USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 824 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 21 HIS : no HD1:sc= -0.0752 K(o=-1.1,f=-4.6) USER MOD Set 1.2: A 22 LYS NZ :NH3+ 170:sc= -1.05 (180deg=-0.961) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0741 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.325 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0027 X(o=-0.0027,f=-0.026) USER MOD Single : A 29 MET CE :methyl 137:sc= -0.338 (180deg=-2.37!) USER MOD Single : A 30 SER OG : rot 88:sc= 0.0426 USER MOD Single : A 31 MET CE :methyl 176:sc=-0.000126 (180deg=-0.0271) USER MOD Single : A 38 TYR OH : rot 15:sc= -0.463 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -1.46 (180deg=-3.23!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.01 F(o=-2.2,f=-1) USER MOD Single : A 52 HIS : no HD1:sc= -7.14! C(o=-7.1!,f=-7.4!) USER MOD Single : A 57 MET CE :methyl 175:sc= -5.14! (180deg=-5.78!) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00675) USER MOD Single : A 61 THR OG1 : rot -67:sc= 0.311 USER MOD Single : A 64 LYS NZ :NH3+ 124:sc= -0.0036 (180deg=-1.02) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.958! C(o=-0.96!,f=-8.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -2.13 X(o=-2.1,f=-2.4) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 75:sc= 0.798 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0216 (180deg=-0.187) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 100 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 30:sc= 0.493 USER MOD Single : A 105 SER OG : rot 43:sc= 0.417 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0025 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.600 16.158 40.257 1.00 0.00 N ATOM 2 CA GLY A 1 -22.099 16.786 39.049 1.00 0.00 C ATOM 3 C GLY A 1 -21.621 15.776 38.025 1.00 0.00 C ATOM 4 O GLY A 1 -21.868 14.578 38.164 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.609 16.381 40.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.479 15.127 40.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.072 16.515 41.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.885 17.400 38.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.278 17.455 39.305 1.00 0.00 H new ATOM 8 N SER A 2 -20.936 16.259 36.994 1.00 0.00 N ATOM 9 CA SER A 2 -20.427 15.390 35.939 1.00 0.00 C ATOM 10 C SER A 2 -19.476 16.151 35.020 1.00 0.00 C ATOM 11 O SER A 2 -19.431 17.381 35.036 1.00 0.00 O ATOM 12 CB SER A 2 -21.584 14.808 35.125 1.00 0.00 C ATOM 13 OG SER A 2 -22.460 15.830 34.681 1.00 0.00 O ATOM 0 H SER A 2 -20.720 17.248 36.866 1.00 0.00 H new ATOM 0 HA SER A 2 -19.877 14.575 36.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.191 14.263 34.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.136 14.091 35.733 1.00 0.00 H new ATOM 0 HG SER A 2 -23.190 15.432 34.162 1.00 0.00 H new ATOM 19 N SER A 3 -18.716 15.409 34.221 1.00 0.00 N ATOM 20 CA SER A 3 -17.763 16.012 33.297 1.00 0.00 C ATOM 21 C SER A 3 -17.130 14.951 32.401 1.00 0.00 C ATOM 22 O SER A 3 -17.403 13.760 32.541 1.00 0.00 O ATOM 23 CB SER A 3 -16.674 16.758 34.070 1.00 0.00 C ATOM 24 OG SER A 3 -15.773 15.853 34.684 1.00 0.00 O ATOM 0 H SER A 3 -18.742 14.390 34.195 1.00 0.00 H new ATOM 0 HA SER A 3 -18.302 16.720 32.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.129 17.416 33.393 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.132 17.392 34.830 1.00 0.00 H new ATOM 0 HG SER A 3 -15.086 16.355 35.170 1.00 0.00 H new ATOM 30 N GLY A 4 -16.282 15.395 31.478 1.00 0.00 N ATOM 31 CA GLY A 4 -15.623 14.473 30.572 1.00 0.00 C ATOM 32 C GLY A 4 -14.429 15.096 29.876 1.00 0.00 C ATOM 33 O GLY A 4 -14.150 16.282 30.052 1.00 0.00 O ATOM 0 H GLY A 4 -16.040 16.376 31.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.297 13.593 31.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.338 14.131 29.824 1.00 0.00 H new ATOM 37 N SER A 5 -13.721 14.296 29.086 1.00 0.00 N ATOM 38 CA SER A 5 -12.547 14.775 28.366 1.00 0.00 C ATOM 39 C SER A 5 -12.367 14.017 27.054 1.00 0.00 C ATOM 40 O SER A 5 -13.105 13.076 26.762 1.00 0.00 O ATOM 41 CB SER A 5 -11.295 14.623 29.232 1.00 0.00 C ATOM 42 OG SER A 5 -11.396 15.397 30.414 1.00 0.00 O ATOM 0 H SER A 5 -13.940 13.312 28.928 1.00 0.00 H new ATOM 0 HA SER A 5 -12.697 15.830 28.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.154 13.574 29.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.417 14.932 28.665 1.00 0.00 H new ATOM 0 HG SER A 5 -10.584 15.282 30.951 1.00 0.00 H new ATOM 48 N SER A 6 -11.381 14.434 26.267 1.00 0.00 N ATOM 49 CA SER A 6 -11.105 13.798 24.984 1.00 0.00 C ATOM 50 C SER A 6 -9.636 13.955 24.605 1.00 0.00 C ATOM 51 O SER A 6 -8.868 14.610 25.309 1.00 0.00 O ATOM 52 CB SER A 6 -11.992 14.398 23.892 1.00 0.00 C ATOM 53 OG SER A 6 -11.965 13.604 22.719 1.00 0.00 O ATOM 0 H SER A 6 -10.759 15.210 26.495 1.00 0.00 H new ATOM 0 HA SER A 6 -11.326 12.735 25.078 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.016 14.480 24.256 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.654 15.408 23.659 1.00 0.00 H new ATOM 0 HG SER A 6 -12.541 14.008 22.037 1.00 0.00 H new ATOM 59 N GLY A 7 -9.252 13.348 23.486 1.00 0.00 N ATOM 60 CA GLY A 7 -7.876 13.431 23.032 1.00 0.00 C ATOM 61 C GLY A 7 -7.378 12.123 22.448 1.00 0.00 C ATOM 62 O GLY A 7 -7.626 11.053 23.004 1.00 0.00 O ATOM 0 H GLY A 7 -9.869 12.801 22.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.791 14.216 22.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.238 13.719 23.867 1.00 0.00 H new ATOM 66 N ASP A 8 -6.676 12.209 21.324 1.00 0.00 N ATOM 67 CA ASP A 8 -6.143 11.023 20.664 1.00 0.00 C ATOM 68 C ASP A 8 -4.621 11.090 20.572 1.00 0.00 C ATOM 69 O ASP A 8 -4.009 12.087 20.954 1.00 0.00 O ATOM 70 CB ASP A 8 -6.744 10.877 19.265 1.00 0.00 C ATOM 71 CG ASP A 8 -8.197 11.306 19.212 1.00 0.00 C ATOM 72 OD1 ASP A 8 -8.454 12.527 19.162 1.00 0.00 O ATOM 73 OD2 ASP A 8 -9.078 10.420 19.222 1.00 0.00 O ATOM 0 H ASP A 8 -6.463 13.087 20.851 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.416 10.153 21.261 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.166 11.474 18.560 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.663 9.838 18.944 1.00 0.00 H new ATOM 78 N LYS A 9 -4.017 10.021 20.064 1.00 0.00 N ATOM 79 CA LYS A 9 -2.567 9.957 19.922 1.00 0.00 C ATOM 80 C LYS A 9 -2.163 8.840 18.965 1.00 0.00 C ATOM 81 O LYS A 9 -2.910 7.882 18.762 1.00 0.00 O ATOM 82 CB LYS A 9 -1.909 9.737 21.286 1.00 0.00 C ATOM 83 CG LYS A 9 -2.300 8.426 21.946 1.00 0.00 C ATOM 84 CD LYS A 9 -1.632 8.263 23.301 1.00 0.00 C ATOM 85 CE LYS A 9 -2.481 8.855 24.415 1.00 0.00 C ATOM 86 NZ LYS A 9 -1.913 8.563 25.760 1.00 0.00 N ATOM 0 H LYS A 9 -4.509 9.187 19.744 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.225 10.906 19.510 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.826 9.765 21.166 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.178 10.561 21.947 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.383 8.387 22.066 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.021 7.594 21.299 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.458 7.205 23.497 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.656 8.749 23.288 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.557 9.934 24.279 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.493 8.454 24.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.520 8.983 26.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.864 7.534 25.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.957 8.968 25.829 1.00 0.00 H new ATOM 100 N LEU A 10 -0.977 8.968 18.381 1.00 0.00 N ATOM 101 CA LEU A 10 -0.472 7.968 17.447 1.00 0.00 C ATOM 102 C LEU A 10 1.018 7.725 17.660 1.00 0.00 C ATOM 103 O LEU A 10 1.631 8.310 18.555 1.00 0.00 O ATOM 104 CB LEU A 10 -0.727 8.413 16.006 1.00 0.00 C ATOM 105 CG LEU A 10 -2.136 8.922 15.699 1.00 0.00 C ATOM 106 CD1 LEU A 10 -2.113 9.878 14.517 1.00 0.00 C ATOM 107 CD2 LEU A 10 -3.076 7.756 15.427 1.00 0.00 C ATOM 0 H LEU A 10 -0.347 9.755 18.538 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.003 7.034 17.632 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.016 9.201 15.759 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.514 7.573 15.345 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.504 9.464 16.570 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.125 10.230 14.314 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.473 10.729 14.750 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.725 9.362 13.639 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.074 8.136 15.210 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.711 7.186 14.572 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.116 7.109 16.303 1.00 0.00 H new ATOM 119 N TYR A 11 1.597 6.862 16.833 1.00 0.00 N ATOM 120 CA TYR A 11 3.016 6.542 16.931 1.00 0.00 C ATOM 121 C TYR A 11 3.690 6.630 15.565 1.00 0.00 C ATOM 122 O TYR A 11 3.558 5.744 14.721 1.00 0.00 O ATOM 123 CB TYR A 11 3.205 5.142 17.516 1.00 0.00 C ATOM 124 CG TYR A 11 2.642 4.987 18.911 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.274 5.052 19.141 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.479 4.776 20.000 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.755 4.912 20.413 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.970 4.633 21.276 1.00 0.00 C ATOM 129 CZ TYR A 11 1.607 4.703 21.478 1.00 0.00 C ATOM 130 OH TYR A 11 1.094 4.562 22.747 1.00 0.00 O ATOM 0 H TYR A 11 1.105 6.371 16.086 1.00 0.00 H new ATOM 0 HA TYR A 11 3.482 7.271 17.594 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.728 4.415 16.858 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.269 4.906 17.534 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.604 5.215 18.310 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.547 4.723 19.846 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.312 4.966 20.573 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.635 4.467 22.111 1.00 0.00 H new ATOM 0 HH TYR A 11 1.827 4.420 23.382 1.00 0.00 H new ATOM 140 N PRO A 12 4.432 7.726 15.343 1.00 0.00 N ATOM 141 CA PRO A 12 5.143 7.957 14.082 1.00 0.00 C ATOM 142 C PRO A 12 6.319 7.003 13.896 1.00 0.00 C ATOM 143 O PRO A 12 7.023 6.677 14.852 1.00 0.00 O ATOM 144 CB PRO A 12 5.640 9.399 14.214 1.00 0.00 C ATOM 145 CG PRO A 12 5.737 9.633 15.682 1.00 0.00 C ATOM 146 CD PRO A 12 4.633 8.822 16.304 1.00 0.00 C ATOM 0 HA PRO A 12 4.502 7.790 13.216 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.606 9.531 13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.949 10.100 13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.710 9.324 16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.624 10.691 15.917 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.915 8.447 17.288 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.726 9.412 16.436 1.00 0.00 H new ATOM 154 N CYS A 13 6.526 6.560 12.661 1.00 0.00 N ATOM 155 CA CYS A 13 7.616 5.644 12.350 1.00 0.00 C ATOM 156 C CYS A 13 8.759 6.375 11.650 1.00 0.00 C ATOM 157 O CYS A 13 8.582 7.485 11.148 1.00 0.00 O ATOM 158 CB CYS A 13 7.113 4.500 11.467 1.00 0.00 C ATOM 159 SG CYS A 13 8.355 3.206 11.147 1.00 0.00 S ATOM 0 H CYS A 13 5.953 6.821 11.859 1.00 0.00 H new ATOM 0 HA CYS A 13 7.990 5.234 13.288 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.243 4.045 11.941 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.778 4.911 10.514 1.00 0.00 H new ATOM 164 N GLN A 14 9.929 5.745 11.623 1.00 0.00 N ATOM 165 CA GLN A 14 11.099 6.337 10.986 1.00 0.00 C ATOM 166 C GLN A 14 10.775 6.793 9.567 1.00 0.00 C ATOM 167 O GLN A 14 11.115 7.907 9.169 1.00 0.00 O ATOM 168 CB GLN A 14 12.254 5.333 10.960 1.00 0.00 C ATOM 169 CG GLN A 14 13.582 5.945 10.546 1.00 0.00 C ATOM 170 CD GLN A 14 14.491 4.950 9.851 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.943 5.184 8.729 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.764 3.833 10.514 1.00 0.00 N ATOM 0 H GLN A 14 10.092 4.826 12.034 1.00 0.00 H new ATOM 0 HA GLN A 14 11.396 7.209 11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.361 4.889 11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.006 4.524 10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.397 6.789 9.881 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.087 6.339 11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.368 3.681 11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.370 3.127 10.096 1.00 0.00 H new ATOM 181 N CYS A 15 10.116 5.924 8.808 1.00 0.00 N ATOM 182 CA CYS A 15 9.746 6.236 7.433 1.00 0.00 C ATOM 183 C CYS A 15 8.875 7.488 7.374 1.00 0.00 C ATOM 184 O CYS A 15 8.936 8.255 6.415 1.00 0.00 O ATOM 185 CB CYS A 15 9.004 5.056 6.801 1.00 0.00 C ATOM 186 SG CYS A 15 7.503 4.553 7.703 1.00 0.00 S ATOM 0 H CYS A 15 9.827 4.998 9.122 1.00 0.00 H new ATOM 0 HA CYS A 15 10.661 6.424 6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.730 5.318 5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.682 4.204 6.741 1.00 0.00 H new ATOM 191 N GLY A 16 8.065 7.688 8.410 1.00 0.00 N ATOM 192 CA GLY A 16 7.194 8.847 8.457 1.00 0.00 C ATOM 193 C GLY A 16 5.759 8.481 8.779 1.00 0.00 C ATOM 194 O GLY A 16 4.977 9.326 9.216 1.00 0.00 O ATOM 0 H GLY A 16 7.997 7.068 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.564 9.546 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.228 9.362 7.497 1.00 0.00 H new ATOM 198 N LYS A 17 5.409 7.218 8.562 1.00 0.00 N ATOM 199 CA LYS A 17 4.058 6.740 8.832 1.00 0.00 C ATOM 200 C LYS A 17 3.701 6.919 10.304 1.00 0.00 C ATOM 201 O LYS A 17 4.473 7.489 11.075 1.00 0.00 O ATOM 202 CB LYS A 17 3.928 5.267 8.440 1.00 0.00 C ATOM 203 CG LYS A 17 4.213 5.000 6.972 1.00 0.00 C ATOM 204 CD LYS A 17 4.105 3.520 6.643 1.00 0.00 C ATOM 205 CE LYS A 17 2.691 3.143 6.231 1.00 0.00 C ATOM 206 NZ LYS A 17 2.547 1.675 6.021 1.00 0.00 N ATOM 0 H LYS A 17 6.043 6.506 8.199 1.00 0.00 H new ATOM 0 HA LYS A 17 3.364 7.331 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.613 4.676 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.920 4.925 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.512 5.563 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.213 5.357 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.798 3.274 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.402 2.931 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.990 3.471 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.428 3.669 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.569 1.459 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.198 1.366 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.773 1.174 6.904 1.00 0.00 H new ATOM 220 N SER A 18 2.527 6.428 10.687 1.00 0.00 N ATOM 221 CA SER A 18 2.067 6.536 12.067 1.00 0.00 C ATOM 222 C SER A 18 1.071 5.427 12.396 1.00 0.00 C ATOM 223 O SER A 18 0.082 5.236 11.689 1.00 0.00 O ATOM 224 CB SER A 18 1.423 7.903 12.306 1.00 0.00 C ATOM 225 OG SER A 18 2.217 8.943 11.763 1.00 0.00 O ATOM 0 H SER A 18 1.877 5.952 10.062 1.00 0.00 H new ATOM 0 HA SER A 18 2.932 6.430 12.722 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.431 7.925 11.855 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.290 8.064 13.376 1.00 0.00 H new ATOM 0 HG SER A 18 1.783 9.806 11.928 1.00 0.00 H new ATOM 231 N PHE A 19 1.342 4.699 13.474 1.00 0.00 N ATOM 232 CA PHE A 19 0.471 3.609 13.898 1.00 0.00 C ATOM 233 C PHE A 19 -0.247 3.960 15.198 1.00 0.00 C ATOM 234 O PHE A 19 0.164 4.866 15.924 1.00 0.00 O ATOM 235 CB PHE A 19 1.281 2.324 14.081 1.00 0.00 C ATOM 236 CG PHE A 19 2.052 1.921 12.856 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.173 2.635 12.462 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.657 0.830 12.100 1.00 0.00 C ATOM 239 CE1 PHE A 19 3.883 2.267 11.335 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.364 0.457 10.972 1.00 0.00 C ATOM 241 CZ PHE A 19 3.479 1.177 10.590 1.00 0.00 C ATOM 0 H PHE A 19 2.157 4.844 14.070 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.278 3.452 13.121 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.976 2.457 14.910 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.605 1.515 14.358 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.495 3.488 13.042 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.786 0.264 12.395 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.754 2.832 11.037 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.045 -0.396 10.391 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.034 0.888 9.710 1.00 0.00 H new ATOM 251 N THR A 20 -1.324 3.236 15.486 1.00 0.00 N ATOM 252 CA THR A 20 -2.102 3.471 16.696 1.00 0.00 C ATOM 253 C THR A 20 -1.352 2.991 17.933 1.00 0.00 C ATOM 254 O THR A 20 -1.485 3.566 19.014 1.00 0.00 O ATOM 255 CB THR A 20 -3.469 2.763 16.631 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.183 3.184 15.464 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.294 3.066 17.873 1.00 0.00 C ATOM 0 H THR A 20 -1.677 2.482 14.897 1.00 0.00 H new ATOM 0 HA THR A 20 -2.261 4.547 16.766 1.00 0.00 H new ATOM 0 HB THR A 20 -3.295 1.688 16.582 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.050 2.728 15.429 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.255 2.556 17.805 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.760 2.719 18.758 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.459 4.141 17.947 1.00 0.00 H new ATOM 265 N HIS A 21 -0.562 1.935 17.768 1.00 0.00 N ATOM 266 CA HIS A 21 0.211 1.378 18.872 1.00 0.00 C ATOM 267 C HIS A 21 1.708 1.508 18.607 1.00 0.00 C ATOM 268 O HIS A 21 2.130 1.750 17.477 1.00 0.00 O ATOM 269 CB HIS A 21 -0.155 -0.090 19.090 1.00 0.00 C ATOM 270 CG HIS A 21 -1.429 -0.283 19.854 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.810 0.531 20.900 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.412 -1.203 19.718 1.00 0.00 C ATOM 273 CE1 HIS A 21 -2.972 0.119 21.374 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.359 -0.932 20.674 1.00 0.00 N ATOM 0 H HIS A 21 -0.440 1.448 16.880 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.031 1.942 19.773 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.244 -0.581 18.121 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.657 -0.583 19.624 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.445 -2.002 18.992 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.514 0.566 22.195 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.221 -1.457 20.820 1.00 0.00 H new ATOM 282 N LYS A 22 2.506 1.345 19.657 1.00 0.00 N ATOM 283 CA LYS A 22 3.956 1.443 19.539 1.00 0.00 C ATOM 284 C LYS A 22 4.544 0.153 18.975 1.00 0.00 C ATOM 285 O LYS A 22 5.509 0.182 18.211 1.00 0.00 O ATOM 286 CB LYS A 22 4.580 1.747 20.902 1.00 0.00 C ATOM 287 CG LYS A 22 3.909 1.019 22.055 1.00 0.00 C ATOM 288 CD LYS A 22 2.786 1.847 22.658 1.00 0.00 C ATOM 289 CE LYS A 22 1.702 0.963 23.255 1.00 0.00 C ATOM 290 NZ LYS A 22 0.849 0.345 22.203 1.00 0.00 N ATOM 0 H LYS A 22 2.173 1.144 20.600 1.00 0.00 H new ATOM 0 HA LYS A 22 4.185 2.257 18.852 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.636 1.476 20.877 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.531 2.821 21.083 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.512 0.067 21.704 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.648 0.792 22.823 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.189 2.502 23.430 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.353 2.488 21.891 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.163 0.179 23.856 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.079 1.555 23.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.236 -0.377 22.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.261 1.078 21.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.453 -0.099 21.482 1.00 0.00 H new ATOM 304 N SER A 23 3.956 -0.977 19.356 1.00 0.00 N ATOM 305 CA SER A 23 4.424 -2.277 18.890 1.00 0.00 C ATOM 306 C SER A 23 4.234 -2.414 17.383 1.00 0.00 C ATOM 307 O SER A 23 5.039 -3.048 16.701 1.00 0.00 O ATOM 308 CB SER A 23 3.678 -3.400 19.614 1.00 0.00 C ATOM 309 OG SER A 23 2.276 -3.199 19.559 1.00 0.00 O ATOM 0 H SER A 23 3.155 -1.018 19.986 1.00 0.00 H new ATOM 0 HA SER A 23 5.488 -2.354 19.113 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.929 -4.359 19.161 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.002 -3.444 20.654 1.00 0.00 H new ATOM 0 HG SER A 23 1.822 -3.931 20.027 1.00 0.00 H new ATOM 315 N GLN A 24 3.165 -1.814 16.870 1.00 0.00 N ATOM 316 CA GLN A 24 2.869 -1.870 15.443 1.00 0.00 C ATOM 317 C GLN A 24 3.806 -0.959 14.657 1.00 0.00 C ATOM 318 O GLN A 24 4.114 -1.224 13.495 1.00 0.00 O ATOM 319 CB GLN A 24 1.415 -1.470 15.187 1.00 0.00 C ATOM 320 CG GLN A 24 0.437 -2.630 15.286 1.00 0.00 C ATOM 321 CD GLN A 24 0.447 -3.508 14.051 1.00 0.00 C ATOM 322 OE1 GLN A 24 0.187 -3.042 12.941 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.748 -4.788 14.237 1.00 0.00 N ATOM 0 H GLN A 24 2.490 -1.284 17.421 1.00 0.00 H new ATOM 0 HA GLN A 24 3.021 -2.895 15.105 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.127 -0.701 15.904 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.339 -1.025 14.195 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.683 -3.234 16.159 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.569 -2.240 15.442 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.957 -5.132 15.174 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.770 -5.427 13.443 1.00 0.00 H new ATOM 332 N ARG A 25 4.254 0.115 15.298 1.00 0.00 N ATOM 333 CA ARG A 25 5.155 1.066 14.658 1.00 0.00 C ATOM 334 C ARG A 25 6.603 0.593 14.754 1.00 0.00 C ATOM 335 O ARG A 25 7.415 0.866 13.870 1.00 0.00 O ATOM 336 CB ARG A 25 5.015 2.447 15.301 1.00 0.00 C ATOM 337 CG ARG A 25 6.031 3.459 14.799 1.00 0.00 C ATOM 338 CD ARG A 25 7.303 3.431 15.632 1.00 0.00 C ATOM 339 NE ARG A 25 7.030 3.620 17.055 1.00 0.00 N ATOM 340 CZ ARG A 25 7.889 3.301 18.017 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.069 2.780 17.710 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.568 3.503 19.288 1.00 0.00 N ATOM 0 H ARG A 25 4.008 0.349 16.260 1.00 0.00 H new ATOM 0 HA ARG A 25 4.882 1.134 13.605 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.011 2.827 15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.118 2.347 16.382 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.272 3.248 13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.597 4.458 14.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.812 2.479 15.484 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.980 4.212 15.286 1.00 0.00 H new ATOM 0 HE ARG A 25 6.131 4.019 17.325 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.319 2.623 16.734 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.727 2.536 18.450 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.661 3.904 19.527 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.228 3.258 20.026 1.00 0.00 H new ATOM 356 N ASP A 26 6.918 -0.116 15.832 1.00 0.00 N ATOM 357 CA ASP A 26 8.267 -0.627 16.044 1.00 0.00 C ATOM 358 C ASP A 26 8.634 -1.651 14.974 1.00 0.00 C ATOM 359 O ASP A 26 9.671 -1.536 14.321 1.00 0.00 O ATOM 360 CB ASP A 26 8.384 -1.257 17.432 1.00 0.00 C ATOM 361 CG ASP A 26 9.824 -1.513 17.832 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.657 -1.751 16.932 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.118 -1.475 19.045 1.00 0.00 O ATOM 0 H ASP A 26 6.257 -0.350 16.573 1.00 0.00 H new ATOM 0 HA ASP A 26 8.962 0.210 15.974 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.917 -0.601 18.166 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.833 -2.197 17.449 1.00 0.00 H new ATOM 368 N ARG A 27 7.777 -2.652 14.802 1.00 0.00 N ATOM 369 CA ARG A 27 8.012 -3.698 13.813 1.00 0.00 C ATOM 370 C ARG A 27 8.369 -3.094 12.458 1.00 0.00 C ATOM 371 O ARG A 27 9.094 -3.700 11.668 1.00 0.00 O ATOM 372 CB ARG A 27 6.776 -4.588 13.677 1.00 0.00 C ATOM 373 CG ARG A 27 5.633 -3.932 12.919 1.00 0.00 C ATOM 374 CD ARG A 27 4.488 -4.905 12.687 1.00 0.00 C ATOM 375 NE ARG A 27 4.650 -5.655 11.445 1.00 0.00 N ATOM 376 CZ ARG A 27 3.808 -6.601 11.042 1.00 0.00 C ATOM 377 NH1 ARG A 27 2.752 -6.911 11.781 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.023 -7.240 9.899 1.00 0.00 N ATOM 0 H ARG A 27 6.914 -2.761 15.334 1.00 0.00 H new ATOM 0 HA ARG A 27 8.851 -4.304 14.154 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.057 -5.510 13.167 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.428 -4.867 14.672 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.271 -3.070 13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.996 -3.561 11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.427 -5.600 13.525 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.546 -4.357 12.659 1.00 0.00 H new ATOM 0 HE ARG A 27 5.453 -5.441 10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.584 -6.423 12.661 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.107 -7.637 11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.835 -7.005 9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.376 -7.966 9.591 1.00 0.00 H new ATOM 392 N HIS A 28 7.855 -1.897 12.195 1.00 0.00 N ATOM 393 CA HIS A 28 8.119 -1.211 10.935 1.00 0.00 C ATOM 394 C HIS A 28 9.455 -0.475 10.987 1.00 0.00 C ATOM 395 O HIS A 28 10.074 -0.219 9.955 1.00 0.00 O ATOM 396 CB HIS A 28 6.993 -0.226 10.620 1.00 0.00 C ATOM 397 CG HIS A 28 6.771 -0.019 9.154 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.876 1.214 8.544 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.451 -0.896 8.174 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.627 1.086 7.252 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.367 -0.185 7.002 1.00 0.00 N ATOM 0 H HIS A 28 7.253 -1.382 12.837 1.00 0.00 H new ATOM 0 HA HIS A 28 8.167 -1.960 10.145 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.069 -0.587 11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.221 0.734 11.084 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.291 -1.958 8.292 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.635 1.884 6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.141 -0.575 6.087 1.00 0.00 H new ATOM 409 N MET A 29 9.892 -0.137 12.196 1.00 0.00 N ATOM 410 CA MET A 29 11.154 0.569 12.382 1.00 0.00 C ATOM 411 C MET A 29 12.330 -0.402 12.353 1.00 0.00 C ATOM 412 O MET A 29 13.397 -0.085 11.827 1.00 0.00 O ATOM 413 CB MET A 29 11.144 1.337 13.705 1.00 0.00 C ATOM 414 CG MET A 29 10.616 2.757 13.580 1.00 0.00 C ATOM 415 SD MET A 29 11.225 3.842 14.885 1.00 0.00 S ATOM 416 CE MET A 29 12.988 3.790 14.574 1.00 0.00 C ATOM 0 H MET A 29 9.391 -0.341 13.061 1.00 0.00 H new ATOM 0 HA MET A 29 11.270 1.276 11.561 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.534 0.794 14.426 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.158 1.369 14.105 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.904 3.164 12.611 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.526 2.739 13.607 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.402 4.794 14.660 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.467 3.136 15.303 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.169 3.408 13.569 1.00 0.00 H new ATOM 426 N SER A 30 12.128 -1.586 12.923 1.00 0.00 N ATOM 427 CA SER A 30 13.173 -2.602 12.967 1.00 0.00 C ATOM 428 C SER A 30 13.438 -3.169 11.575 1.00 0.00 C ATOM 429 O SER A 30 14.569 -3.518 11.240 1.00 0.00 O ATOM 430 CB SER A 30 12.778 -3.730 13.922 1.00 0.00 C ATOM 431 OG SER A 30 12.929 -3.329 15.273 1.00 0.00 O ATOM 0 H SER A 30 11.250 -1.865 13.361 1.00 0.00 H new ATOM 0 HA SER A 30 14.087 -2.132 13.330 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.744 -4.021 13.739 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.395 -4.608 13.728 1.00 0.00 H new ATOM 0 HG SER A 30 12.106 -2.894 15.579 1.00 0.00 H new ATOM 437 N MET A 31 12.385 -3.257 10.769 1.00 0.00 N ATOM 438 CA MET A 31 12.503 -3.780 9.412 1.00 0.00 C ATOM 439 C MET A 31 13.278 -2.813 8.523 1.00 0.00 C ATOM 440 O MET A 31 13.974 -3.229 7.595 1.00 0.00 O ATOM 441 CB MET A 31 11.116 -4.037 8.820 1.00 0.00 C ATOM 442 CG MET A 31 10.409 -2.773 8.358 1.00 0.00 C ATOM 443 SD MET A 31 9.105 -3.106 7.158 1.00 0.00 S ATOM 444 CE MET A 31 9.233 -1.660 6.109 1.00 0.00 C ATOM 0 H MET A 31 11.441 -2.973 11.031 1.00 0.00 H new ATOM 0 HA MET A 31 13.050 -4.721 9.457 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.211 -4.720 7.976 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.498 -4.537 9.566 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.981 -2.264 9.222 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.139 -2.094 7.917 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.537 -1.753 5.275 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.990 -0.768 6.687 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.250 -1.578 5.725 1.00 0.00 H new ATOM 454 N HIS A 32 13.153 -1.521 8.810 1.00 0.00 N ATOM 455 CA HIS A 32 13.843 -0.495 8.035 1.00 0.00 C ATOM 456 C HIS A 32 15.347 -0.750 8.014 1.00 0.00 C ATOM 457 O HIS A 32 15.989 -0.649 6.968 1.00 0.00 O ATOM 458 CB HIS A 32 13.557 0.890 8.615 1.00 0.00 C ATOM 459 CG HIS A 32 12.180 1.395 8.308 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.531 1.137 7.120 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.329 2.147 9.044 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.341 1.708 7.137 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.193 2.328 8.294 1.00 0.00 N ATOM 0 H HIS A 32 12.581 -1.160 9.573 1.00 0.00 H new ATOM 0 HA HIS A 32 13.471 -0.536 7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.690 0.857 9.696 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.290 1.597 8.225 1.00 0.00 H new ATOM 0 HD1 HIS A 32 11.911 0.590 6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.510 2.533 10.036 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.612 1.674 6.341 1.00 0.00 H new ATOM 471 N LEU A 33 15.903 -1.080 9.174 1.00 0.00 N ATOM 472 CA LEU A 33 17.332 -1.348 9.289 1.00 0.00 C ATOM 473 C LEU A 33 17.694 -2.668 8.615 1.00 0.00 C ATOM 474 O LEU A 33 17.418 -3.744 9.145 1.00 0.00 O ATOM 475 CB LEU A 33 17.748 -1.383 10.761 1.00 0.00 C ATOM 476 CG LEU A 33 17.326 -0.180 11.606 1.00 0.00 C ATOM 477 CD1 LEU A 33 17.461 -0.496 13.088 1.00 0.00 C ATOM 478 CD2 LEU A 33 18.153 1.044 11.242 1.00 0.00 C ATOM 0 H LEU A 33 15.386 -1.168 10.049 1.00 0.00 H new ATOM 0 HA LEU A 33 17.869 -0.544 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.333 -2.283 11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.833 -1.473 10.809 1.00 0.00 H new ATOM 0 HG LEU A 33 16.279 0.039 11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.157 0.371 13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.825 -1.345 13.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.499 -0.741 13.315 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.839 1.890 11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.208 0.837 11.423 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.006 1.283 10.189 1.00 0.00 H new ATOM 490 N GLY A 34 18.316 -2.578 7.444 1.00 0.00 N ATOM 491 CA GLY A 34 18.708 -3.772 6.718 1.00 0.00 C ATOM 492 C GLY A 34 18.107 -3.828 5.327 1.00 0.00 C ATOM 493 O GLY A 34 17.020 -3.300 5.090 1.00 0.00 O ATOM 0 H GLY A 34 18.556 -1.699 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.795 -3.807 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.399 -4.653 7.280 1.00 0.00 H new ATOM 497 N LEU A 35 18.817 -4.467 4.404 1.00 0.00 N ATOM 498 CA LEU A 35 18.349 -4.589 3.028 1.00 0.00 C ATOM 499 C LEU A 35 16.911 -5.096 2.985 1.00 0.00 C ATOM 500 O LEU A 35 15.979 -4.332 2.733 1.00 0.00 O ATOM 501 CB LEU A 35 19.258 -5.534 2.240 1.00 0.00 C ATOM 502 CG LEU A 35 20.701 -5.067 2.043 1.00 0.00 C ATOM 503 CD1 LEU A 35 21.565 -6.207 1.525 1.00 0.00 C ATOM 504 CD2 LEU A 35 20.753 -3.881 1.091 1.00 0.00 C ATOM 0 H LEU A 35 19.719 -4.909 4.583 1.00 0.00 H new ATOM 0 HA LEU A 35 18.381 -3.600 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 35 19.275 -6.498 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.813 -5.700 1.259 1.00 0.00 H new ATOM 0 HG LEU A 35 21.095 -4.750 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 35 22.588 -5.856 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.554 -7.027 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 35 21.173 -6.556 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 35 21.787 -3.562 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 35 20.340 -4.172 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 20.168 -3.058 1.502 1.00 0.00 H new ATOM 516 N ARG A 36 16.737 -6.390 3.235 1.00 0.00 N ATOM 517 CA ARG A 36 15.412 -6.999 3.226 1.00 0.00 C ATOM 518 C ARG A 36 15.268 -8.003 4.366 1.00 0.00 C ATOM 519 O ARG A 36 16.171 -8.788 4.653 1.00 0.00 O ATOM 520 CB ARG A 36 15.156 -7.692 1.886 1.00 0.00 C ATOM 521 CG ARG A 36 14.777 -6.735 0.768 1.00 0.00 C ATOM 522 CD ARG A 36 16.005 -6.221 0.034 1.00 0.00 C ATOM 523 NE ARG A 36 15.655 -5.532 -1.205 1.00 0.00 N ATOM 524 CZ ARG A 36 15.386 -6.159 -2.344 1.00 0.00 C ATOM 525 NH1 ARG A 36 15.428 -7.483 -2.402 1.00 0.00 N ATOM 526 NH2 ARG A 36 15.075 -5.461 -3.429 1.00 0.00 N ATOM 0 H ARG A 36 17.497 -7.037 3.446 1.00 0.00 H new ATOM 0 HA ARG A 36 14.674 -6.209 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.051 -8.242 1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.359 -8.424 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.116 -7.240 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.220 -5.894 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.557 -5.541 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.669 -7.056 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 36 15.615 -4.513 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.667 -8.023 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.221 -7.962 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.043 -4.442 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.868 -5.943 -4.304 1.00 0.00 H new ATOM 540 N PRO A 37 14.104 -7.978 5.032 1.00 0.00 N ATOM 541 CA PRO A 37 13.813 -8.878 6.152 1.00 0.00 C ATOM 542 C PRO A 37 13.636 -10.324 5.701 1.00 0.00 C ATOM 543 O PRO A 37 13.811 -11.256 6.487 1.00 0.00 O ATOM 544 CB PRO A 37 12.500 -8.330 6.716 1.00 0.00 C ATOM 545 CG PRO A 37 11.858 -7.630 5.569 1.00 0.00 C ATOM 546 CD PRO A 37 12.982 -7.068 4.744 1.00 0.00 C ATOM 0 HA PRO A 37 14.626 -8.903 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.867 -9.132 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.680 -7.647 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.250 -8.319 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.196 -6.837 5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.735 -7.058 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.214 -6.041 5.027 1.00 0.00 H new ATOM 554 N TYR A 38 13.290 -10.505 4.432 1.00 0.00 N ATOM 555 CA TYR A 38 13.088 -11.839 3.877 1.00 0.00 C ATOM 556 C TYR A 38 14.283 -12.263 3.029 1.00 0.00 C ATOM 557 O TYR A 38 15.085 -11.432 2.607 1.00 0.00 O ATOM 558 CB TYR A 38 11.811 -11.876 3.035 1.00 0.00 C ATOM 559 CG TYR A 38 10.576 -11.433 3.787 1.00 0.00 C ATOM 560 CD1 TYR A 38 10.217 -10.092 3.843 1.00 0.00 C ATOM 561 CD2 TYR A 38 9.770 -12.355 4.443 1.00 0.00 C ATOM 562 CE1 TYR A 38 9.090 -9.683 4.529 1.00 0.00 C ATOM 563 CE2 TYR A 38 8.641 -11.956 5.130 1.00 0.00 C ATOM 564 CZ TYR A 38 8.305 -10.618 5.171 1.00 0.00 C ATOM 565 OH TYR A 38 7.181 -10.216 5.856 1.00 0.00 O ATOM 0 H TYR A 38 13.143 -9.745 3.767 1.00 0.00 H new ATOM 0 HA TYR A 38 12.988 -12.539 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.943 -11.237 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.658 -12.891 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.829 -9.357 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.031 -13.403 4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.825 -8.637 4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.024 -12.687 5.632 1.00 0.00 H new ATOM 0 HH TYR A 38 6.951 -9.299 5.597 1.00 0.00 H new ATOM 575 N GLY A 39 14.393 -13.565 2.783 1.00 0.00 N ATOM 576 CA GLY A 39 15.492 -14.079 1.986 1.00 0.00 C ATOM 577 C GLY A 39 15.240 -15.490 1.493 1.00 0.00 C ATOM 578 O GLY A 39 14.763 -16.342 2.243 1.00 0.00 O ATOM 0 H GLY A 39 13.741 -14.273 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.655 -13.422 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.406 -14.063 2.580 1.00 0.00 H new ATOM 582 N CYS A 40 15.559 -15.738 0.227 1.00 0.00 N ATOM 583 CA CYS A 40 15.363 -17.055 -0.367 1.00 0.00 C ATOM 584 C CYS A 40 16.552 -17.966 -0.075 1.00 0.00 C ATOM 585 O CYS A 40 17.620 -17.821 -0.668 1.00 0.00 O ATOM 586 CB CYS A 40 15.162 -16.931 -1.879 1.00 0.00 C ATOM 587 SG CYS A 40 15.099 -18.527 -2.754 1.00 0.00 S ATOM 0 H CYS A 40 15.954 -15.044 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 40 14.471 -17.497 0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.236 -16.388 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.973 -16.333 -2.295 1.00 0.00 H new ATOM 592 N GLY A 41 16.358 -18.906 0.845 1.00 0.00 N ATOM 593 CA GLY A 41 17.422 -19.827 1.201 1.00 0.00 C ATOM 594 C GLY A 41 17.559 -20.966 0.209 1.00 0.00 C ATOM 595 O GLY A 41 17.831 -22.104 0.592 1.00 0.00 O ATOM 0 H GLY A 41 15.483 -19.046 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.365 -19.283 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.229 -20.235 2.193 1.00 0.00 H new ATOM 599 N VAL A 42 17.368 -20.660 -1.071 1.00 0.00 N ATOM 600 CA VAL A 42 17.471 -21.667 -2.120 1.00 0.00 C ATOM 601 C VAL A 42 18.392 -21.199 -3.242 1.00 0.00 C ATOM 602 O VAL A 42 19.246 -21.951 -3.713 1.00 0.00 O ATOM 603 CB VAL A 42 16.089 -22.003 -2.713 1.00 0.00 C ATOM 604 CG1 VAL A 42 16.216 -23.064 -3.796 1.00 0.00 C ATOM 605 CG2 VAL A 42 15.137 -22.459 -1.617 1.00 0.00 C ATOM 0 H VAL A 42 17.141 -19.724 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 42 17.889 -22.562 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 42 15.679 -21.102 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.230 -23.288 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 42 16.862 -22.695 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.647 -23.970 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.166 -22.692 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.540 -23.348 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.023 -21.664 -0.880 1.00 0.00 H new ATOM 615 N CYS A 43 18.214 -19.952 -3.665 1.00 0.00 N ATOM 616 CA CYS A 43 19.028 -19.382 -4.731 1.00 0.00 C ATOM 617 C CYS A 43 19.924 -18.269 -4.196 1.00 0.00 C ATOM 618 O CYS A 43 21.080 -18.140 -4.599 1.00 0.00 O ATOM 619 CB CYS A 43 18.136 -18.840 -5.849 1.00 0.00 C ATOM 620 SG CYS A 43 17.266 -17.297 -5.424 1.00 0.00 S ATOM 0 H CYS A 43 17.512 -19.317 -3.285 1.00 0.00 H new ATOM 0 HA CYS A 43 19.661 -20.173 -5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 43 18.747 -18.668 -6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.399 -19.599 -6.112 1.00 0.00 H new ATOM 625 N GLY A 44 19.382 -17.468 -3.284 1.00 0.00 N ATOM 626 CA GLY A 44 20.146 -16.377 -2.707 1.00 0.00 C ATOM 627 C GLY A 44 19.526 -15.022 -2.990 1.00 0.00 C ATOM 628 O GLY A 44 20.232 -14.021 -3.114 1.00 0.00 O ATOM 0 H GLY A 44 18.428 -17.555 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 44 20.222 -16.521 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.161 -16.399 -3.103 1.00 0.00 H new ATOM 632 N LYS A 45 18.202 -14.990 -3.094 1.00 0.00 N ATOM 633 CA LYS A 45 17.485 -13.749 -3.364 1.00 0.00 C ATOM 634 C LYS A 45 16.887 -13.176 -2.083 1.00 0.00 C ATOM 635 O LYS A 45 17.027 -13.756 -1.007 1.00 0.00 O ATOM 636 CB LYS A 45 16.379 -13.989 -4.394 1.00 0.00 C ATOM 637 CG LYS A 45 16.832 -13.789 -5.830 1.00 0.00 C ATOM 638 CD LYS A 45 15.652 -13.550 -6.758 1.00 0.00 C ATOM 639 CE LYS A 45 16.109 -13.072 -8.128 1.00 0.00 C ATOM 640 NZ LYS A 45 14.958 -12.779 -9.026 1.00 0.00 N ATOM 0 H LYS A 45 17.603 -15.810 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 45 18.196 -13.027 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.001 -15.005 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.548 -13.315 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.515 -12.941 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.387 -14.666 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.079 -14.471 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.985 -12.810 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.719 -12.176 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.742 -13.832 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.311 -12.456 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.390 -13.641 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.368 -12.035 -8.602 1.00 0.00 H new ATOM 654 N LYS A 46 16.218 -12.035 -2.207 1.00 0.00 N ATOM 655 CA LYS A 46 15.595 -11.384 -1.061 1.00 0.00 C ATOM 656 C LYS A 46 14.481 -10.443 -1.508 1.00 0.00 C ATOM 657 O LYS A 46 14.486 -9.950 -2.636 1.00 0.00 O ATOM 658 CB LYS A 46 16.641 -10.607 -0.258 1.00 0.00 C ATOM 659 CG LYS A 46 17.741 -11.483 0.315 1.00 0.00 C ATOM 660 CD LYS A 46 18.485 -10.781 1.439 1.00 0.00 C ATOM 661 CE LYS A 46 19.455 -9.741 0.900 1.00 0.00 C ATOM 662 NZ LYS A 46 18.748 -8.525 0.408 1.00 0.00 N ATOM 0 H LYS A 46 16.093 -11.541 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 46 15.161 -12.158 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.089 -9.848 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.144 -10.082 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.310 -12.412 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.443 -11.751 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.769 -10.301 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.030 -11.516 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.159 -9.460 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.039 -10.175 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.303 -7.679 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.637 -8.582 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.811 -8.464 0.854 1.00 0.00 H new ATOM 676 N PHE A 47 13.526 -10.197 -0.617 1.00 0.00 N ATOM 677 CA PHE A 47 12.406 -9.315 -0.920 1.00 0.00 C ATOM 678 C PHE A 47 12.000 -8.509 0.310 1.00 0.00 C ATOM 679 O PHE A 47 11.994 -9.023 1.429 1.00 0.00 O ATOM 680 CB PHE A 47 11.213 -10.127 -1.428 1.00 0.00 C ATOM 681 CG PHE A 47 11.554 -11.045 -2.567 1.00 0.00 C ATOM 682 CD1 PHE A 47 12.411 -12.117 -2.378 1.00 0.00 C ATOM 683 CD2 PHE A 47 11.017 -10.835 -3.828 1.00 0.00 C ATOM 684 CE1 PHE A 47 12.727 -12.962 -3.425 1.00 0.00 C ATOM 685 CE2 PHE A 47 11.329 -11.677 -4.878 1.00 0.00 C ATOM 686 CZ PHE A 47 12.184 -12.743 -4.676 1.00 0.00 C ATOM 0 H PHE A 47 13.506 -10.597 0.321 1.00 0.00 H new ATOM 0 HA PHE A 47 12.723 -8.621 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.808 -10.717 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.427 -9.442 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.837 -12.294 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.347 -10.004 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.398 -13.793 -3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.905 -11.502 -5.856 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.427 -13.404 -5.495 1.00 0.00 H new ATOM 696 N LYS A 48 11.661 -7.243 0.095 1.00 0.00 N ATOM 697 CA LYS A 48 11.252 -6.363 1.184 1.00 0.00 C ATOM 698 C LYS A 48 9.923 -6.816 1.780 1.00 0.00 C ATOM 699 O LYS A 48 9.756 -6.843 2.999 1.00 0.00 O ATOM 700 CB LYS A 48 11.135 -4.921 0.687 1.00 0.00 C ATOM 701 CG LYS A 48 10.917 -3.910 1.799 1.00 0.00 C ATOM 702 CD LYS A 48 12.234 -3.429 2.383 1.00 0.00 C ATOM 703 CE LYS A 48 12.130 -2.000 2.891 1.00 0.00 C ATOM 704 NZ LYS A 48 13.048 -1.750 4.037 1.00 0.00 N ATOM 0 H LYS A 48 11.661 -6.802 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 48 12.014 -6.411 1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.042 -4.659 0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.308 -4.855 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.357 -3.058 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.312 -4.359 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.532 -4.086 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.014 -3.490 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.364 -1.309 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.104 -1.797 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.947 -0.765 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.809 -2.392 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.030 -1.919 3.738 1.00 0.00 H new ATOM 718 N MET A 49 8.982 -7.173 0.912 1.00 0.00 N ATOM 719 CA MET A 49 7.669 -7.628 1.353 1.00 0.00 C ATOM 720 C MET A 49 7.601 -9.151 1.380 1.00 0.00 C ATOM 721 O MET A 49 8.345 -9.828 0.670 1.00 0.00 O ATOM 722 CB MET A 49 6.578 -7.073 0.435 1.00 0.00 C ATOM 723 CG MET A 49 6.853 -5.659 -0.050 1.00 0.00 C ATOM 724 SD MET A 49 5.410 -4.895 -0.816 1.00 0.00 S ATOM 725 CE MET A 49 5.760 -3.160 -0.541 1.00 0.00 C ATOM 0 H MET A 49 9.104 -7.156 -0.100 1.00 0.00 H new ATOM 0 HA MET A 49 7.505 -7.257 2.365 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.472 -7.730 -0.428 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.626 -7.088 0.966 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.180 -5.048 0.791 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.673 -5.678 -0.768 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.955 -2.556 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.837 -2.970 0.529 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.701 -2.897 -1.025 1.00 0.00 H new ATOM 735 N LYS A 50 6.705 -9.685 2.203 1.00 0.00 N ATOM 736 CA LYS A 50 6.540 -11.129 2.322 1.00 0.00 C ATOM 737 C LYS A 50 5.990 -11.722 1.029 1.00 0.00 C ATOM 738 O LYS A 50 6.635 -12.558 0.395 1.00 0.00 O ATOM 739 CB LYS A 50 5.604 -11.461 3.487 1.00 0.00 C ATOM 740 CG LYS A 50 4.597 -10.365 3.789 1.00 0.00 C ATOM 741 CD LYS A 50 3.300 -10.936 4.339 1.00 0.00 C ATOM 742 CE LYS A 50 3.337 -11.045 5.855 1.00 0.00 C ATOM 743 NZ LYS A 50 2.267 -11.942 6.373 1.00 0.00 N ATOM 0 H LYS A 50 6.082 -9.139 2.798 1.00 0.00 H new ATOM 0 HA LYS A 50 7.519 -11.567 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.068 -12.383 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.201 -11.650 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.023 -9.667 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.390 -9.799 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.466 -10.301 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.123 -11.921 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.310 -11.422 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.223 -10.053 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.326 -11.990 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.337 -11.569 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.390 -12.895 5.975 1.00 0.00 H new ATOM 757 N HIS A 51 4.796 -11.283 0.643 1.00 0.00 N ATOM 758 CA HIS A 51 4.161 -11.770 -0.577 1.00 0.00 C ATOM 759 C HIS A 51 5.062 -11.542 -1.787 1.00 0.00 C ATOM 760 O HIS A 51 4.843 -12.116 -2.854 1.00 0.00 O ATOM 761 CB HIS A 51 2.816 -11.074 -0.789 1.00 0.00 C ATOM 762 CG HIS A 51 2.741 -9.714 -0.166 1.00 0.00 C ATOM 763 ND1 HIS A 51 1.878 -9.205 0.745 1.00 0.00 N flip ATOM 764 CD2 HIS A 51 3.624 -8.699 -0.465 1.00 0.00 C flip ATOM 765 CE1 HIS A 51 2.253 -7.904 0.977 1.00 0.00 C flip ATOM 766 NE2 HIS A 51 3.309 -7.624 0.235 1.00 0.00 N flip ATOM 0 H HIS A 51 4.249 -10.592 1.157 1.00 0.00 H new ATOM 0 HA HIS A 51 3.994 -12.842 -0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.627 -10.986 -1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.024 -11.698 -0.376 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.445 -8.771 -1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.764 -7.221 1.656 1.00 0.00 H new ATOM 0 HE2 HIS A 51 3.798 -6.729 0.207 1.00 0.00 H new ATOM 774 N HIS A 52 6.076 -10.700 -1.613 1.00 0.00 N ATOM 775 CA HIS A 52 7.011 -10.396 -2.691 1.00 0.00 C ATOM 776 C HIS A 52 8.009 -11.534 -2.882 1.00 0.00 C ATOM 777 O HIS A 52 8.577 -11.701 -3.962 1.00 0.00 O ATOM 778 CB HIS A 52 7.755 -9.093 -2.397 1.00 0.00 C ATOM 779 CG HIS A 52 7.019 -7.869 -2.846 1.00 0.00 C ATOM 780 ND1 HIS A 52 7.595 -6.617 -2.886 1.00 0.00 N ATOM 781 CD2 HIS A 52 5.746 -7.709 -3.277 1.00 0.00 C ATOM 782 CE1 HIS A 52 6.708 -5.740 -3.321 1.00 0.00 C ATOM 783 NE2 HIS A 52 5.578 -6.377 -3.566 1.00 0.00 N ATOM 0 H HIS A 52 6.271 -10.216 -0.736 1.00 0.00 H new ATOM 0 HA HIS A 52 6.440 -10.279 -3.612 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.939 -9.023 -1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.728 -9.122 -2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.001 -8.485 -3.375 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.878 -4.682 -3.454 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.720 -5.949 -3.913 1.00 0.00 H new ATOM 791 N LEU A 53 8.218 -12.314 -1.827 1.00 0.00 N ATOM 792 CA LEU A 53 9.148 -13.437 -1.879 1.00 0.00 C ATOM 793 C LEU A 53 8.460 -14.691 -2.407 1.00 0.00 C ATOM 794 O LEU A 53 9.041 -15.452 -3.181 1.00 0.00 O ATOM 795 CB LEU A 53 9.730 -13.706 -0.489 1.00 0.00 C ATOM 796 CG LEU A 53 10.518 -15.007 -0.333 1.00 0.00 C ATOM 797 CD1 LEU A 53 11.807 -14.950 -1.139 1.00 0.00 C ATOM 798 CD2 LEU A 53 10.817 -15.276 1.135 1.00 0.00 C ATOM 0 H LEU A 53 7.757 -12.190 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 53 9.957 -13.176 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.383 -12.875 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.912 -13.711 0.231 1.00 0.00 H new ATOM 0 HG LEU A 53 9.910 -15.826 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.355 -15.884 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.571 -14.804 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.420 -14.121 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.378 -16.206 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.406 -14.454 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.881 -15.361 1.687 1.00 0.00 H new ATOM 810 N VAL A 54 7.217 -14.900 -1.985 1.00 0.00 N ATOM 811 CA VAL A 54 6.447 -16.060 -2.418 1.00 0.00 C ATOM 812 C VAL A 54 6.419 -16.165 -3.938 1.00 0.00 C ATOM 813 O VAL A 54 6.893 -17.144 -4.512 1.00 0.00 O ATOM 814 CB VAL A 54 5.001 -16.002 -1.892 1.00 0.00 C ATOM 815 CG1 VAL A 54 4.104 -16.936 -2.690 1.00 0.00 C ATOM 816 CG2 VAL A 54 4.959 -16.347 -0.411 1.00 0.00 C ATOM 0 H VAL A 54 6.722 -14.281 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 54 6.941 -16.939 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 54 4.629 -14.985 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.086 -16.881 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.110 -16.639 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.472 -17.958 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.930 -16.301 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.350 -17.353 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.567 -15.634 0.146 1.00 0.00 H new ATOM 826 N GLY A 55 5.861 -15.146 -4.586 1.00 0.00 N ATOM 827 CA GLY A 55 5.782 -15.143 -6.035 1.00 0.00 C ATOM 828 C GLY A 55 7.050 -15.660 -6.686 1.00 0.00 C ATOM 829 O GLY A 55 7.018 -16.168 -7.808 1.00 0.00 O ATOM 0 H GLY A 55 5.463 -14.323 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.939 -15.757 -6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.586 -14.129 -6.383 1.00 0.00 H new ATOM 833 N HIS A 56 8.170 -15.530 -5.983 1.00 0.00 N ATOM 834 CA HIS A 56 9.455 -15.987 -6.500 1.00 0.00 C ATOM 835 C HIS A 56 9.756 -17.407 -6.030 1.00 0.00 C ATOM 836 O HIS A 56 10.217 -18.243 -6.806 1.00 0.00 O ATOM 837 CB HIS A 56 10.573 -15.043 -6.055 1.00 0.00 C ATOM 838 CG HIS A 56 11.922 -15.692 -6.010 1.00 0.00 C ATOM 839 ND1 HIS A 56 12.717 -15.852 -7.126 1.00 0.00 N ATOM 840 CD2 HIS A 56 12.617 -16.220 -4.976 1.00 0.00 C ATOM 841 CE1 HIS A 56 13.842 -16.452 -6.779 1.00 0.00 C ATOM 842 NE2 HIS A 56 13.806 -16.686 -5.480 1.00 0.00 N ATOM 0 H HIS A 56 8.214 -15.112 -5.054 1.00 0.00 H new ATOM 0 HA HIS A 56 9.401 -15.987 -7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.611 -14.192 -6.735 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.334 -14.651 -5.066 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.474 -15.554 -8.071 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.296 -16.266 -3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.653 -16.708 -7.445 1.00 0.00 H new ATOM 850 N MET A 57 9.491 -17.672 -4.755 1.00 0.00 N ATOM 851 CA MET A 57 9.733 -18.991 -4.182 1.00 0.00 C ATOM 852 C MET A 57 9.086 -20.080 -5.033 1.00 0.00 C ATOM 853 O MET A 57 9.542 -21.223 -5.049 1.00 0.00 O ATOM 854 CB MET A 57 9.194 -19.057 -2.752 1.00 0.00 C ATOM 855 CG MET A 57 9.898 -18.111 -1.793 1.00 0.00 C ATOM 856 SD MET A 57 11.259 -18.901 -0.913 1.00 0.00 S ATOM 857 CE MET A 57 12.177 -19.612 -2.277 1.00 0.00 C ATOM 0 H MET A 57 9.109 -16.991 -4.099 1.00 0.00 H new ATOM 0 HA MET A 57 10.810 -19.160 -4.164 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.129 -18.824 -2.763 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.294 -20.077 -2.382 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.278 -17.254 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.177 -17.729 -1.071 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.097 -20.060 -1.902 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.572 -20.378 -2.762 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.421 -18.831 -2.998 1.00 0.00 H new ATOM 867 N LYS A 58 8.020 -19.717 -5.738 1.00 0.00 N ATOM 868 CA LYS A 58 7.309 -20.662 -6.592 1.00 0.00 C ATOM 869 C LYS A 58 8.245 -21.259 -7.639 1.00 0.00 C ATOM 870 O LYS A 58 7.919 -22.261 -8.276 1.00 0.00 O ATOM 871 CB LYS A 58 6.130 -19.972 -7.281 1.00 0.00 C ATOM 872 CG LYS A 58 5.054 -19.500 -6.318 1.00 0.00 C ATOM 873 CD LYS A 58 4.270 -18.331 -6.888 1.00 0.00 C ATOM 874 CE LYS A 58 3.192 -18.800 -7.852 1.00 0.00 C ATOM 875 NZ LYS A 58 2.002 -19.339 -7.136 1.00 0.00 N ATOM 0 H LYS A 58 7.629 -18.775 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 58 6.932 -21.469 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.500 -19.117 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.686 -20.661 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.374 -20.323 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.513 -19.206 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.812 -17.768 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.950 -17.652 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.887 -17.969 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.601 -19.569 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.257 -19.569 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.270 -20.199 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.647 -18.626 -6.467 1.00 0.00 H new ATOM 889 N ILE A 59 9.407 -20.639 -7.810 1.00 0.00 N ATOM 890 CA ILE A 59 10.390 -21.111 -8.777 1.00 0.00 C ATOM 891 C ILE A 59 11.200 -22.274 -8.215 1.00 0.00 C ATOM 892 O ILE A 59 11.836 -23.019 -8.960 1.00 0.00 O ATOM 893 CB ILE A 59 11.353 -19.985 -9.197 1.00 0.00 C ATOM 894 CG1 ILE A 59 12.444 -19.798 -8.141 1.00 0.00 C ATOM 895 CG2 ILE A 59 10.588 -18.687 -9.412 1.00 0.00 C ATOM 896 CD1 ILE A 59 13.529 -18.830 -8.559 1.00 0.00 C ATOM 0 H ILE A 59 9.691 -19.808 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 59 9.834 -21.448 -9.652 1.00 0.00 H new ATOM 0 HB ILE A 59 11.828 -20.264 -10.138 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.987 -19.443 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 59 12.896 -20.765 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.282 -17.900 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.844 -18.829 -10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.089 -18.401 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.268 -18.746 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 59 14.012 -19.194 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.089 -17.851 -8.750 1.00 0.00 H new ATOM 908 N HIS A 60 11.170 -22.425 -6.894 1.00 0.00 N ATOM 909 CA HIS A 60 11.900 -23.499 -6.231 1.00 0.00 C ATOM 910 C HIS A 60 10.938 -24.522 -5.635 1.00 0.00 C ATOM 911 O HIS A 60 11.089 -25.727 -5.840 1.00 0.00 O ATOM 912 CB HIS A 60 12.803 -22.931 -5.135 1.00 0.00 C ATOM 913 CG HIS A 60 13.731 -21.860 -5.619 1.00 0.00 C ATOM 914 ND1 HIS A 60 14.646 -22.058 -6.632 1.00 0.00 N ATOM 915 CD2 HIS A 60 13.881 -20.574 -5.225 1.00 0.00 C ATOM 916 CE1 HIS A 60 15.320 -20.941 -6.838 1.00 0.00 C ATOM 917 NE2 HIS A 60 14.875 -20.025 -5.998 1.00 0.00 N ATOM 0 H HIS A 60 10.648 -21.817 -6.263 1.00 0.00 H new ATOM 0 HA HIS A 60 12.518 -23.999 -6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.181 -22.527 -4.336 1.00 0.00 H new ATOM 0 HB3 HIS A 60 13.390 -23.741 -4.703 1.00 0.00 H new ATOM 0 HD1 HIS A 60 14.781 -22.931 -7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 60 13.323 -20.073 -4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 60 16.102 -20.801 -7.569 1.00 0.00 H new ATOM 925 N THR A 61 9.948 -24.034 -4.893 1.00 0.00 N ATOM 926 CA THR A 61 8.963 -24.905 -4.265 1.00 0.00 C ATOM 927 C THR A 61 8.186 -25.699 -5.309 1.00 0.00 C ATOM 928 O THR A 61 7.106 -25.292 -5.736 1.00 0.00 O ATOM 929 CB THR A 61 7.970 -24.101 -3.405 1.00 0.00 C ATOM 930 OG1 THR A 61 7.423 -23.021 -4.169 1.00 0.00 O ATOM 931 CG2 THR A 61 8.652 -23.555 -2.160 1.00 0.00 C ATOM 0 H THR A 61 9.808 -23.040 -4.713 1.00 0.00 H new ATOM 0 HA THR A 61 9.513 -25.594 -3.624 1.00 0.00 H new ATOM 0 HB THR A 61 7.166 -24.769 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.127 -22.367 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.931 -22.991 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.041 -24.382 -1.566 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.473 -22.900 -2.452 1.00 0.00 H new ATOM 939 N GLY A 62 8.743 -26.836 -5.717 1.00 0.00 N ATOM 940 CA GLY A 62 8.087 -27.669 -6.708 1.00 0.00 C ATOM 941 C GLY A 62 8.034 -27.013 -8.074 1.00 0.00 C ATOM 942 O GLY A 62 8.087 -25.788 -8.184 1.00 0.00 O ATOM 0 H GLY A 62 9.636 -27.194 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.614 -28.620 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.073 -27.893 -6.376 1.00 0.00 H new ATOM 946 N ILE A 63 7.932 -27.830 -9.117 1.00 0.00 N ATOM 947 CA ILE A 63 7.872 -27.321 -10.482 1.00 0.00 C ATOM 948 C ILE A 63 6.687 -27.912 -11.238 1.00 0.00 C ATOM 949 O ILE A 63 6.567 -29.130 -11.372 1.00 0.00 O ATOM 950 CB ILE A 63 9.167 -27.632 -11.255 1.00 0.00 C ATOM 951 CG1 ILE A 63 10.373 -27.015 -10.544 1.00 0.00 C ATOM 952 CG2 ILE A 63 9.067 -27.118 -12.684 1.00 0.00 C ATOM 953 CD1 ILE A 63 11.701 -27.420 -11.144 1.00 0.00 C ATOM 0 H ILE A 63 7.889 -28.846 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 63 7.751 -26.240 -10.411 1.00 0.00 H new ATOM 0 HB ILE A 63 9.303 -28.713 -11.287 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.286 -25.929 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.354 -27.307 -9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.990 -27.345 -13.218 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.229 -27.601 -13.186 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.911 -26.039 -12.673 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.511 -26.945 -10.590 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.810 -28.503 -11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.741 -27.104 -12.186 1.00 0.00 H new ATOM 965 N LYS A 64 5.814 -27.042 -11.731 1.00 0.00 N ATOM 966 CA LYS A 64 4.639 -27.475 -12.478 1.00 0.00 C ATOM 967 C LYS A 64 4.843 -27.279 -13.976 1.00 0.00 C ATOM 968 O LYS A 64 4.865 -26.157 -14.483 1.00 0.00 O ATOM 969 CB LYS A 64 3.401 -26.702 -12.015 1.00 0.00 C ATOM 970 CG LYS A 64 2.752 -27.282 -10.771 1.00 0.00 C ATOM 971 CD LYS A 64 3.287 -26.630 -9.507 1.00 0.00 C ATOM 972 CE LYS A 64 4.503 -27.369 -8.970 1.00 0.00 C ATOM 973 NZ LYS A 64 4.615 -27.251 -7.489 1.00 0.00 N ATOM 0 H LYS A 64 5.898 -26.031 -11.627 1.00 0.00 H new ATOM 0 HA LYS A 64 4.489 -28.537 -12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.681 -25.667 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.669 -26.687 -12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.672 -27.143 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.933 -28.356 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.553 -25.594 -9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.506 -26.612 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.440 -28.421 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.405 -26.971 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.649 -28.201 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.483 -26.733 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.790 -26.737 -7.118 1.00 0.00 H new ATOM 987 N PRO A 65 4.994 -28.395 -14.705 1.00 0.00 N ATOM 988 CA PRO A 65 5.196 -28.372 -16.157 1.00 0.00 C ATOM 989 C PRO A 65 3.945 -27.932 -16.909 1.00 0.00 C ATOM 990 O PRO A 65 4.030 -27.238 -17.923 1.00 0.00 O ATOM 991 CB PRO A 65 5.538 -29.826 -16.491 1.00 0.00 C ATOM 992 CG PRO A 65 4.908 -30.623 -15.402 1.00 0.00 C ATOM 993 CD PRO A 65 4.978 -29.766 -14.168 1.00 0.00 C ATOM 0 HA PRO A 65 5.968 -27.661 -16.450 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.146 -30.111 -17.467 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.616 -29.982 -16.523 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.875 -30.871 -15.647 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.435 -31.565 -15.253 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.121 -29.932 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.872 -29.978 -13.582 1.00 0.00 H new ATOM 1001 N TYR A 66 2.785 -28.340 -16.408 1.00 0.00 N ATOM 1002 CA TYR A 66 1.516 -27.989 -17.035 1.00 0.00 C ATOM 1003 C TYR A 66 0.926 -26.731 -16.404 1.00 0.00 C ATOM 1004 O TYR A 66 1.086 -26.491 -15.208 1.00 0.00 O ATOM 1005 CB TYR A 66 0.525 -29.148 -16.911 1.00 0.00 C ATOM 1006 CG TYR A 66 1.162 -30.510 -17.070 1.00 0.00 C ATOM 1007 CD1 TYR A 66 2.133 -30.735 -18.038 1.00 0.00 C ATOM 1008 CD2 TYR A 66 0.794 -31.571 -16.252 1.00 0.00 C ATOM 1009 CE1 TYR A 66 2.718 -31.978 -18.188 1.00 0.00 C ATOM 1010 CE2 TYR A 66 1.374 -32.816 -16.393 1.00 0.00 C ATOM 1011 CZ TYR A 66 2.335 -33.015 -17.363 1.00 0.00 C ATOM 1012 OH TYR A 66 2.916 -34.254 -17.507 1.00 0.00 O ATOM 0 H TYR A 66 2.697 -28.914 -15.570 1.00 0.00 H new ATOM 0 HA TYR A 66 1.703 -27.791 -18.090 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.038 -29.096 -15.937 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.254 -29.031 -17.664 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.436 -29.924 -18.684 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.041 -31.419 -15.493 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.470 -32.136 -18.946 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.077 -33.630 -15.748 1.00 0.00 H new ATOM 0 HH TYR A 66 2.536 -34.872 -16.848 1.00 0.00 H new ATOM 1022 N GLU A 67 0.243 -25.933 -17.219 1.00 0.00 N ATOM 1023 CA GLU A 67 -0.371 -24.700 -16.742 1.00 0.00 C ATOM 1024 C GLU A 67 -1.567 -24.316 -17.609 1.00 0.00 C ATOM 1025 O GLU A 67 -1.510 -24.401 -18.837 1.00 0.00 O ATOM 1026 CB GLU A 67 0.654 -23.564 -16.735 1.00 0.00 C ATOM 1027 CG GLU A 67 0.028 -22.180 -16.676 1.00 0.00 C ATOM 1028 CD GLU A 67 1.012 -21.113 -16.240 1.00 0.00 C ATOM 1029 OE1 GLU A 67 1.791 -20.640 -17.095 1.00 0.00 O ATOM 1030 OE2 GLU A 67 1.005 -20.750 -15.046 1.00 0.00 O ATOM 0 H GLU A 67 0.101 -26.118 -18.212 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.722 -24.869 -15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.318 -23.690 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.271 -23.637 -17.631 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.369 -21.923 -17.658 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.815 -22.196 -15.985 1.00 0.00 H new ATOM 1037 N CYS A 68 -2.648 -23.895 -16.962 1.00 0.00 N ATOM 1038 CA CYS A 68 -3.858 -23.499 -17.672 1.00 0.00 C ATOM 1039 C CYS A 68 -3.585 -22.316 -18.596 1.00 0.00 C ATOM 1040 O CYS A 68 -2.526 -21.693 -18.527 1.00 0.00 O ATOM 1041 CB CYS A 68 -4.963 -23.138 -16.677 1.00 0.00 C ATOM 1042 SG CYS A 68 -6.647 -23.245 -17.365 1.00 0.00 S ATOM 0 H CYS A 68 -2.711 -23.819 -15.947 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.185 -24.343 -18.279 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.892 -23.801 -15.815 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.794 -22.124 -16.315 1.00 0.00 H new ATOM 1047 N ASN A 69 -4.548 -22.012 -19.460 1.00 0.00 N ATOM 1048 CA ASN A 69 -4.411 -20.904 -20.398 1.00 0.00 C ATOM 1049 C ASN A 69 -5.337 -19.752 -20.019 1.00 0.00 C ATOM 1050 O ASN A 69 -5.081 -18.598 -20.362 1.00 0.00 O ATOM 1051 CB ASN A 69 -4.718 -21.372 -21.822 1.00 0.00 C ATOM 1052 CG ASN A 69 -5.885 -22.340 -21.873 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -5.984 -23.255 -21.055 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -6.777 -22.141 -22.837 1.00 0.00 N ATOM 0 H ASN A 69 -5.431 -22.517 -19.530 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.381 -20.549 -20.353 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.940 -20.506 -22.446 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.834 -21.850 -22.243 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.584 -22.759 -22.921 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.655 -21.370 -23.493 1.00 0.00 H new ATOM 1061 N ILE A 70 -6.413 -20.075 -19.309 1.00 0.00 N ATOM 1062 CA ILE A 70 -7.376 -19.068 -18.882 1.00 0.00 C ATOM 1063 C ILE A 70 -6.970 -18.449 -17.549 1.00 0.00 C ATOM 1064 O ILE A 70 -6.640 -17.264 -17.476 1.00 0.00 O ATOM 1065 CB ILE A 70 -8.791 -19.662 -18.749 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -9.260 -20.224 -20.093 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -9.763 -18.607 -18.242 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -8.929 -21.687 -20.284 1.00 0.00 C ATOM 0 H ILE A 70 -6.639 -21.026 -19.018 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.386 -18.296 -19.651 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.760 -20.477 -18.026 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.338 -20.090 -20.177 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.803 -19.648 -20.898 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.758 -19.042 -18.153 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.435 -18.249 -17.266 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.793 -17.773 -18.943 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.291 -22.018 -21.258 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.849 -21.826 -20.232 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.408 -22.274 -19.500 1.00 0.00 H new ATOM 1080 N CYS A 71 -6.993 -19.258 -16.496 1.00 0.00 N ATOM 1081 CA CYS A 71 -6.626 -18.792 -15.164 1.00 0.00 C ATOM 1082 C CYS A 71 -5.112 -18.830 -14.973 1.00 0.00 C ATOM 1083 O CYS A 71 -4.582 -18.256 -14.022 1.00 0.00 O ATOM 1084 CB CYS A 71 -7.307 -19.649 -14.095 1.00 0.00 C ATOM 1085 SG CYS A 71 -6.905 -21.422 -14.195 1.00 0.00 S ATOM 0 H CYS A 71 -7.262 -20.241 -16.539 1.00 0.00 H new ATOM 0 HA CYS A 71 -6.962 -17.760 -15.062 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.021 -19.278 -13.111 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.387 -19.527 -14.181 1.00 0.00 H new ATOM 1090 N ALA A 72 -4.423 -19.511 -15.883 1.00 0.00 N ATOM 1091 CA ALA A 72 -2.971 -19.622 -15.816 1.00 0.00 C ATOM 1092 C ALA A 72 -2.534 -20.346 -14.548 1.00 0.00 C ATOM 1093 O ALA A 72 -1.492 -20.035 -13.970 1.00 0.00 O ATOM 1094 CB ALA A 72 -2.333 -18.243 -15.885 1.00 0.00 C ATOM 0 H ALA A 72 -4.847 -19.994 -16.675 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.636 -20.209 -16.672 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.249 -18.341 -15.834 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.610 -17.760 -16.822 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.683 -17.638 -15.048 1.00 0.00 H new ATOM 1100 N LYS A 73 -3.337 -21.314 -14.118 1.00 0.00 N ATOM 1101 CA LYS A 73 -3.033 -22.084 -12.918 1.00 0.00 C ATOM 1102 C LYS A 73 -1.954 -23.126 -13.198 1.00 0.00 C ATOM 1103 O LYS A 73 -1.664 -23.436 -14.353 1.00 0.00 O ATOM 1104 CB LYS A 73 -4.296 -22.771 -12.394 1.00 0.00 C ATOM 1105 CG LYS A 73 -5.092 -21.920 -11.420 1.00 0.00 C ATOM 1106 CD LYS A 73 -6.184 -22.726 -10.738 1.00 0.00 C ATOM 1107 CE LYS A 73 -5.643 -23.501 -9.546 1.00 0.00 C ATOM 1108 NZ LYS A 73 -6.690 -24.354 -8.917 1.00 0.00 N ATOM 0 H LYS A 73 -4.204 -21.584 -14.583 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.660 -21.395 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.933 -23.034 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.016 -23.703 -11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.422 -21.504 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.537 -21.078 -11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.979 -22.057 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.627 -23.419 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.810 -24.126 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.251 -22.803 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.282 -24.866 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.474 -23.755 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.046 -25.038 -9.615 1.00 0.00 H new ATOM 1122 N ARG A 74 -1.366 -23.663 -12.134 1.00 0.00 N ATOM 1123 CA ARG A 74 -0.320 -24.670 -12.266 1.00 0.00 C ATOM 1124 C ARG A 74 -0.793 -26.018 -11.731 1.00 0.00 C ATOM 1125 O ARG A 74 -1.290 -26.113 -10.609 1.00 0.00 O ATOM 1126 CB ARG A 74 0.941 -24.227 -11.522 1.00 0.00 C ATOM 1127 CG ARG A 74 1.586 -22.980 -12.104 1.00 0.00 C ATOM 1128 CD ARG A 74 2.815 -22.566 -11.309 1.00 0.00 C ATOM 1129 NE ARG A 74 3.795 -21.871 -12.140 1.00 0.00 N ATOM 1130 CZ ARG A 74 4.719 -21.050 -11.654 1.00 0.00 C ATOM 1131 NH1 ARG A 74 4.789 -20.823 -10.350 1.00 0.00 N ATOM 1132 NH2 ARG A 74 5.576 -20.455 -12.474 1.00 0.00 N ATOM 0 H ARG A 74 -1.596 -23.418 -11.171 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.088 -24.780 -13.325 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.690 -24.042 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.666 -25.041 -11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.867 -23.164 -13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.863 -22.164 -12.110 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.513 -21.918 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.276 -23.450 -10.867 1.00 0.00 H new ATOM 0 HE ARG A 74 3.768 -22.025 -13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.132 -21.279 -9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.500 -20.192 -9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.525 -20.628 -13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.285 -19.825 -12.100 1.00 0.00 H new ATOM 1146 N PHE A 75 -0.635 -27.059 -12.542 1.00 0.00 N ATOM 1147 CA PHE A 75 -1.047 -28.402 -12.151 1.00 0.00 C ATOM 1148 C PHE A 75 0.037 -29.423 -12.486 1.00 0.00 C ATOM 1149 O PHE A 75 0.237 -29.772 -13.650 1.00 0.00 O ATOM 1150 CB PHE A 75 -2.354 -28.782 -12.850 1.00 0.00 C ATOM 1151 CG PHE A 75 -3.498 -27.865 -12.520 1.00 0.00 C ATOM 1152 CD1 PHE A 75 -4.211 -28.022 -11.342 1.00 0.00 C ATOM 1153 CD2 PHE A 75 -3.860 -26.847 -13.388 1.00 0.00 C ATOM 1154 CE1 PHE A 75 -5.264 -27.181 -11.037 1.00 0.00 C ATOM 1155 CE2 PHE A 75 -4.912 -26.003 -13.087 1.00 0.00 C ATOM 1156 CZ PHE A 75 -5.614 -26.169 -11.910 1.00 0.00 C ATOM 0 H PHE A 75 -0.225 -26.998 -13.474 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.205 -28.406 -11.073 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.195 -28.778 -13.928 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.623 -29.801 -12.571 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.941 -28.810 -10.655 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.314 -26.712 -14.310 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.813 -27.315 -10.117 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.185 -25.214 -13.772 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.435 -25.509 -11.672 1.00 0.00 H new ATOM 1166 N MET A 76 0.733 -29.897 -11.459 1.00 0.00 N ATOM 1167 CA MET A 76 1.796 -30.878 -11.644 1.00 0.00 C ATOM 1168 C MET A 76 1.247 -32.170 -12.240 1.00 0.00 C ATOM 1169 O MET A 76 1.931 -32.853 -13.001 1.00 0.00 O ATOM 1170 CB MET A 76 2.487 -31.171 -10.310 1.00 0.00 C ATOM 1171 CG MET A 76 1.621 -31.954 -9.337 1.00 0.00 C ATOM 1172 SD MET A 76 1.757 -33.737 -9.566 1.00 0.00 S ATOM 1173 CE MET A 76 3.215 -34.094 -8.589 1.00 0.00 C ATOM 0 H MET A 76 0.580 -29.618 -10.490 1.00 0.00 H new ATOM 0 HA MET A 76 2.525 -30.460 -12.338 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.403 -31.730 -10.500 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.779 -30.229 -9.847 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.907 -31.700 -8.316 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.580 -31.654 -9.460 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.429 -35.162 -8.631 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.064 -33.538 -8.986 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.040 -33.800 -7.554 1.00 0.00 H new ATOM 1183 N TRP A 77 0.009 -32.498 -11.888 1.00 0.00 N ATOM 1184 CA TRP A 77 -0.632 -33.708 -12.389 1.00 0.00 C ATOM 1185 C TRP A 77 -1.221 -33.479 -13.776 1.00 0.00 C ATOM 1186 O TRP A 77 -1.983 -32.535 -13.989 1.00 0.00 O ATOM 1187 CB TRP A 77 -1.729 -34.165 -11.425 1.00 0.00 C ATOM 1188 CG TRP A 77 -1.271 -34.246 -10.000 1.00 0.00 C ATOM 1189 CD1 TRP A 77 -1.161 -33.212 -9.115 1.00 0.00 C ATOM 1190 CD2 TRP A 77 -0.861 -35.424 -9.297 1.00 0.00 C ATOM 1191 NE1 TRP A 77 -0.707 -33.675 -7.904 1.00 0.00 N ATOM 1192 CE2 TRP A 77 -0.516 -35.029 -7.989 1.00 0.00 C ATOM 1193 CE3 TRP A 77 -0.753 -36.773 -9.644 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 -0.070 -35.936 -7.032 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 -0.310 -37.672 -8.692 1.00 0.00 C ATOM 1196 CH2 TRP A 77 0.026 -37.251 -7.399 1.00 0.00 C ATOM 0 H TRP A 77 -0.570 -31.943 -11.258 1.00 0.00 H new ATOM 0 HA TRP A 77 0.127 -34.487 -12.462 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.571 -33.475 -11.490 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.094 -35.143 -11.738 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -1.396 -32.181 -9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.539 -33.104 -7.076 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.011 -37.107 -10.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.191 -35.613 -6.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.221 -38.717 -8.950 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.368 -37.978 -6.677 1.00 0.00 H new ATOM 1207 N ARG A 78 -0.864 -34.347 -14.717 1.00 0.00 N ATOM 1208 CA ARG A 78 -1.357 -34.237 -16.085 1.00 0.00 C ATOM 1209 C ARG A 78 -2.870 -34.433 -16.135 1.00 0.00 C ATOM 1210 O ARG A 78 -3.581 -33.684 -16.804 1.00 0.00 O ATOM 1211 CB ARG A 78 -0.668 -35.267 -16.982 1.00 0.00 C ATOM 1212 CG ARG A 78 -1.330 -35.430 -18.341 1.00 0.00 C ATOM 1213 CD ARG A 78 -0.414 -36.141 -19.324 1.00 0.00 C ATOM 1214 NE ARG A 78 0.445 -35.206 -20.046 1.00 0.00 N ATOM 1215 CZ ARG A 78 0.067 -34.556 -21.142 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -1.149 -34.739 -21.638 1.00 0.00 N ATOM 1217 NH2 ARG A 78 0.905 -33.722 -21.743 1.00 0.00 N ATOM 0 H ARG A 78 -0.235 -35.134 -14.557 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.126 -33.236 -16.449 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.372 -34.973 -17.126 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.659 -36.231 -16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.256 -35.995 -18.231 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.599 -34.450 -18.736 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.204 -36.861 -18.788 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.015 -36.705 -20.037 1.00 0.00 H new ATOM 0 HE ARG A 78 1.387 -35.043 -19.690 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.796 -35.380 -21.178 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.437 -34.239 -22.479 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.841 -33.579 -21.364 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.613 -33.224 -22.584 1.00 0.00 H new ATOM 1231 N ASP A 79 -3.353 -35.446 -15.423 1.00 0.00 N ATOM 1232 CA ASP A 79 -4.781 -35.741 -15.386 1.00 0.00 C ATOM 1233 C ASP A 79 -5.575 -34.527 -14.915 1.00 0.00 C ATOM 1234 O ASP A 79 -6.534 -34.110 -15.564 1.00 0.00 O ATOM 1235 CB ASP A 79 -5.053 -36.932 -14.466 1.00 0.00 C ATOM 1236 CG ASP A 79 -4.485 -38.227 -15.011 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -4.580 -38.446 -16.237 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -3.947 -39.023 -14.213 1.00 0.00 O ATOM 0 H ASP A 79 -2.777 -36.076 -14.864 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.102 -35.992 -16.397 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.622 -36.735 -13.484 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.128 -37.041 -14.326 1.00 0.00 H new ATOM 1243 N SER A 80 -5.168 -33.963 -13.782 1.00 0.00 N ATOM 1244 CA SER A 80 -5.844 -32.799 -13.221 1.00 0.00 C ATOM 1245 C SER A 80 -5.762 -31.611 -14.176 1.00 0.00 C ATOM 1246 O SER A 80 -6.750 -30.913 -14.402 1.00 0.00 O ATOM 1247 CB SER A 80 -5.229 -32.427 -11.871 1.00 0.00 C ATOM 1248 OG SER A 80 -5.486 -33.427 -10.901 1.00 0.00 O ATOM 0 H SER A 80 -4.373 -34.293 -13.235 1.00 0.00 H new ATOM 0 HA SER A 80 -6.894 -33.054 -13.075 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.153 -32.292 -11.983 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.636 -31.474 -11.532 1.00 0.00 H new ATOM 0 HG SER A 80 -5.081 -33.166 -10.047 1.00 0.00 H new ATOM 1254 N PHE A 81 -4.576 -31.389 -14.732 1.00 0.00 N ATOM 1255 CA PHE A 81 -4.363 -30.285 -15.661 1.00 0.00 C ATOM 1256 C PHE A 81 -5.419 -30.290 -16.763 1.00 0.00 C ATOM 1257 O PHE A 81 -6.148 -29.314 -16.943 1.00 0.00 O ATOM 1258 CB PHE A 81 -2.965 -30.373 -16.278 1.00 0.00 C ATOM 1259 CG PHE A 81 -2.790 -29.504 -17.491 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -3.002 -28.137 -17.417 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -2.413 -30.055 -18.705 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -2.841 -27.335 -18.530 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -2.250 -29.258 -19.822 1.00 0.00 C ATOM 1264 CZ PHE A 81 -2.466 -27.896 -19.735 1.00 0.00 C ATOM 0 H PHE A 81 -3.748 -31.958 -14.556 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.449 -29.352 -15.104 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.227 -30.089 -15.528 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.761 -31.409 -16.550 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.297 -27.693 -16.478 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.245 -31.119 -18.779 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.008 -26.270 -18.458 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.954 -29.699 -20.762 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.342 -27.272 -20.607 1.00 0.00 H new ATOM 1274 N HIS A 82 -5.494 -31.395 -17.497 1.00 0.00 N ATOM 1275 CA HIS A 82 -6.461 -31.527 -18.582 1.00 0.00 C ATOM 1276 C HIS A 82 -7.883 -31.602 -18.036 1.00 0.00 C ATOM 1277 O HIS A 82 -8.803 -30.998 -18.588 1.00 0.00 O ATOM 1278 CB HIS A 82 -6.156 -32.773 -19.415 1.00 0.00 C ATOM 1279 CG HIS A 82 -4.965 -32.618 -20.309 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -3.666 -32.718 -19.857 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -4.880 -32.371 -21.637 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -2.835 -32.538 -20.867 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -3.546 -32.326 -21.960 1.00 0.00 N ATOM 0 H HIS A 82 -4.898 -32.211 -17.361 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.381 -30.645 -19.217 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.990 -33.616 -18.745 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.027 -33.016 -20.023 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -3.390 -32.902 -18.892 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.708 -32.235 -22.317 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.757 -32.560 -20.809 1.00 0.00 H new ATOM 1291 N ARG A 83 -8.056 -32.346 -16.948 1.00 0.00 N ATOM 1292 CA ARG A 83 -9.367 -32.501 -16.329 1.00 0.00 C ATOM 1293 C ARG A 83 -9.945 -31.145 -15.933 1.00 0.00 C ATOM 1294 O ARG A 83 -11.161 -30.952 -15.935 1.00 0.00 O ATOM 1295 CB ARG A 83 -9.270 -33.405 -15.099 1.00 0.00 C ATOM 1296 CG ARG A 83 -10.496 -33.347 -14.202 1.00 0.00 C ATOM 1297 CD ARG A 83 -10.197 -33.892 -12.814 1.00 0.00 C ATOM 1298 NE ARG A 83 -10.253 -35.351 -12.775 1.00 0.00 N ATOM 1299 CZ ARG A 83 -11.380 -36.040 -12.635 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -12.539 -35.405 -12.522 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -11.349 -37.366 -12.609 1.00 0.00 N ATOM 0 H ARG A 83 -7.305 -32.851 -16.477 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.033 -32.962 -17.058 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.118 -34.434 -15.426 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.392 -33.122 -14.519 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.842 -32.316 -14.123 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.306 -33.921 -14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.208 -33.559 -12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.913 -33.483 -12.102 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.379 -35.869 -12.860 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.566 -34.386 -12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.403 -35.936 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.459 -37.857 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.215 -37.894 -12.501 1.00 0.00 H new ATOM 1315 N HIS A 84 -9.064 -30.209 -15.593 1.00 0.00 N ATOM 1316 CA HIS A 84 -9.487 -28.871 -15.195 1.00 0.00 C ATOM 1317 C HIS A 84 -9.574 -27.946 -16.405 1.00 0.00 C ATOM 1318 O HIS A 84 -10.610 -27.328 -16.653 1.00 0.00 O ATOM 1319 CB HIS A 84 -8.516 -28.292 -14.165 1.00 0.00 C ATOM 1320 CG HIS A 84 -8.475 -26.795 -14.156 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -8.978 -26.035 -13.122 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -7.985 -25.917 -15.062 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -8.801 -24.754 -13.393 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -8.200 -24.656 -14.565 1.00 0.00 N ATOM 0 H HIS A 84 -8.054 -30.352 -15.585 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.478 -28.948 -14.747 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.798 -28.646 -13.173 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.515 -28.673 -14.367 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -9.418 -26.404 -12.279 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.513 -26.163 -16.002 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.097 -23.928 -12.764 1.00 0.00 H new ATOM 1332 N VAL A 85 -8.481 -27.856 -17.155 1.00 0.00 N ATOM 1333 CA VAL A 85 -8.435 -27.007 -18.340 1.00 0.00 C ATOM 1334 C VAL A 85 -9.633 -27.262 -19.247 1.00 0.00 C ATOM 1335 O VAL A 85 -10.264 -26.327 -19.741 1.00 0.00 O ATOM 1336 CB VAL A 85 -7.140 -27.233 -19.143 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -7.081 -26.295 -20.338 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -5.921 -27.050 -18.250 1.00 0.00 C ATOM 0 H VAL A 85 -7.615 -28.360 -16.964 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.462 -25.975 -17.990 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.139 -28.257 -19.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.159 -26.470 -20.893 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.936 -26.480 -20.988 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.105 -25.262 -19.991 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.015 -27.213 -18.833 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.915 -26.038 -17.846 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.959 -27.768 -17.431 1.00 0.00 H new ATOM 1348 N THR A 86 -9.944 -28.537 -19.462 1.00 0.00 N ATOM 1349 CA THR A 86 -11.067 -28.917 -20.310 1.00 0.00 C ATOM 1350 C THR A 86 -12.331 -28.159 -19.921 1.00 0.00 C ATOM 1351 O THR A 86 -13.215 -27.942 -20.749 1.00 0.00 O ATOM 1352 CB THR A 86 -11.344 -30.430 -20.230 1.00 0.00 C ATOM 1353 OG1 THR A 86 -11.956 -30.881 -21.444 1.00 0.00 O ATOM 1354 CG2 THR A 86 -12.248 -30.753 -19.050 1.00 0.00 C ATOM 0 H THR A 86 -9.434 -29.324 -19.060 1.00 0.00 H new ATOM 0 HA THR A 86 -10.792 -28.659 -21.333 1.00 0.00 H new ATOM 0 HB THR A 86 -10.393 -30.944 -20.090 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.127 -31.844 -21.386 1.00 0.00 H new ATOM 0 HG21 THR A 86 -12.430 -31.827 -19.014 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.767 -30.435 -18.125 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.197 -30.228 -19.164 1.00 0.00 H new ATOM 1362 N SER A 87 -12.409 -27.757 -18.657 1.00 0.00 N ATOM 1363 CA SER A 87 -13.567 -27.025 -18.157 1.00 0.00 C ATOM 1364 C SER A 87 -13.288 -25.526 -18.121 1.00 0.00 C ATOM 1365 O SER A 87 -14.100 -24.720 -18.576 1.00 0.00 O ATOM 1366 CB SER A 87 -13.945 -27.519 -16.760 1.00 0.00 C ATOM 1367 OG SER A 87 -14.829 -28.624 -16.831 1.00 0.00 O ATOM 0 H SER A 87 -11.684 -27.926 -17.960 1.00 0.00 H new ATOM 0 HA SER A 87 -14.401 -27.205 -18.836 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.045 -27.804 -16.216 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.413 -26.710 -16.199 1.00 0.00 H new ATOM 0 HG SER A 87 -15.054 -28.922 -15.925 1.00 0.00 H new ATOM 1373 N CYS A 88 -12.133 -25.159 -17.576 1.00 0.00 N ATOM 1374 CA CYS A 88 -11.744 -23.757 -17.478 1.00 0.00 C ATOM 1375 C CYS A 88 -11.903 -23.054 -18.823 1.00 0.00 C ATOM 1376 O CYS A 88 -12.054 -21.833 -18.885 1.00 0.00 O ATOM 1377 CB CYS A 88 -10.296 -23.640 -16.997 1.00 0.00 C ATOM 1378 SG CYS A 88 -9.912 -22.062 -16.173 1.00 0.00 S ATOM 0 H CYS A 88 -11.450 -25.813 -17.195 1.00 0.00 H new ATOM 0 HA CYS A 88 -12.400 -23.273 -16.755 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.086 -24.458 -16.308 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.630 -23.763 -17.851 1.00 0.00 H new ATOM 1383 N THR A 89 -11.867 -23.832 -19.900 1.00 0.00 N ATOM 1384 CA THR A 89 -12.006 -23.285 -21.244 1.00 0.00 C ATOM 1385 C THR A 89 -13.472 -23.192 -21.650 1.00 0.00 C ATOM 1386 O THR A 89 -13.939 -22.141 -22.092 1.00 0.00 O ATOM 1387 CB THR A 89 -11.252 -24.140 -22.279 1.00 0.00 C ATOM 1388 OG1 THR A 89 -9.916 -24.389 -21.829 1.00 0.00 O ATOM 1389 CG2 THR A 89 -11.215 -23.445 -23.632 1.00 0.00 C ATOM 0 H THR A 89 -11.743 -24.844 -19.868 1.00 0.00 H new ATOM 0 HA THR A 89 -11.573 -22.285 -21.225 1.00 0.00 H new ATOM 0 HB THR A 89 -11.781 -25.087 -22.389 1.00 0.00 H new ATOM 0 HG1 THR A 89 -9.931 -25.059 -21.114 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.677 -24.068 -24.347 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.233 -23.283 -23.986 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.708 -22.485 -23.534 1.00 0.00 H new ATOM 1397 N LYS A 90 -14.195 -24.296 -21.498 1.00 0.00 N ATOM 1398 CA LYS A 90 -15.610 -24.339 -21.848 1.00 0.00 C ATOM 1399 C LYS A 90 -16.281 -22.998 -21.566 1.00 0.00 C ATOM 1400 O LYS A 90 -16.975 -22.449 -22.421 1.00 0.00 O ATOM 1401 CB LYS A 90 -16.317 -25.449 -21.066 1.00 0.00 C ATOM 1402 CG LYS A 90 -16.323 -26.788 -21.782 1.00 0.00 C ATOM 1403 CD LYS A 90 -16.973 -27.870 -20.936 1.00 0.00 C ATOM 1404 CE LYS A 90 -17.311 -29.099 -21.766 1.00 0.00 C ATOM 1405 NZ LYS A 90 -16.094 -29.875 -22.129 1.00 0.00 N ATOM 0 H LYS A 90 -13.824 -25.174 -21.134 1.00 0.00 H new ATOM 0 HA LYS A 90 -15.688 -24.548 -22.915 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -15.830 -25.566 -20.098 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.346 -25.146 -20.871 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.858 -26.694 -22.727 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.300 -27.078 -22.022 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.302 -28.151 -20.125 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.881 -27.478 -20.477 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.995 -29.737 -21.207 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.830 -28.792 -22.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.367 -30.704 -22.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.452 -29.274 -22.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.612 -30.190 -21.263 1.00 0.00 H new ATOM 1419 N SER A 91 -16.068 -22.476 -20.362 1.00 0.00 N ATOM 1420 CA SER A 91 -16.654 -21.201 -19.967 1.00 0.00 C ATOM 1421 C SER A 91 -16.025 -20.049 -20.747 1.00 0.00 C ATOM 1422 O SER A 91 -16.728 -19.212 -21.314 1.00 0.00 O ATOM 1423 CB SER A 91 -16.471 -20.974 -18.465 1.00 0.00 C ATOM 1424 OG SER A 91 -17.337 -21.808 -17.715 1.00 0.00 O ATOM 0 H SER A 91 -15.494 -22.917 -19.643 1.00 0.00 H new ATOM 0 HA SER A 91 -17.719 -21.233 -20.195 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.436 -21.175 -18.187 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.669 -19.929 -18.225 1.00 0.00 H new ATOM 0 HG SER A 91 -17.200 -21.646 -16.758 1.00 0.00 H new ATOM 1430 N TYR A 92 -14.698 -20.015 -20.770 1.00 0.00 N ATOM 1431 CA TYR A 92 -13.973 -18.966 -21.477 1.00 0.00 C ATOM 1432 C TYR A 92 -14.502 -18.802 -22.899 1.00 0.00 C ATOM 1433 O TYR A 92 -14.894 -17.708 -23.304 1.00 0.00 O ATOM 1434 CB TYR A 92 -12.477 -19.284 -21.511 1.00 0.00 C ATOM 1435 CG TYR A 92 -11.709 -18.477 -22.533 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -11.702 -18.843 -23.874 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -10.990 -17.349 -22.158 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -11.001 -18.108 -24.811 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -10.288 -16.608 -23.089 1.00 0.00 C ATOM 1440 CZ TYR A 92 -10.296 -16.991 -24.414 1.00 0.00 C ATOM 1441 OH TYR A 92 -9.596 -16.257 -25.343 1.00 0.00 O ATOM 0 H TYR A 92 -14.102 -20.702 -20.307 1.00 0.00 H new ATOM 0 HA TYR A 92 -14.126 -18.029 -20.941 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.053 -19.102 -20.524 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.344 -20.345 -21.724 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -12.254 -19.716 -24.189 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.980 -17.046 -21.121 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.005 -18.407 -25.849 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.735 -15.733 -22.781 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.156 -15.502 -24.899 1.00 0.00 H new ATOM 1451 N GLU A 93 -14.509 -19.898 -23.651 1.00 0.00 N ATOM 1452 CA GLU A 93 -14.989 -19.876 -25.028 1.00 0.00 C ATOM 1453 C GLU A 93 -16.454 -19.453 -25.086 1.00 0.00 C ATOM 1454 O GLU A 93 -16.855 -18.686 -25.961 1.00 0.00 O ATOM 1455 CB GLU A 93 -14.818 -21.253 -25.673 1.00 0.00 C ATOM 1456 CG GLU A 93 -13.435 -21.483 -26.258 1.00 0.00 C ATOM 1457 CD GLU A 93 -13.078 -20.472 -27.330 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -13.967 -20.122 -28.134 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -11.910 -20.031 -27.364 1.00 0.00 O ATOM 0 H GLU A 93 -14.188 -20.812 -23.330 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.396 -19.148 -25.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.020 -22.022 -24.927 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.561 -21.370 -26.462 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.695 -21.436 -25.459 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.386 -22.487 -26.680 1.00 0.00 H new ATOM 1466 N ALA A 94 -17.248 -19.959 -24.148 1.00 0.00 N ATOM 1467 CA ALA A 94 -18.668 -19.634 -24.091 1.00 0.00 C ATOM 1468 C ALA A 94 -18.888 -18.126 -24.159 1.00 0.00 C ATOM 1469 O ALA A 94 -19.677 -17.641 -24.969 1.00 0.00 O ATOM 1470 CB ALA A 94 -19.290 -20.204 -22.825 1.00 0.00 C ATOM 0 H ALA A 94 -16.932 -20.596 -23.417 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.154 -20.086 -24.956 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -20.350 -19.953 -22.796 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -19.173 -21.288 -22.818 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -18.793 -19.780 -21.953 1.00 0.00 H new ATOM 1476 N ALA A 95 -18.187 -17.392 -23.302 1.00 0.00 N ATOM 1477 CA ALA A 95 -18.306 -15.939 -23.265 1.00 0.00 C ATOM 1478 C ALA A 95 -17.613 -15.302 -24.465 1.00 0.00 C ATOM 1479 O ALA A 95 -18.156 -14.399 -25.102 1.00 0.00 O ATOM 1480 CB ALA A 95 -17.727 -15.395 -21.968 1.00 0.00 C ATOM 0 H ALA A 95 -17.531 -17.779 -22.624 1.00 0.00 H new ATOM 0 HA ALA A 95 -19.365 -15.684 -23.312 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.823 -14.309 -21.954 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -18.269 -15.818 -21.122 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.674 -15.667 -21.897 1.00 0.00 H new ATOM 1486 N LYS A 96 -16.409 -15.776 -24.767 1.00 0.00 N ATOM 1487 CA LYS A 96 -15.641 -15.253 -25.891 1.00 0.00 C ATOM 1488 C LYS A 96 -16.479 -15.242 -27.165 1.00 0.00 C ATOM 1489 O LYS A 96 -16.477 -14.264 -27.912 1.00 0.00 O ATOM 1490 CB LYS A 96 -14.378 -16.090 -26.105 1.00 0.00 C ATOM 1491 CG LYS A 96 -13.442 -15.521 -27.157 1.00 0.00 C ATOM 1492 CD LYS A 96 -12.557 -16.599 -27.759 1.00 0.00 C ATOM 1493 CE LYS A 96 -13.334 -17.488 -28.717 1.00 0.00 C ATOM 1494 NZ LYS A 96 -13.710 -16.765 -29.963 1.00 0.00 N ATOM 0 H LYS A 96 -15.944 -16.522 -24.249 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.355 -14.228 -25.658 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.842 -16.171 -25.160 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.667 -17.100 -26.396 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.026 -15.046 -27.946 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.820 -14.746 -26.710 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.724 -16.134 -28.287 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.130 -17.207 -26.962 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.733 -18.361 -28.971 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.234 -17.854 -28.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.990 -17.452 -30.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.506 -16.125 -29.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.897 -16.212 -30.302 1.00 0.00 H new ATOM 1508 N ALA A 97 -17.195 -16.335 -27.407 1.00 0.00 N ATOM 1509 CA ALA A 97 -18.040 -16.449 -28.589 1.00 0.00 C ATOM 1510 C ALA A 97 -19.032 -15.293 -28.668 1.00 0.00 C ATOM 1511 O ALA A 97 -19.598 -15.022 -29.726 1.00 0.00 O ATOM 1512 CB ALA A 97 -18.778 -17.780 -28.584 1.00 0.00 C ATOM 0 H ALA A 97 -17.207 -17.154 -26.800 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.399 -16.405 -29.469 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -19.405 -17.852 -29.473 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -18.056 -18.596 -28.583 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.402 -17.847 -27.693 1.00 0.00 H new ATOM 1518 N GLU A 98 -19.237 -14.617 -27.542 1.00 0.00 N ATOM 1519 CA GLU A 98 -20.162 -13.491 -27.485 1.00 0.00 C ATOM 1520 C GLU A 98 -19.478 -12.202 -27.931 1.00 0.00 C ATOM 1521 O GLU A 98 -20.046 -11.416 -28.689 1.00 0.00 O ATOM 1522 CB GLU A 98 -20.712 -13.325 -26.067 1.00 0.00 C ATOM 1523 CG GLU A 98 -22.082 -12.669 -26.019 1.00 0.00 C ATOM 1524 CD GLU A 98 -22.471 -12.235 -24.619 1.00 0.00 C ATOM 1525 OE1 GLU A 98 -21.696 -11.481 -23.994 1.00 0.00 O ATOM 1526 OE2 GLU A 98 -23.552 -12.649 -24.150 1.00 0.00 O ATOM 0 H GLU A 98 -18.775 -14.829 -26.658 1.00 0.00 H new ATOM 0 HA GLU A 98 -20.988 -13.698 -28.165 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -20.770 -14.304 -25.592 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -20.012 -12.728 -25.482 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -22.089 -11.802 -26.680 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -22.828 -13.366 -26.400 1.00 0.00 H new ATOM 1533 N GLN A 99 -18.255 -11.993 -27.455 1.00 0.00 N ATOM 1534 CA GLN A 99 -17.494 -10.799 -27.803 1.00 0.00 C ATOM 1535 C GLN A 99 -16.592 -11.059 -29.006 1.00 0.00 C ATOM 1536 O GLN A 99 -15.445 -10.617 -29.041 1.00 0.00 O ATOM 1537 CB GLN A 99 -16.653 -10.338 -26.611 1.00 0.00 C ATOM 1538 CG GLN A 99 -15.680 -11.392 -26.110 1.00 0.00 C ATOM 1539 CD GLN A 99 -14.921 -10.946 -24.876 1.00 0.00 C ATOM 1540 OE1 GLN A 99 -15.268 -9.945 -24.247 1.00 0.00 O ATOM 1541 NE2 GLN A 99 -13.878 -11.687 -24.521 1.00 0.00 N ATOM 0 H GLN A 99 -17.770 -12.635 -26.828 1.00 0.00 H new ATOM 0 HA GLN A 99 -18.202 -10.012 -28.065 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -16.095 -9.445 -26.894 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -17.318 -10.053 -25.796 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -16.227 -12.308 -25.884 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -14.970 -11.631 -26.902 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.625 -12.508 -25.070 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.330 -11.435 -23.699 1.00 0.00 H new ATOM 1550 N ASN A 100 -17.120 -11.781 -29.989 1.00 0.00 N ATOM 1551 CA ASN A 100 -16.362 -12.101 -31.193 1.00 0.00 C ATOM 1552 C ASN A 100 -16.365 -10.926 -32.166 1.00 0.00 C ATOM 1553 O ASN A 100 -17.324 -10.156 -32.226 1.00 0.00 O ATOM 1554 CB ASN A 100 -16.945 -13.342 -31.873 1.00 0.00 C ATOM 1555 CG ASN A 100 -16.324 -13.603 -33.231 1.00 0.00 C ATOM 1556 OD1 ASN A 100 -17.002 -13.549 -34.257 1.00 0.00 O ATOM 1557 ND2 ASN A 100 -15.027 -13.888 -33.244 1.00 0.00 N ATOM 0 H ASN A 100 -18.069 -12.155 -29.976 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.332 -12.305 -30.900 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -16.790 -14.210 -31.233 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -18.022 -13.218 -31.987 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.554 -14.073 -34.129 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -14.504 -13.922 -32.369 1.00 0.00 H new ATOM 1564 N THR A 101 -15.284 -10.794 -32.929 1.00 0.00 N ATOM 1565 CA THR A 101 -15.161 -9.714 -33.899 1.00 0.00 C ATOM 1566 C THR A 101 -14.789 -10.251 -35.277 1.00 0.00 C ATOM 1567 O THR A 101 -14.164 -11.306 -35.396 1.00 0.00 O ATOM 1568 CB THR A 101 -14.104 -8.683 -33.460 1.00 0.00 C ATOM 1569 OG1 THR A 101 -14.378 -8.237 -32.128 1.00 0.00 O ATOM 1570 CG2 THR A 101 -14.085 -7.491 -34.406 1.00 0.00 C ATOM 0 H THR A 101 -14.481 -11.422 -32.893 1.00 0.00 H new ATOM 0 HA THR A 101 -16.134 -9.226 -33.953 1.00 0.00 H new ATOM 0 HB THR A 101 -13.126 -9.164 -33.487 1.00 0.00 H new ATOM 0 HG1 THR A 101 -13.701 -7.583 -31.856 1.00 0.00 H new ATOM 0 HG21 THR A 101 -13.331 -6.776 -34.076 1.00 0.00 H new ATOM 0 HG22 THR A 101 -13.847 -7.830 -35.414 1.00 0.00 H new ATOM 0 HG23 THR A 101 -15.064 -7.011 -34.407 1.00 0.00 H new ATOM 1578 N THR A 102 -15.176 -9.519 -36.317 1.00 0.00 N ATOM 1579 CA THR A 102 -14.883 -9.922 -37.686 1.00 0.00 C ATOM 1580 C THR A 102 -13.389 -9.836 -37.978 1.00 0.00 C ATOM 1581 O THR A 102 -12.810 -8.751 -37.979 1.00 0.00 O ATOM 1582 CB THR A 102 -15.644 -9.051 -38.703 1.00 0.00 C ATOM 1583 OG1 THR A 102 -15.345 -7.667 -38.483 1.00 0.00 O ATOM 1584 CG2 THR A 102 -17.144 -9.275 -38.593 1.00 0.00 C ATOM 0 H THR A 102 -15.693 -8.644 -36.237 1.00 0.00 H new ATOM 0 HA THR A 102 -15.211 -10.957 -37.787 1.00 0.00 H new ATOM 0 HB THR A 102 -15.323 -9.337 -39.705 1.00 0.00 H new ATOM 0 HG1 THR A 102 -14.439 -7.582 -38.118 1.00 0.00 H new ATOM 0 HG21 THR A 102 -17.660 -8.649 -39.321 1.00 0.00 H new ATOM 0 HG22 THR A 102 -17.371 -10.323 -38.790 1.00 0.00 H new ATOM 0 HG23 THR A 102 -17.478 -9.014 -37.589 1.00 0.00 H new ATOM 1592 N GLU A 103 -12.772 -10.988 -38.225 1.00 0.00 N ATOM 1593 CA GLU A 103 -11.344 -11.041 -38.517 1.00 0.00 C ATOM 1594 C GLU A 103 -11.069 -11.934 -39.723 1.00 0.00 C ATOM 1595 O GLU A 103 -11.794 -12.896 -39.975 1.00 0.00 O ATOM 1596 CB GLU A 103 -10.571 -11.555 -37.301 1.00 0.00 C ATOM 1597 CG GLU A 103 -10.849 -13.013 -36.975 1.00 0.00 C ATOM 1598 CD GLU A 103 -12.207 -13.218 -36.332 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -12.331 -12.973 -35.114 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -13.146 -13.623 -37.048 1.00 0.00 O ATOM 0 H GLU A 103 -13.238 -11.895 -38.229 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.009 -10.030 -38.751 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.503 -11.429 -37.480 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.824 -10.943 -36.435 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.791 -13.603 -37.889 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.074 -13.386 -36.305 1.00 0.00 H new ATOM 1607 N ALA A 104 -10.017 -11.607 -40.467 1.00 0.00 N ATOM 1608 CA ALA A 104 -9.645 -12.379 -41.645 1.00 0.00 C ATOM 1609 C ALA A 104 -8.313 -13.092 -41.437 1.00 0.00 C ATOM 1610 O ALA A 104 -7.328 -12.479 -41.024 1.00 0.00 O ATOM 1611 CB ALA A 104 -9.576 -11.476 -42.868 1.00 0.00 C ATOM 0 H ALA A 104 -9.408 -10.812 -40.274 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.411 -13.137 -41.808 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.297 -12.066 -43.741 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.550 -11.017 -43.037 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.831 -10.697 -42.704 1.00 0.00 H new ATOM 1617 N SER A 105 -8.290 -14.389 -41.724 1.00 0.00 N ATOM 1618 CA SER A 105 -7.079 -15.186 -41.563 1.00 0.00 C ATOM 1619 C SER A 105 -6.036 -14.807 -42.610 1.00 0.00 C ATOM 1620 O SER A 105 -6.177 -15.130 -43.789 1.00 0.00 O ATOM 1621 CB SER A 105 -7.407 -16.677 -41.670 1.00 0.00 C ATOM 1622 OG SER A 105 -8.120 -16.958 -42.862 1.00 0.00 O ATOM 0 H SER A 105 -9.096 -14.911 -42.069 1.00 0.00 H new ATOM 0 HA SER A 105 -6.667 -14.981 -40.575 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.485 -17.258 -41.649 1.00 0.00 H new ATOM 0 HB3 SER A 105 -7.998 -16.985 -40.808 1.00 0.00 H new ATOM 0 HG SER A 105 -7.721 -16.461 -43.607 1.00 0.00 H new ATOM 1628 N GLY A 106 -4.987 -14.118 -42.169 1.00 0.00 N ATOM 1629 CA GLY A 106 -3.935 -13.705 -43.079 1.00 0.00 C ATOM 1630 C GLY A 106 -3.572 -14.789 -44.075 1.00 0.00 C ATOM 1631 O GLY A 106 -3.614 -15.981 -43.771 1.00 0.00 O ATOM 0 H GLY A 106 -4.848 -13.839 -41.198 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.254 -12.813 -43.618 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -3.049 -13.431 -42.506 1.00 0.00 H new ATOM 1635 N PRO A 107 -3.207 -14.375 -45.298 1.00 0.00 N ATOM 1636 CA PRO A 107 -2.830 -15.304 -46.367 1.00 0.00 C ATOM 1637 C PRO A 107 -1.496 -15.991 -46.094 1.00 0.00 C ATOM 1638 O PRO A 107 -0.780 -15.629 -45.161 1.00 0.00 O ATOM 1639 CB PRO A 107 -2.724 -14.402 -47.599 1.00 0.00 C ATOM 1640 CG PRO A 107 -2.425 -13.048 -47.054 1.00 0.00 C ATOM 1641 CD PRO A 107 -3.135 -12.970 -45.730 1.00 0.00 C ATOM 0 HA PRO A 107 -3.550 -16.115 -46.476 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.936 -14.741 -48.271 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.652 -14.402 -48.171 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.351 -12.905 -46.930 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.774 -12.269 -47.731 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.586 -12.357 -45.015 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.127 -12.529 -45.831 1.00 0.00 H new ATOM 1649 N SER A 108 -1.168 -16.984 -46.915 1.00 0.00 N ATOM 1650 CA SER A 108 0.079 -17.724 -46.760 1.00 0.00 C ATOM 1651 C SER A 108 0.347 -18.599 -47.980 1.00 0.00 C ATOM 1652 O SER A 108 -0.543 -18.832 -48.798 1.00 0.00 O ATOM 1653 CB SER A 108 0.029 -18.589 -45.499 1.00 0.00 C ATOM 1654 OG SER A 108 1.313 -19.094 -45.176 1.00 0.00 O ATOM 0 H SER A 108 -1.749 -17.294 -47.694 1.00 0.00 H new ATOM 0 HA SER A 108 0.891 -17.003 -46.666 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.354 -18.000 -44.665 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.664 -19.417 -45.649 1.00 0.00 H new ATOM 0 HG SER A 108 1.255 -19.642 -44.366 1.00 0.00 H new ATOM 1660 N SER A 109 1.581 -19.080 -48.096 1.00 0.00 N ATOM 1661 CA SER A 109 1.969 -19.926 -49.218 1.00 0.00 C ATOM 1662 C SER A 109 3.273 -20.659 -48.921 1.00 0.00 C ATOM 1663 O SER A 109 3.954 -20.364 -47.939 1.00 0.00 O ATOM 1664 CB SER A 109 2.121 -19.087 -50.489 1.00 0.00 C ATOM 1665 OG SER A 109 3.211 -18.189 -50.379 1.00 0.00 O ATOM 0 H SER A 109 2.329 -18.898 -47.427 1.00 0.00 H new ATOM 0 HA SER A 109 1.183 -20.666 -49.371 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.271 -19.743 -51.346 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.203 -18.529 -50.672 1.00 0.00 H new ATOM 0 HG SER A 109 3.288 -17.666 -51.204 1.00 0.00 H new ATOM 1671 N GLY A 110 3.615 -21.618 -49.776 1.00 0.00 N ATOM 1672 CA GLY A 110 4.836 -22.379 -49.589 1.00 0.00 C ATOM 1673 C GLY A 110 4.773 -23.747 -50.238 1.00 0.00 C ATOM 1674 O GLY A 110 3.675 -24.228 -50.514 1.00 0.00 O ATOM 0 H GLY A 110 3.068 -21.881 -50.595 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.675 -21.821 -50.005 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.028 -22.495 -48.522 1.00 0.00 H new TER 1678 GLY A 110 HETATM 1679 ZN ZN A 200 8.272 2.681 8.859 1.00 0.00 ZN HETATM 1680 ZN ZN A 300 15.124 -18.206 -5.083 1.00 0.00 ZN HETATM 1681 ZN ZN A 400 -8.128 -22.876 -15.579 1.00 0.00 ZN