N ATOM 1005 CZ ARG A 63 69.440 -20.423 -9.160 1.00 0.00 C ATOM 1006 NH1 ARG A 63 68.218 -19.982 -9.334 1.00 0.00 N ATOM 1007 NH2 ARG A 63 69.621 -21.642 -8.717 1.00 0.00 N ATOM 0 H ARG A 63 72.055 -15.623 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 63 73.027 -14.960 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.127 -15.433 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.148 -15.913 -10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 63 72.162 -17.626 -8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.681 -17.329 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.338 -17.983 -9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 63 70.797 -18.208 -10.914 1.00 0.00 H new ATOM 0 HE ARG A 63 71.415 -20.046 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 63 68.062 -19.035 -9.680 1.00 0.00 H new ATOM 0 HH12 ARG A 63 67.423 -20.586 -9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.566 -21.999 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 63 68.817 -22.234 -8.511 1.00 0.00 H new ATOM 1021 N LEU A 64 71.953 -12.704 -9.804 1.00 0.00 N ATOM 1022 CA LEU A 64 71.504 -11.310 -9.761 1.00 0.00 C ATOM 1023 C LEU A 64 70.212 -11.143 -10.564 1.00 0.00 C ATOM 1024 O LEU A 64 70.145 -11.529 -11.734 1.00 0.00 O ATOM 1025 CB LEU A 64 72.599 -10.371 -10.301 1.00 0.00 C ATOM 1026 CG LEU A 64 73.508 -9.755 -9.233 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.585 -10.744 -8.808 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.137 -8.469 -9.746 1.00 0.00 C ATOM 0 H LEU A 64 72.474 -12.952 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 64 71.305 -11.043 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.217 -10.926 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.123 -9.565 -10.860 1.00 0.00 H new ATOM 0 HG LEU A 64 72.899 -9.517 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.220 -10.287 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.116 -11.639 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.191 -11.016 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.780 -8.045 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.730 -8.684 -10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.352 -7.755 -9.997 1.00 0.00 H new ATOM 1040 N LEU A 65 69.184 -10.578 -9.933 1.00 0.00 N ATOM 1041 CA LEU A 65 67.892 -10.393 -10.601 1.00 0.00 C ATOM 1042 C LEU A 65 67.235 -9.049 -10.247 1.00 0.00 C ATOM 1043 O LEU A 65 67.543 -8.437 -9.223 1.00 0.00 O ATOM 1044 CB LEU A 65 66.953 -11.599 -10.321 1.00 0.00 C ATOM 1045 CG LEU A 65 66.146 -11.641 -8.996 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.963 -11.176 -7.799 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.857 -10.838 -9.113 1.00 0.00 C ATOM 0 H LEU A 65 69.217 -10.243 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 65 68.078 -10.358 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.238 -11.655 -11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.560 -12.504 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 65 65.890 -12.686 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.350 -11.226 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.834 -11.820 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.290 -10.149 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.312 -10.885 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.095 -9.799 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.240 -11.254 -9.910 1.00 0.00 H new ATOM 1059 N PHE A 66 66.342 -8.591 -11.120 1.00 0.00 N ATOM 1060 CA PHE A 66 65.633 -7.331 -10.908 1.00 0.00 C ATOM 1061 C PHE A 66 64.164 -7.452 -11.325 1.00 0.00 C ATOM 1062 O PHE A 66 63.866 -7.790 -12.470 1.00 0.00 O ATOM 1063 CB PHE A 66 66.310 -6.199 -11.691 1.00 0.00 C ATOM 1064 CG PHE A 66 65.689 -4.847 -11.467 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.717 -4.255 -10.216 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.079 -4.170 -12.512 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.149 -3.012 -10.008 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.509 -2.929 -12.312 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.544 -2.347 -11.057 1.00 0.00 C ATOM 0 H PHE A 66 66.091 -9.074 -11.983 1.00 0.00 H new ATOM 0 HA PHE A 66 65.670 -7.098 -9.844 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.362 -6.156 -11.411 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.273 -6.433 -12.755 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.188 -4.771 -9.392 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.050 -4.619 -13.494 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.178 -2.561 -9.027 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.036 -2.413 -13.134 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.100 -1.376 -10.898 1.00 0.00 H new ATOM 1079 N GLU A 67 63.264 -7.189 -10.368 1.00 0.00 N ATOM 1080 CA GLU A 67 61.801 -7.244 -10.577 1.00 0.00 C ATOM 1081 C GLU A 67 61.325 -8.539 -11.269 1.00 0.00 C ATOM 1082 O GLU A 67 60.304 -8.548 -11.960 1.00 0.00 O ATOM 1083 CB GLU A 67 61.304 -5.990 -11.329 1.00 0.00 C ATOM 1084 CG GLU A 67 61.543 -5.992 -12.835 1.00 0.00 C ATOM 1085 CD GLU A 67 60.284 -5.694 -13.630 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.447 -4.904 -13.143 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.137 -6.246 -14.742 1.00 0.00 O ATOM 0 H GLU A 67 63.528 -6.929 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 67 61.352 -7.257 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.235 -5.879 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.792 -5.114 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.305 -5.252 -13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.935 -6.964 -13.135 1.00 0.00 H new ATOM 1094 N GLY A 68 62.051 -9.637 -11.057 1.00 0.00 N ATOM 1095 CA GLY A 68 61.671 -10.911 -11.658 1.00 0.00 C ATOM 1096 C GLY A 68 62.494 -11.275 -12.887 1.00 0.00 C ATOM 1097 O GLY A 68 62.532 -12.437 -13.289 1.00 0.00 O ATOM 0 H GLY A 68 62.893 -9.669 -10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.777 -11.700 -10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.617 -10.873 -11.935 1.00 0.00 H new ATOM 1101 N GLN A 69 63.157 -10.289 -13.480 1.00 0.00 N ATOM 1102 CA GLN A 69 63.976 -10.518 -14.669 1.00 0.00 C ATOM 1103 C GLN A 69 65.428 -10.819 -14.284 1.00 0.00 C ATOM 1104 O GLN A 69 66.000 -10.165 -13.406 1.00 0.00 O ATOM 1105 CB GLN A 69 63.893 -9.291 -15.598 1.00 0.00 C ATOM 1106 CG GLN A 69 65.163 -8.998 -16.385 1.00 0.00 C ATOM 1107 CD GLN A 69 65.119 -9.544 -17.800 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.147 -9.353 -18.525 1.00 0.00 O ATOM 1109 NE2 GLN A 69 66.176 -10.231 -18.201 1.00 0.00 N ATOM 0 H GLN A 69 63.145 -9.321 -13.158 1.00 0.00 H new ATOM 0 HA GLN A 69 63.592 -11.389 -15.201 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.073 -9.440 -16.301 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.644 -8.415 -14.999 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.321 -7.920 -16.421 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.017 -9.428 -15.861 1.00 0.00 H new ATOM 0 HE21 GLN A 69 66.965 -10.368 -17.569 1.00 0.00 H new ATOM 0 HE22 GLN A 69 66.202 -10.623 -19.142 1.00 0.00 H new ATOM 1118 N ARG A 70 66.018 -11.821 -14.936 1.00 0.00 N ATOM 1119 CA ARG A 70 67.406 -12.206 -14.669 1.00 0.00 C ATOM 1120 C ARG A 70 68.376 -11.153 -15.211 1.00 0.00 C ATOM 1121 O ARG A 70 68.119 -10.530 -16.243 1.00 0.00 O ATOM 1122 CB ARG A 70 67.709 -13.586 -15.272 1.00 0.00 C ATOM 1123 CG ARG A 70 67.799 -13.597 -16.793 1.00 0.00 C ATOM 1124 CD ARG A 70 67.203 -14.867 -17.378 1.00 0.00 C ATOM 1125 NE ARG A 70 67.761 -15.176 -18.693 1.00 0.00 N ATOM 1126 CZ ARG A 70 67.207 -16.015 -19.552 1.00 0.00 C ATOM 1127 NH1 ARG A 70 66.088 -16.630 -19.255 1.00 0.00 N ATOM 1128 NH2 ARG A 70 67.774 -16.239 -20.711 1.00 0.00 N ATOM 0 H ARG A 70 65.557 -12.381 -15.653 1.00 0.00 H new ATOM 0 HA ARG A 70 67.542 -12.267 -13.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.650 -13.951 -14.861 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.933 -14.285 -14.960 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.276 -12.730 -17.196 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.842 -13.510 -17.097 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.388 -15.700 -16.700 1.00 0.00 H new ATOM 0 HD3 ARG A 70 66.122 -14.756 -17.459 1.00 0.00 H new ATOM 0 HE ARG A 70 68.630 -14.717 -18.965 1.00 0.00 H new ATOM 0 HH11 ARG A 70 65.638 -16.463 -18.355 1.00 0.00 H new ATOM 0 HH12 ARG A 70 65.668 -17.275 -19.924 1.00 0.00 H new ATOM 0 HH21 ARG A 70 68.645 -15.766 -20.953 1.00 0.00 H new ATOM 0 HH22 ARG A 70 67.345 -16.887 -21.372 1.00 0.00 H new ATOM 1142 N ILE A 71 69.492 -10.960 -14.519 1.00 0.00 N ATOM 1143 CA ILE A 71 70.472 -9.964 -14.940 1.00 0.00 C ATOM 1144 C ILE A 71 71.708 -10.606 -15.585 1.00 0.00 C ATOM 1145 O ILE A 71 72.474 -11.331 -14.941 1.00 0.00 O ATOM 1146 CB ILE A 71 70.882 -9.041 -13.760 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.936 -7.842 -13.672 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.319 -8.552 -13.896 1.00 0.00 C ATOM 1149 CD1 ILE A 71 69.634 -7.415 -12.256 1.00 0.00 C ATOM 0 H ILE A 71 69.740 -11.473 -13.673 1.00 0.00 H new ATOM 0 HA ILE A 71 69.990 -9.350 -15.701 1.00 0.00 H new ATOM 0 HB ILE A 71 70.812 -9.631 -12.846 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.376 -7.002 -14.210 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.001 -8.089 -14.176 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.566 -7.910 -13.051 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.994 -9.407 -13.911 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.425 -7.989 -14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 71 68.958 -6.560 -12.270 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.165 -8.240 -11.719 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.561 -7.136 -11.755 1.00 0.00 H new ATOM 1161 N ALA A 72 71.861 -10.356 -16.881 1.00 0.00 N ATOM 1162 CA ALA A 72 73.003 -10.860 -17.636 1.00 0.00 C ATOM 1163 C ALA A 72 74.183 -9.887 -17.548 1.00 0.00 C ATOM 1164 O ALA A 72 74.002 -8.696 -17.292 1.00 0.00 O ATOM 1165 CB ALA A 72 72.613 -11.100 -19.088 1.00 0.00 C ATOM 0 H ALA A 72 71.205 -9.804 -17.433 1.00 0.00 H new ATOM 0 HA ALA A 72 73.313 -11.809 -17.199 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.475 -11.476 -19.639 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.807 -11.832 -19.132 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.277 -10.164 -19.534 1.00 0.00 H new ATOM 1171 N ASP A 73 75.385 -10.397 -17.789 1.00 0.00 N ATOM 1172 CA ASP A 73 76.605 -9.596 -17.718 1.00 0.00 C ATOM 1173 C ASP A 73 76.702 -8.582 -18.865 1.00 0.00 C ATOM 1174 O ASP A 73 77.379 -7.560 -18.742 1.00 0.00 O ATOM 1175 CB ASP A 73 77.823 -10.520 -17.719 1.00 0.00 C ATOM 1176 CG ASP A 73 78.044 -11.196 -16.377 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.066 -11.746 -15.819 1.00 0.00 O ATOM 1178 OD2 ASP A 73 79.190 -11.178 -15.886 1.00 0.00 O ATOM 0 H ASP A 73 75.543 -11.373 -18.038 1.00 0.00 H new ATOM 0 HA ASP A 73 76.576 -9.024 -16.791 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.696 -11.281 -18.489 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.711 -9.945 -17.983 1.00 0.00 H new ATOM 1183 N ASN A 74 76.024 -8.862 -19.975 1.00 0.00 N ATOM 1184 CA ASN A 74 76.036 -7.963 -21.132 1.00 0.00 C ATOM 1185 C ASN A 74 74.930 -6.908 -21.038 1.00 0.00 C ATOM 1186 O ASN A 74 74.637 -6.214 -22.012 1.00 0.00 O ATOM 1187 CB ASN A 74 75.886 -8.754 -22.437 1.00 0.00 C ATOM 1188 CG ASN A 74 74.814 -9.828 -22.365 1.00 0.00 C ATOM 1189 OD1 ASN A 74 74.903 -10.766 -21.577 1.00 0.00 O ATOM 1190 ND2 ASN A 74 73.788 -9.696 -23.192 1.00 0.00 N ATOM 0 H ASN A 74 75.459 -9.702 -20.100 1.00 0.00 H new ATOM 0 HA ASN A 74 76.998 -7.451 -21.132 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.647 -8.065 -23.247 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.841 -9.218 -22.685 1.00 0.00 H new ATOM 0 HD21 ASN A 74 73.038 -10.387 -23.188 1.00 0.00 H new ATOM 0 HD22 ASN A 74 73.748 -8.903 -23.833 1.00 0.00 H new ATOM 1197 N HIS A 75 74.326 -6.789 -19.864 1.00 0.00 N ATOM 1198 CA HIS A 75 73.258 -5.817 -19.645 1.00 0.00 C ATOM 1199 C HIS A 75 73.762 -4.610 -18.863 1.00 0.00 C ATOM 1200 O HIS A 75 74.835 -4.647 -18.262 1.00 0.00 O ATOM 1201 CB HIS A 75 72.102 -6.462 -18.882 1.00 0.00 C ATOM 1202 CG HIS A 75 71.109 -7.168 -19.755 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.396 -8.272 -19.341 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.701 -6.916 -21.021 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.593 -8.669 -20.310 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.757 -7.864 -21.342 1.00 0.00 N ATOM 0 H HIS A 75 74.556 -7.353 -19.046 1.00 0.00 H new ATOM 0 HA HIS A 75 72.912 -5.482 -20.623 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.508 -7.174 -18.163 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.584 -5.692 -18.310 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.051 -6.119 -21.660 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.917 -9.510 -20.266 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.264 -7.933 -22.233 1.00 0.00 H new ATOM 1214 N THR A 76 72.981 -3.539 -18.894 1.00 0.00 N ATOM 1215 CA THR A 76 73.314 -2.311 -18.178 1.00 0.00 C ATOM 1216 C THR A 76 72.045 -1.709 -17.569 1.00 0.00 C ATOM 1217 O THR A 76 70.958 -1.860 -18.130 1.00 0.00 O ATOM 1218 CB THR A 76 74.002 -1.262 -19.094 1.00 0.00 C ATOM 1219 OG1 THR A 76 73.279 -0.024 -19.063 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.108 -1.755 -20.535 1.00 0.00 C ATOM 0 H THR A 76 72.104 -3.494 -19.412 1.00 0.00 H new ATOM 0 HA THR A 76 74.022 -2.573 -17.392 1.00 0.00 H new ATOM 0 HB THR A 76 75.011 -1.107 -18.712 1.00 0.00 H new ATOM 0 HG1 THR A 76 73.714 0.593 -18.439 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.595 -0.994 -21.145 1.00 0.00 H new ATOM 0 HG22 THR A 76 74.695 -2.673 -20.563 1.00 0.00 H new ATOM 0 HG23 THR A 76 73.110 -1.951 -20.927 1.00 0.00 H new ATOM 1228 N PRO A 77 72.158 -1.031 -16.406 1.00 0.00 N ATOM 1229 CA PRO A 77 71.004 -0.410 -15.730 1.00 0.00 C ATOM 1230 C PRO A 77 70.211 0.535 -16.637 1.00 0.00 C ATOM 1231 O PRO A 77 68.984 0.622 -16.536 1.00 0.00 O ATOM 1232 CB PRO A 77 71.639 0.374 -14.583 1.00 0.00 C ATOM 1233 CG PRO A 77 72.942 -0.301 -14.327 1.00 0.00 C ATOM 1234 CD PRO A 77 73.411 -0.826 -15.655 1.00 0.00 C ATOM 0 HA PRO A 77 70.282 -1.162 -15.412 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.783 1.420 -14.853 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.006 0.358 -13.696 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.666 0.397 -13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 77 72.826 -1.111 -13.607 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.069 -0.117 -16.157 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.970 -1.756 -15.545 1.00 0.00 H new ATOM 1242 N LYS A 78 70.915 1.235 -17.525 1.00 0.00 N ATOM 1243 CA LYS A 78 70.280 2.168 -18.459 1.00 0.00 C ATOM 1244 C LYS A 78 69.385 1.425 -19.457 1.00 0.00 C ATOM 1245 O LYS A 78 68.320 1.912 -19.834 1.00 0.00 O ATOM 1246 CB LYS A 78 71.351 2.968 -19.208 1.00 0.00 C ATOM 1247 CG LYS A 78 70.788 4.053 -20.109 1.00 0.00 C ATOM 1248 CD LYS A 78 71.820 4.531 -21.121 1.00 0.00 C ATOM 1249 CE LYS A 78 71.218 4.662 -22.511 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.159 5.311 -23.465 1.00 0.00 N ATOM 0 H LYS A 78 71.929 1.174 -17.619 1.00 0.00 H new ATOM 0 HA LYS A 78 69.654 2.852 -17.886 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.024 3.425 -18.482 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.948 2.283 -19.810 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.912 3.673 -20.634 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.456 4.895 -19.502 1.00 0.00 H new ATOM 0 HD2 LYS A 78 72.222 5.494 -20.805 1.00 0.00 H new ATOM 0 HD3 LYS A 78 72.655 3.831 -21.149 1.00 0.00 H new ATOM 0 HE2 LYS A 78 70.947 3.674 -22.884 1.00 0.00 H new ATOM 0 HE3 LYS A 78 70.299 5.245 -22.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 71.711 5.382 -24.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 72.398 6.264 -23.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 73.026 4.742 -23.539 1.00 0.00 H new ATOM 1264 N GLU A 79 69.821 0.237 -19.867 1.00 0.00 N ATOM 1265 CA GLU A 79 69.064 -0.577 -20.816 1.00 0.00 C ATOM 1266 C GLU A 79 67.967 -1.379 -20.111 1.00 0.00 C ATOM 1267 O GLU A 79 66.888 -1.590 -20.663 1.00 0.00 O ATOM 1268 CB GLU A 79 70.002 -1.525 -21.565 1.00 0.00 C ATOM 1269 CG GLU A 79 69.644 -1.710 -23.032 1.00 0.00 C ATOM 1270 CD GLU A 79 69.317 -3.150 -23.384 1.00 0.00 C ATOM 1271 OE1 GLU A 79 69.721 -4.056 -22.620 1.00 0.00 O ATOM 1272 OE2 GLU A 79 68.660 -3.376 -24.420 1.00 0.00 O ATOM 0 H GLU A 79 70.696 -0.185 -19.557 1.00 0.00 H new ATOM 0 HA GLU A 79 68.588 0.097 -21.528 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.021 -1.144 -21.494 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.990 -2.497 -21.072 1.00 0.00 H new ATOM 0 HG2 GLU A 79 68.789 -1.079 -23.274 1.00 0.00 H new ATOM 0 HG3 GLU A 79 70.476 -1.370 -23.649 1.00 0.00 H new ATOM 1279 N LEU A 80 68.254 -1.834 -18.891 1.00 0.00 N ATOM 1280 CA LEU A 80 67.288 -2.611 -18.110 1.00 0.00 C ATOM 1281 C LEU A 80 66.151 -1.741 -17.551 1.00 0.00 C ATOM 1282 O LEU A 80 65.088 -2.254 -17.207 1.00 0.00 O ATOM 1283 CB LEU A 80 67.997 -3.338 -16.964 1.00 0.00 C ATOM 1284 CG LEU A 80 68.779 -4.589 -17.373 1.00 0.00 C ATOM 1285 CD1 LEU A 80 69.340 -5.292 -16.149 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.896 -5.534 -18.173 1.00 0.00 C ATOM 0 H LEU A 80 69.146 -1.679 -18.422 1.00 0.00 H new ATOM 0 HA LEU A 80 66.840 -3.338 -18.788 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.683 -2.641 -16.482 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.254 -3.621 -16.219 1.00 0.00 H new ATOM 0 HG LEU A 80 69.612 -4.281 -18.004 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.892 -6.179 -16.460 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.009 -4.616 -15.616 1.00 0.00 H new ATOM 0 HD13 LEU A 80 68.522 -5.586 -15.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.470 -6.417 -18.455 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.042 -5.834 -17.567 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.543 -5.029 -19.072 1.00 0.00 H new ATOM 1298 N GLY A 81 66.375 -0.428 -17.454 1.00 0.00 N ATOM 1299 CA GLY A 81 65.345 0.463 -16.948 1.00 0.00 C ATOM 1300 C GLY A 81 65.443 0.720 -15.451 1.00 0.00 C ATOM 1301 O GLY A 81 64.425 0.788 -14.762 1.00 0.00 O ATOM 0 H GLY A 81 67.248 0.030 -17.716 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.408 1.414 -17.476 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.367 0.038 -17.172 1.00 0.00 H new ATOM 1305 N MET A 82 66.663 0.871 -14.941 1.00 0.00 N ATOM 1306 CA MET A 82 66.857 1.137 -13.515 1.00 0.00 C ATOM 1307 C MET A 82 67.021 2.639 -13.277 1.00 0.00 C ATOM 1308 O MET A 82 67.997 3.248 -13.712 1.00 0.00 O ATOM 1309 CB MET A 82 68.078 0.379 -12.986 1.00 0.00 C ATOM 1310 CG MET A 82 67.728 -0.794 -12.090 1.00 0.00 C ATOM 1311 SD MET A 82 69.174 -1.759 -11.614 1.00 0.00 S ATOM 1312 CE MET A 82 69.081 -3.112 -12.781 1.00 0.00 C ATOM 0 H MET A 82 67.524 0.815 -15.485 1.00 0.00 H new ATOM 0 HA MET A 82 65.976 0.789 -12.975 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.664 0.017 -13.831 1.00 0.00 H new ATOM 0 HB3 MET A 82 68.712 1.071 -12.432 1.00 0.00 H new ATOM 0 HG2 MET A 82 67.231 -0.425 -11.193 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.018 -1.441 -12.605 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.912 -3.796 -12.612 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.139 -3.644 -12.647 1.00 0.00 H new ATOM 0 HE3 MET A 82 69.135 -2.721 -13.797 1.00 0.00 H new ATOM 1322 N GLU A 83 66.058 3.227 -12.574 1.00 0.00 N ATOM 1323 CA GLU A 83 66.077 4.660 -12.297 1.00 0.00 C ATOM 1324 C GLU A 83 65.718 4.973 -10.846 1.00 0.00 C ATOM 1325 O GLU A 83 65.061 4.175 -10.176 1.00 0.00 O ATOM 1326 CB GLU A 83 65.120 5.396 -13.239 1.00 0.00 C ATOM 1327 CG GLU A 83 65.614 6.773 -13.656 1.00 0.00 C ATOM 1328 CD GLU A 83 64.485 7.716 -14.029 1.00 0.00 C ATOM 1329 OE1 GLU A 83 63.983 8.426 -13.131 1.00 0.00 O ATOM 1330 OE2 GLU A 83 64.106 7.746 -15.219 1.00 0.00 O ATOM 0 H GLU A 83 65.254 2.733 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 83 67.097 5.006 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 83 64.964 4.790 -14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.151 5.499 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.191 7.209 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 83 66.290 6.670 -14.505 1.00 0.00 H new ATOM 1337 N GLU A 84 66.152 6.156 -10.392 1.00 0.00 N ATOM 1338 CA GLU A 84 65.902 6.674 -9.034 1.00 0.00 C ATOM 1339 C GLU A 84 66.521 5.819 -7.926 1.00 0.00 C ATOM 1340 O GLU A 84 67.299 6.317 -7.114 1.00 0.00 O ATOM 1341 CB GLU A 84 64.396 6.831 -8.787 1.00 0.00 C ATOM 1342 CG GLU A 84 63.758 7.962 -9.581 1.00 0.00 C ATOM 1343 CD GLU A 84 62.450 7.553 -10.235 1.00 0.00 C ATOM 1344 OE1 GLU A 84 62.468 6.620 -11.065 1.00 0.00 O ATOM 1345 OE2 GLU A 84 61.410 8.165 -9.914 1.00 0.00 O ATOM 0 H GLU A 84 66.699 6.796 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 84 66.393 7.646 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 84 63.896 5.896 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 84 64.228 7.006 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 84 63.579 8.809 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 84 64.454 8.299 -10.349 1.00 0.00 H new ATOM 1352 N GLU A 85 66.183 4.538 -7.891 1.00 0.00 N ATOM 1353 CA GLU A 85 66.733 3.639 -6.889 1.00 0.00 C ATOM 1354 C GLU A 85 67.995 2.970 -7.420 1.00 0.00 C ATOM 1355 O GLU A 85 68.974 2.815 -6.692 1.00 0.00 O ATOM 1356 CB GLU A 85 65.702 2.579 -6.489 1.00 0.00 C ATOM 1357 CG GLU A 85 64.706 3.060 -5.444 1.00 0.00 C ATOM 1358 CD GLU A 85 63.296 3.183 -5.992 1.00 0.00 C ATOM 1359 OE1 GLU A 85 62.542 2.189 -5.921 1.00 0.00 O ATOM 1360 OE2 GLU A 85 62.948 4.273 -6.494 1.00 0.00 O ATOM 0 H GLU A 85 65.533 4.100 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 85 66.987 4.223 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 85 65.158 2.260 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 85 66.225 1.703 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 85 64.705 2.367 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 85 65.028 4.028 -5.060 1.00 0.00 H new ATOM 1367 N ASP A 86 67.962 2.606 -8.714 1.00 0.00 N ATOM 1368 CA ASP A 86 69.093 1.944 -9.392 1.00 0.00 C ATOM 1369 C ASP A 86 69.666 0.745 -8.598 1.00 0.00 C ATOM 1370 O ASP A 86 70.782 0.297 -8.861 1.00 0.00 O ATOM 1371 CB ASP A 86 70.189 2.975 -9.673 1.00 0.00 C ATOM 1372 CG ASP A 86 70.972 2.680 -10.939 1.00 0.00 C ATOM 1373 OD1 ASP A 86 70.602 1.736 -11.663 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.956 3.403 -11.207 1.00 0.00 O ATOM 0 H ASP A 86 67.155 2.761 -9.318 1.00 0.00 H new ATOM 0 HA ASP A 86 68.714 1.532 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.737 3.964 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.876 3.007 -8.827 1.00 0.00 H new ATOM 1379 N VAL A 87 68.900 0.237 -7.632 1.00 0.00 N ATOM 1380 CA VAL A 87 69.344 -0.869 -6.782 1.00 0.00 C ATOM 1381 C VAL A 87 69.139 -2.243 -7.437 1.00 0.00 C ATOM 1382 O VAL A 87 68.124 -2.503 -8.085 1.00 0.00 O ATOM 1383 CB VAL A 87 68.614 -0.826 -5.412 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.104 -0.922 -5.591 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.115 -1.925 -4.486 1.00 0.00 C ATOM 0 H VAL A 87 67.962 0.577 -7.418 1.00 0.00 H new ATOM 0 HA VAL A 87 70.416 -0.737 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 87 68.841 0.135 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.619 -0.889 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 87 66.756 -0.086 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.855 -1.859 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.585 -1.869 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.935 -2.897 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.184 -1.797 -4.314 1.00 0.00 H new ATOM 1395 N ILE A 88 70.134 -3.111 -7.263 1.00 0.00 N ATOM 1396 CA ILE A 88 70.096 -4.470 -7.805 1.00 0.00 C ATOM 1397 C ILE A 88 69.973 -5.488 -6.663 1.00 0.00 C ATOM 1398 O ILE A 88 70.523 -5.279 -5.580 1.00 0.00 O ATOM 1399 CB ILE A 88 71.365 -4.773 -8.642 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.584 -3.670 -9.686 1.00 0.00 C ATOM 1401 CG2 ILE A 88 71.256 -6.133 -9.317 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.913 -3.756 -10.409 1.00 0.00 C ATOM 0 H ILE A 88 70.986 -2.895 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 88 69.227 -4.549 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 88 72.224 -4.797 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.780 -3.715 -10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.512 -2.700 -9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 88 72.158 -6.324 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 88 71.143 -6.908 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 88 70.389 -6.143 -9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.989 -2.941 -11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.726 -3.679 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.982 -4.710 -10.932 1.00 0.00 H new ATOM 1414 N GLU A 89 69.259 -6.588 -6.903 1.00 0.00 N ATOM 1415 CA GLU A 89 69.067 -7.608 -5.866 1.00 0.00 C ATOM 1416 C GLU A 89 69.765 -8.924 -6.219 1.00 0.00 C ATOM 1417 O GLU A 89 69.781 -9.349 -7.375 1.00 0.00 O ATOM 1418 CB GLU A 89 67.572 -7.858 -5.611 1.00 0.00 C ATOM 1419 CG GLU A 89 67.247 -8.189 -4.162 1.00 0.00 C ATOM 1420 CD GLU A 89 65.817 -7.848 -3.789 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.443 -6.660 -3.889 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.068 -8.771 -3.397 1.00 0.00 O ATOM 0 H GLU A 89 68.808 -6.796 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 89 69.523 -7.222 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.009 -6.973 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.236 -8.678 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.420 -9.251 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.928 -7.645 -3.508 1.00 0.00 H new ATOM 1429 N VAL A 90 70.346 -9.559 -5.204 1.00 0.00 N ATOM 1430 CA VAL A 90 71.050 -10.829 -5.379 1.00 0.00 C ATOM 1431 C VAL A 90 70.439 -11.922 -4.498 1.00 0.00 C ATOM 1432 O VAL A 90 70.142 -11.693 -3.326 1.00 0.00 O ATOM 1433 CB VAL A 90 72.550 -10.689 -5.032 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.323 -11.924 -5.466 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.137 -9.437 -5.666 1.00 0.00 C ATOM 0 H VAL A 90 70.343 -9.212 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 90 70.948 -11.108 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 90 72.639 -10.596 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.376 -11.802 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.925 -12.801 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.223 -12.056 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.193 -9.360 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.031 -9.494 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.608 -8.559 -5.295 1.00 0.00 H new ATOM 1445 N TYR A 91 70.256 -13.113 -5.064 1.00 0.00 N ATOM 1446 CA TYR A 91 69.684 -14.234 -4.311 1.00 0.00 C ATOM 1447 C TYR A 91 70.566 -15.479 -4.407 1.00 0.00 C ATOM 1448 O TYR A 91 71.032 -15.847 -5.488 1.00 0.00 O ATOM 1449 CB TYR A 91 68.265 -14.560 -4.800 1.00 0.00 C ATOM 1450 CG TYR A 91 67.196 -13.661 -4.216 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.206 -13.119 -5.024 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.175 -13.355 -2.860 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.229 -12.292 -4.502 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.201 -12.530 -2.329 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.231 -12.002 -3.154 1.00 0.00 C ATOM 1456 OH TYR A 91 64.261 -11.178 -2.632 1.00 0.00 O ATOM 0 H TYR A 91 70.492 -13.329 -6.033 1.00 0.00 H new ATOM 0 HA TYR A 91 69.634 -13.928 -3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.238 -14.482 -5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.033 -15.595 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.199 -13.348 -6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.932 -13.769 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.469 -11.876 -5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.200 -12.300 -1.274 1.00 0.00 H new ATOM 0 HH TYR A 91 64.344 -10.284 -3.026 1.00 0.00 H new ATOM 1466 N GLN A 92 70.796 -16.122 -3.264 1.00 0.00 N ATOM 1467 CA GLN A 92 71.616 -17.330 -3.207 1.00 0.00 C ATOM 1468 C GLN A 92 70.749 -18.579 -3.045 1.00 0.00 C ATOM 1469 O GLN A 92 69.953 -18.679 -2.112 1.00 0.00 O ATOM 1470 CB GLN A 92 72.621 -17.231 -2.055 1.00 0.00 C ATOM 1471 CG GLN A 92 73.379 -18.522 -1.776 1.00 0.00 C ATOM 1472 CD GLN A 92 74.780 -18.273 -1.256 1.00 0.00 C ATOM 1473 OE1 GLN A 92 75.072 -17.219 -0.694 1.00 0.00 O ATOM 1474 NE2 GLN A 92 75.660 -19.243 -1.438 1.00 0.00 N ATOM 0 H GLN A 92 70.424 -15.825 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 92 72.159 -17.416 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.339 -16.443 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.092 -16.931 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 92 72.825 -19.114 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.434 -19.112 -2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 92 75.380 -20.104 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 92 76.618 -19.131 -1.108 1.00 0.00 H new ATOM 1483 N GLU A 93 70.907 -19.524 -3.963 1.00 0.00 N ATOM 1484 CA GLU A 93 70.148 -20.772 -3.917 1.00 0.00 C ATOM 1485 C GLU A 93 71.083 -21.962 -3.699 1.00 0.00 C ATOM 1486 O GLU A 93 70.908 -22.743 -2.763 1.00 0.00 O ATOM 1487 CB GLU A 93 69.349 -20.956 -5.211 1.00 0.00 C ATOM 1488 CG GLU A 93 68.182 -21.922 -5.077 1.00 0.00 C ATOM 1489 CD GLU A 93 67.181 -21.792 -6.211 1.00 0.00 C ATOM 1490 OE1 GLU A 93 66.232 -20.991 -6.077 1.00 0.00 O ATOM 1491 OE2 GLU A 93 67.350 -22.489 -7.236 1.00 0.00 O ATOM 0 H GLU A 93 71.553 -19.452 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 93 69.452 -20.721 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 93 68.971 -19.986 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 93 70.018 -21.315 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.562 -22.943 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 93 67.675 -21.744 -4.128 1.00 0.00 H new ATOM 1498 N GLN A 94 72.074 -22.092 -4.573 1.00 0.00 N ATOM 1499 CA GLN A 94 73.049 -23.179 -4.480 1.00 0.00 C ATOM 1500 C GLN A 94 74.279 -22.752 -3.666 1.00 0.00 C ATOM 1501 O GLN A 94 74.587 -21.562 -3.553 1.00 0.00 O ATOM 1502 CB GLN A 94 73.474 -23.624 -5.882 1.00 0.00 C ATOM 1503 CG GLN A 94 74.037 -22.498 -6.735 1.00 0.00 C ATOM 1504 CD GLN A 94 73.268 -22.289 -8.025 1.00 0.00 C ATOM 1505 OE1 GLN A 94 72.088 -22.617 -8.125 1.00 0.00 O ATOM 1506 NE2 GLN A 94 73.933 -21.732 -9.026 1.00 0.00 N ATOM 0 H GLN A 94 72.226 -21.458 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 94 72.577 -24.016 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 94 74.224 -24.410 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 94 72.615 -24.060 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 74.026 -21.573 -6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 94 75.079 -22.715 -6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 94 74.912 -21.473 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 94 73.466 -21.562 -9.917 1.00 0.00 H new ATOM 1515 N THR A 95 74.986 -23.729 -3.108 1.00 0.00 N ATOM 1516 CA THR A 95 76.177 -23.444 -2.303 1.00 0.00 C ATOM 1517 C THR A 95 77.424 -24.122 -2.879 1.00 0.00 C ATOM 1518 O THR A 95 77.638 -25.323 -2.695 1.00 0.00 O ATOM 1519 CB THR A 95 75.996 -23.872 -0.824 1.00 0.00 C ATOM 1520 OG1 THR A 95 77.273 -24.109 -0.218 1.00 0.00 O ATOM 1521 CG2 THR A 95 75.136 -25.125 -0.699 1.00 0.00 C ATOM 0 H THR A 95 74.760 -24.720 -3.195 1.00 0.00 H new ATOM 0 HA THR A 95 76.314 -22.363 -2.337 1.00 0.00 H new ATOM 0 HB THR A 95 75.487 -23.057 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 95 77.147 -24.377 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 95 75.033 -25.392 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 95 74.150 -24.933 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 95 75.609 -25.946 -1.237 1.00 0.00 H new ATOM 1529 N GLY A 96 78.242 -23.344 -3.585 1.00 0.00 N ATOM 1530 CA GLY A 96 79.462 -23.877 -4.175 1.00 0.00 C ATOM 1531 C GLY A 96 79.223 -24.594 -5.495 1.00 0.00 C ATOM 1532 O GLY A 96 79.593 -24.094 -6.557 1.00 0.00 O ATOM 0 H GLY A 96 78.082 -22.352 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 96 80.168 -23.062 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 96 79.927 -24.568 -3.472 1.00 0.00 H new ATOM 1536 N GLY A 97 78.612 -25.773 -5.427 1.00 0.00 N ATOM 1537 CA GLY A 97 78.334 -26.543 -6.631 1.00 0.00 C ATOM 1538 C GLY A 97 79.537 -27.336 -7.129 1.00 0.00 C ATOM 1539 O GLY A 97 80.299 -27.854 -6.285 1.00 0.00 O ATOM 1540 OXT GLY A 97 79.710 -27.442 -8.362 1.00 0.00 O ATOM 0 H GLY A 97 78.303 -26.211 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 97 77.511 -27.230 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 97 78.002 -25.866 -7.418 1.00 0.00 H new TER 1544 GLY A 97