USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 887 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 0.401 X(o=-0.34,f=-0.71) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.746 X(o=-0.34,f=-0.71) USER MOD Set 2.1: A 62 SER OG : rot -22:sc= 0.618 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0555 X(o=0.56,f=0.6) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= -0.206 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0.0107 USER MOD Set 4.1: A 19 GLN : amide:sc= -0.21 K(o=0.11,f=-2.4!) USER MOD Set 4.2: A 23 LYS NZ :NH3+ -118:sc= 0.267 (180deg=0) USER MOD Set 4.3: A 33 THR OG1 : rot 171:sc= 0.0512 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.149 (180deg=-0.56) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.433 (180deg=-0.29) USER MOD Single : A 3 LYS NZ :NH3+ 140:sc= 0.72 (180deg=0.0715) USER MOD Single : A 9 SER OG : rot 180:sc= -1.27 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 77:sc= 0.549 USER MOD Single : A 17 SER OG : rot 73:sc= 0.79 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 25 ASN : amide:sc= 0.244 K(o=0.24,f=-3!) USER MOD Single : A 26 TYR OH : rot 90:sc= -0.986 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.07) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0233) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -135:sc= -2.25! (180deg=-2.88!) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -0.82 (180deg=-2.49!) USER MOD Single : A 50 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.29) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -2.48! (180deg=-2.76!) USER MOD Single : A 59 ASN : amide:sc= -4.22! K(o=-4.2!,f=-1.2) USER MOD Single : A 70 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.53) USER MOD Single : A 71 ASN : amide:sc= -0.665 K(o=-0.67,f=-0.034) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 132:sc= 0.311 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.0404 (180deg=-0.283) USER MOD Single : A 85 SER OG : rot 54:sc= 0.134 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 93 GLN : amide:sc= -0.573 K(o=-0.57,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 162:sc= 0.626 (180deg=0.223) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -56:sc= 0.104 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HE2:sc= 0.233 K(o=0.23,f=-0.84) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.32) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.414 15.595 1.841 1.00 44.31 N ATOM 2 CA MET A 1 4.830 15.639 0.422 1.00 72.01 C ATOM 3 C MET A 1 4.339 14.363 -0.272 1.00 24.53 C ATOM 4 O MET A 1 3.458 14.411 -1.137 1.00 15.52 O ATOM 5 CB MET A 1 6.371 15.787 0.310 1.00 1.31 C ATOM 6 CG MET A 1 6.901 15.954 -1.116 1.00 14.23 C ATOM 7 SD MET A 1 8.705 16.039 -1.172 1.00 0.21 S ATOM 8 CE MET A 1 9.067 17.453 -0.131 1.00 64.22 C ATOM 0 H1 MET A 1 5.129 16.070 2.427 1.00 44.31 H new ATOM 0 H2 MET A 1 3.500 16.079 1.950 1.00 44.31 H new ATOM 0 H3 MET A 1 4.320 14.605 2.145 1.00 44.31 H new ATOM 0 HA MET A 1 4.388 16.506 -0.069 1.00 72.01 H new ATOM 0 HB2 MET A 1 6.682 16.648 0.901 1.00 1.31 H new ATOM 0 HB3 MET A 1 6.839 14.909 0.755 1.00 1.31 H new ATOM 0 HG2 MET A 1 6.560 15.119 -1.728 1.00 14.23 H new ATOM 0 HG3 MET A 1 6.483 16.861 -1.553 1.00 14.23 H new ATOM 0 HE1 MET A 1 10.085 17.793 -0.320 1.00 64.22 H new ATOM 0 HE2 MET A 1 8.368 18.259 -0.356 1.00 64.22 H new ATOM 0 HE3 MET A 1 8.968 17.169 0.917 1.00 64.22 H new ATOM 20 N GLY A 2 4.928 13.218 0.129 1.00 5.21 N ATOM 21 CA GLY A 2 4.455 11.904 -0.293 1.00 75.20 C ATOM 22 C GLY A 2 3.457 11.355 0.719 1.00 2.11 C ATOM 23 O GLY A 2 3.638 11.548 1.922 1.00 5.03 O ATOM 0 H GLY A 2 5.737 13.188 0.749 1.00 5.21 H new ATOM 0 HA2 GLY A 2 3.987 11.976 -1.275 1.00 75.20 H new ATOM 0 HA3 GLY A 2 5.298 11.220 -0.391 1.00 75.20 H new ATOM 27 N LYS A 3 2.414 10.677 0.233 1.00 25.54 N ATOM 28 CA LYS A 3 1.318 10.152 1.066 1.00 34.11 C ATOM 29 C LYS A 3 0.967 8.738 0.562 1.00 40.20 C ATOM 30 O LYS A 3 0.707 8.576 -0.628 1.00 21.31 O ATOM 31 CB LYS A 3 0.106 11.127 0.957 1.00 45.45 C ATOM 32 CG LYS A 3 -1.123 10.772 1.816 1.00 5.50 C ATOM 33 CD LYS A 3 -0.848 10.819 3.336 1.00 15.10 C ATOM 34 CE LYS A 3 -2.107 10.538 4.172 1.00 62.23 C ATOM 35 NZ LYS A 3 -1.811 10.485 5.624 1.00 2.11 N ATOM 0 H LYS A 3 2.301 10.473 -0.760 1.00 25.54 H new ATOM 0 HA LYS A 3 1.603 10.082 2.116 1.00 34.11 H new ATOM 0 HB2 LYS A 3 0.442 12.126 1.234 1.00 45.45 H new ATOM 0 HB3 LYS A 3 -0.205 11.173 -0.087 1.00 45.45 H new ATOM 0 HG2 LYS A 3 -1.933 11.462 1.580 1.00 5.50 H new ATOM 0 HG3 LYS A 3 -1.467 9.773 1.548 1.00 5.50 H new ATOM 0 HD2 LYS A 3 -0.080 10.087 3.586 1.00 15.10 H new ATOM 0 HD3 LYS A 3 -0.452 11.800 3.600 1.00 15.10 H new ATOM 0 HE2 LYS A 3 -2.849 11.314 3.982 1.00 62.23 H new ATOM 0 HE3 LYS A 3 -2.547 9.592 3.857 1.00 62.23 H new ATOM 0 HZ1 LYS A 3 -2.575 10.954 6.151 1.00 2.11 H new ATOM 0 HZ2 LYS A 3 -1.740 9.493 5.928 1.00 2.11 H new ATOM 0 HZ3 LYS A 3 -0.911 10.970 5.813 1.00 2.11 H new ATOM 49 N VAL A 4 0.987 7.708 1.435 1.00 64.25 N ATOM 50 CA VAL A 4 0.789 6.304 0.993 1.00 5.15 C ATOM 51 C VAL A 4 0.012 5.466 2.023 1.00 41.22 C ATOM 52 O VAL A 4 0.112 5.689 3.231 1.00 51.11 O ATOM 53 CB VAL A 4 2.159 5.613 0.643 1.00 63.14 C ATOM 54 CG1 VAL A 4 3.070 5.446 1.869 1.00 3.51 C ATOM 55 CG2 VAL A 4 1.956 4.266 -0.082 1.00 31.55 C ATOM 0 H VAL A 4 1.136 7.816 2.438 1.00 64.25 H new ATOM 0 HA VAL A 4 0.183 6.351 0.088 1.00 5.15 H new ATOM 0 HB VAL A 4 2.669 6.289 -0.043 1.00 63.14 H new ATOM 0 HG11 VAL A 4 4.000 4.964 1.568 1.00 3.51 H new ATOM 0 HG12 VAL A 4 3.290 6.425 2.295 1.00 3.51 H new ATOM 0 HG13 VAL A 4 2.567 4.830 2.615 1.00 3.51 H new ATOM 0 HG21 VAL A 4 2.927 3.823 -0.305 1.00 31.55 H new ATOM 0 HG22 VAL A 4 1.387 3.591 0.557 1.00 31.55 H new ATOM 0 HG23 VAL A 4 1.411 4.431 -1.011 1.00 31.55 H new ATOM 65 N LEU A 5 -0.794 4.521 1.508 1.00 24.41 N ATOM 66 CA LEU A 5 -1.507 3.524 2.311 1.00 2.12 C ATOM 67 C LEU A 5 -0.848 2.151 2.098 1.00 23.14 C ATOM 68 O LEU A 5 -1.027 1.523 1.048 1.00 12.15 O ATOM 69 CB LEU A 5 -3.002 3.475 1.901 1.00 32.01 C ATOM 70 CG LEU A 5 -3.905 2.479 2.703 1.00 52.05 C ATOM 71 CD1 LEU A 5 -3.985 2.862 4.192 1.00 45.54 C ATOM 72 CD2 LEU A 5 -5.310 2.378 2.075 1.00 22.24 C ATOM 0 H LEU A 5 -0.968 4.431 0.507 1.00 24.41 H new ATOM 0 HA LEU A 5 -1.453 3.795 3.365 1.00 2.12 H new ATOM 0 HB2 LEU A 5 -3.419 4.477 2.006 1.00 32.01 H new ATOM 0 HB3 LEU A 5 -3.059 3.215 0.844 1.00 32.01 H new ATOM 0 HG LEU A 5 -3.441 1.494 2.646 1.00 52.05 H new ATOM 0 HD11 LEU A 5 -4.620 2.149 4.718 1.00 45.54 H new ATOM 0 HD12 LEU A 5 -2.985 2.846 4.626 1.00 45.54 H new ATOM 0 HD13 LEU A 5 -4.406 3.863 4.288 1.00 45.54 H new ATOM 0 HD21 LEU A 5 -5.917 1.680 2.651 1.00 22.24 H new ATOM 0 HD22 LEU A 5 -5.783 3.360 2.081 1.00 22.24 H new ATOM 0 HD23 LEU A 5 -5.225 2.023 1.048 1.00 22.24 H new ATOM 84 N LEU A 6 -0.043 1.726 3.078 1.00 75.11 N ATOM 85 CA LEU A 6 0.538 0.381 3.108 1.00 51.52 C ATOM 86 C LEU A 6 -0.544 -0.629 3.544 1.00 45.34 C ATOM 87 O LEU A 6 -0.792 -0.812 4.741 1.00 3.24 O ATOM 88 CB LEU A 6 1.754 0.343 4.078 1.00 2.13 C ATOM 89 CG LEU A 6 2.531 -1.015 4.170 1.00 62.43 C ATOM 90 CD1 LEU A 6 3.173 -1.381 2.820 1.00 63.35 C ATOM 91 CD2 LEU A 6 3.584 -0.983 5.299 1.00 13.12 C ATOM 0 H LEU A 6 0.224 2.306 3.873 1.00 75.11 H new ATOM 0 HA LEU A 6 0.893 0.113 2.113 1.00 51.52 H new ATOM 0 HB2 LEU A 6 2.457 1.119 3.775 1.00 2.13 H new ATOM 0 HB3 LEU A 6 1.403 0.604 5.076 1.00 2.13 H new ATOM 0 HG LEU A 6 1.808 -1.793 4.415 1.00 62.43 H new ATOM 0 HD11 LEU A 6 3.705 -2.328 2.915 1.00 63.35 H new ATOM 0 HD12 LEU A 6 2.396 -1.476 2.061 1.00 63.35 H new ATOM 0 HD13 LEU A 6 3.873 -0.599 2.526 1.00 63.35 H new ATOM 0 HD21 LEU A 6 4.106 -1.939 5.337 1.00 13.12 H new ATOM 0 HD22 LEU A 6 4.301 -0.186 5.105 1.00 13.12 H new ATOM 0 HD23 LEU A 6 3.089 -0.802 6.253 1.00 13.12 H new ATOM 103 N VAL A 7 -1.222 -1.227 2.555 1.00 22.33 N ATOM 104 CA VAL A 7 -2.201 -2.301 2.783 1.00 64.31 C ATOM 105 C VAL A 7 -1.456 -3.631 2.965 1.00 24.31 C ATOM 106 O VAL A 7 -0.661 -4.026 2.108 1.00 61.12 O ATOM 107 CB VAL A 7 -3.224 -2.427 1.595 1.00 63.11 C ATOM 108 CG1 VAL A 7 -4.208 -3.604 1.813 1.00 0.20 C ATOM 109 CG2 VAL A 7 -3.993 -1.105 1.389 1.00 61.44 C ATOM 0 H VAL A 7 -1.107 -0.980 1.572 1.00 22.33 H new ATOM 0 HA VAL A 7 -2.768 -2.056 3.681 1.00 64.31 H new ATOM 0 HB VAL A 7 -2.652 -2.637 0.691 1.00 63.11 H new ATOM 0 HG11 VAL A 7 -4.900 -3.660 0.973 1.00 0.20 H new ATOM 0 HG12 VAL A 7 -3.649 -4.537 1.886 1.00 0.20 H new ATOM 0 HG13 VAL A 7 -4.768 -3.444 2.734 1.00 0.20 H new ATOM 0 HG21 VAL A 7 -4.694 -1.217 0.562 1.00 61.44 H new ATOM 0 HG22 VAL A 7 -4.541 -0.857 2.298 1.00 61.44 H new ATOM 0 HG23 VAL A 7 -3.288 -0.306 1.161 1.00 61.44 H new ATOM 119 N ILE A 8 -1.732 -4.309 4.083 1.00 74.45 N ATOM 120 CA ILE A 8 -1.082 -5.568 4.459 1.00 24.32 C ATOM 121 C ILE A 8 -2.150 -6.638 4.706 1.00 4.10 C ATOM 122 O ILE A 8 -3.064 -6.453 5.526 1.00 53.20 O ATOM 123 CB ILE A 8 -0.168 -5.408 5.735 1.00 52.21 C ATOM 124 CG1 ILE A 8 0.902 -4.295 5.491 1.00 53.41 C ATOM 125 CG2 ILE A 8 0.493 -6.759 6.129 1.00 45.43 C ATOM 126 CD1 ILE A 8 1.961 -4.175 6.562 1.00 62.44 C ATOM 0 H ILE A 8 -2.424 -3.994 4.763 1.00 74.45 H new ATOM 0 HA ILE A 8 -0.434 -5.870 3.636 1.00 24.32 H new ATOM 0 HB ILE A 8 -0.794 -5.103 6.574 1.00 52.21 H new ATOM 0 HG12 ILE A 8 1.393 -4.488 4.537 1.00 53.41 H new ATOM 0 HG13 ILE A 8 0.391 -3.336 5.398 1.00 53.41 H new ATOM 0 HG21 ILE A 8 1.116 -6.615 7.012 1.00 45.43 H new ATOM 0 HG22 ILE A 8 -0.282 -7.493 6.348 1.00 45.43 H new ATOM 0 HG23 ILE A 8 1.109 -7.117 5.304 1.00 45.43 H new ATOM 0 HD11 ILE A 8 2.655 -3.376 6.300 1.00 62.44 H new ATOM 0 HD12 ILE A 8 1.488 -3.946 7.517 1.00 62.44 H new ATOM 0 HD13 ILE A 8 2.505 -5.116 6.643 1.00 62.44 H new ATOM 138 N SER A 9 -2.013 -7.744 3.977 1.00 1.32 N ATOM 139 CA SER A 9 -2.886 -8.910 4.073 1.00 4.12 C ATOM 140 C SER A 9 -2.090 -10.143 3.636 1.00 22.50 C ATOM 141 O SER A 9 -1.237 -10.055 2.741 1.00 3.23 O ATOM 142 CB SER A 9 -4.137 -8.710 3.182 1.00 63.21 C ATOM 143 OG SER A 9 -4.925 -9.886 3.073 1.00 71.31 O ATOM 0 H SER A 9 -1.272 -7.856 3.285 1.00 1.32 H new ATOM 0 HA SER A 9 -3.229 -9.046 5.099 1.00 4.12 H new ATOM 0 HB2 SER A 9 -4.747 -7.906 3.594 1.00 63.21 H new ATOM 0 HB3 SER A 9 -3.823 -8.394 2.187 1.00 63.21 H new ATOM 0 HG SER A 9 -5.702 -9.708 2.503 1.00 71.31 H new ATOM 149 N THR A 10 -2.345 -11.277 4.291 1.00 62.32 N ATOM 150 CA THR A 10 -1.698 -12.557 3.946 1.00 31.11 C ATOM 151 C THR A 10 -2.514 -13.281 2.846 1.00 20.23 C ATOM 152 O THR A 10 -2.038 -14.247 2.231 1.00 31.41 O ATOM 153 CB THR A 10 -1.564 -13.450 5.227 1.00 55.33 C ATOM 154 OG1 THR A 10 -1.156 -12.631 6.336 1.00 32.44 O ATOM 155 CG2 THR A 10 -0.537 -14.591 5.063 1.00 23.21 C ATOM 0 H THR A 10 -3.000 -11.341 5.071 1.00 62.32 H new ATOM 0 HA THR A 10 -0.698 -12.364 3.558 1.00 31.11 H new ATOM 0 HB THR A 10 -2.540 -13.903 5.399 1.00 55.33 H new ATOM 0 HG1 THR A 10 -1.073 -13.186 7.139 1.00 32.44 H new ATOM 0 HG21 THR A 10 -0.490 -15.173 5.983 1.00 23.21 H new ATOM 0 HG22 THR A 10 -0.840 -15.238 4.240 1.00 23.21 H new ATOM 0 HG23 THR A 10 0.445 -14.169 4.850 1.00 23.21 H new ATOM 163 N ASP A 11 -3.743 -12.794 2.612 1.00 42.31 N ATOM 164 CA ASP A 11 -4.675 -13.351 1.616 1.00 13.01 C ATOM 165 C ASP A 11 -4.527 -12.612 0.282 1.00 43.21 C ATOM 166 O ASP A 11 -5.154 -11.571 0.062 1.00 12.53 O ATOM 167 CB ASP A 11 -6.131 -13.247 2.148 1.00 63.23 C ATOM 168 CG ASP A 11 -6.405 -14.162 3.355 1.00 2.12 C ATOM 169 OD1 ASP A 11 -5.848 -13.912 4.443 1.00 1.23 O ATOM 170 OD2 ASP A 11 -7.160 -15.149 3.216 1.00 3.35 O ATOM 0 H ASP A 11 -4.123 -11.992 3.115 1.00 42.31 H new ATOM 0 HA ASP A 11 -4.439 -14.402 1.449 1.00 13.01 H new ATOM 0 HB2 ASP A 11 -6.334 -12.214 2.430 1.00 63.23 H new ATOM 0 HB3 ASP A 11 -6.823 -13.500 1.345 1.00 63.23 H new ATOM 175 N THR A 12 -3.678 -13.172 -0.592 1.00 33.22 N ATOM 176 CA THR A 12 -3.350 -12.617 -1.920 1.00 13.51 C ATOM 177 C THR A 12 -4.597 -12.482 -2.826 1.00 42.53 C ATOM 178 O THR A 12 -4.698 -11.527 -3.605 1.00 51.54 O ATOM 179 CB THR A 12 -2.274 -13.520 -2.614 1.00 2.23 C ATOM 180 OG1 THR A 12 -2.733 -14.885 -2.632 1.00 11.32 O ATOM 181 CG2 THR A 12 -0.914 -13.442 -1.896 1.00 61.01 C ATOM 0 H THR A 12 -3.187 -14.044 -0.394 1.00 33.22 H new ATOM 0 HA THR A 12 -2.954 -11.613 -1.770 1.00 13.51 H new ATOM 0 HB THR A 12 -2.135 -13.156 -3.632 1.00 2.23 H new ATOM 0 HG1 THR A 12 -2.061 -15.450 -3.068 1.00 11.32 H new ATOM 0 HG21 THR A 12 -0.195 -14.082 -2.408 1.00 61.01 H new ATOM 0 HG22 THR A 12 -0.555 -12.413 -1.907 1.00 61.01 H new ATOM 0 HG23 THR A 12 -1.027 -13.776 -0.865 1.00 61.01 H new ATOM 189 N ASN A 13 -5.540 -13.444 -2.693 1.00 63.23 N ATOM 190 CA ASN A 13 -6.805 -13.459 -3.466 1.00 14.45 C ATOM 191 C ASN A 13 -7.673 -12.230 -3.125 1.00 33.21 C ATOM 192 O ASN A 13 -8.227 -11.597 -4.026 1.00 23.12 O ATOM 193 CB ASN A 13 -7.603 -14.773 -3.218 1.00 3.01 C ATOM 194 CG ASN A 13 -6.911 -16.024 -3.791 1.00 30.51 C ATOM 195 OD1 ASN A 13 -6.093 -16.648 -3.128 1.00 31.01 O ATOM 196 ND2 ASN A 13 -7.226 -16.394 -5.030 1.00 74.21 N ATOM 0 H ASN A 13 -5.446 -14.229 -2.049 1.00 63.23 H new ATOM 0 HA ASN A 13 -6.545 -13.416 -4.524 1.00 14.45 H new ATOM 0 HB2 ASN A 13 -7.747 -14.905 -2.146 1.00 3.01 H new ATOM 0 HB3 ASN A 13 -8.593 -14.678 -3.664 1.00 3.01 H new ATOM 0 HD21 ASN A 13 -6.783 -17.213 -5.446 1.00 74.21 H new ATOM 0 HD22 ASN A 13 -7.911 -15.858 -5.564 1.00 74.21 H new ATOM 203 N ILE A 14 -7.747 -11.898 -1.819 1.00 43.03 N ATOM 204 CA ILE A 14 -8.523 -10.745 -1.318 1.00 61.22 C ATOM 205 C ILE A 14 -7.901 -9.427 -1.801 1.00 64.33 C ATOM 206 O ILE A 14 -8.610 -8.530 -2.255 1.00 43.32 O ATOM 207 CB ILE A 14 -8.605 -10.758 0.256 1.00 45.21 C ATOM 208 CG1 ILE A 14 -9.289 -12.071 0.761 1.00 73.34 C ATOM 209 CG2 ILE A 14 -9.325 -9.500 0.809 1.00 53.34 C ATOM 210 CD1 ILE A 14 -10.697 -12.311 0.242 1.00 65.03 C ATOM 0 H ILE A 14 -7.271 -12.421 -1.084 1.00 43.03 H new ATOM 0 HA ILE A 14 -9.535 -10.825 -1.715 1.00 61.22 H new ATOM 0 HB ILE A 14 -7.585 -10.734 0.639 1.00 45.21 H new ATOM 0 HG12 ILE A 14 -8.665 -12.919 0.477 1.00 73.34 H new ATOM 0 HG13 ILE A 14 -9.320 -12.049 1.850 1.00 73.34 H new ATOM 0 HG21 ILE A 14 -9.360 -9.549 1.897 1.00 53.34 H new ATOM 0 HG22 ILE A 14 -8.781 -8.606 0.503 1.00 53.34 H new ATOM 0 HG23 ILE A 14 -10.341 -9.459 0.415 1.00 53.34 H new ATOM 0 HD11 ILE A 14 -11.081 -13.246 0.651 1.00 65.03 H new ATOM 0 HD12 ILE A 14 -11.343 -11.488 0.549 1.00 65.03 H new ATOM 0 HD13 ILE A 14 -10.678 -12.371 -0.846 1.00 65.03 H new ATOM 222 N ILE A 15 -6.563 -9.360 -1.711 1.00 14.03 N ATOM 223 CA ILE A 15 -5.761 -8.210 -2.154 1.00 15.25 C ATOM 224 C ILE A 15 -6.055 -7.866 -3.625 1.00 62.34 C ATOM 225 O ILE A 15 -6.303 -6.703 -3.951 1.00 31.32 O ATOM 226 CB ILE A 15 -4.236 -8.528 -1.958 1.00 32.14 C ATOM 227 CG1 ILE A 15 -3.902 -8.661 -0.445 1.00 55.44 C ATOM 228 CG2 ILE A 15 -3.340 -7.473 -2.625 1.00 75.11 C ATOM 229 CD1 ILE A 15 -2.498 -9.144 -0.149 1.00 34.23 C ATOM 0 H ILE A 15 -6.000 -10.116 -1.322 1.00 14.03 H new ATOM 0 HA ILE A 15 -6.029 -7.343 -1.550 1.00 15.25 H new ATOM 0 HB ILE A 15 -4.031 -9.480 -2.448 1.00 32.14 H new ATOM 0 HG12 ILE A 15 -4.047 -7.692 0.032 1.00 55.44 H new ATOM 0 HG13 ILE A 15 -4.613 -9.350 0.011 1.00 55.44 H new ATOM 0 HG21 ILE A 15 -2.293 -7.731 -2.465 1.00 75.11 H new ATOM 0 HG22 ILE A 15 -3.547 -7.443 -3.695 1.00 75.11 H new ATOM 0 HG23 ILE A 15 -3.543 -6.495 -2.189 1.00 75.11 H new ATOM 0 HD11 ILE A 15 -2.355 -9.206 0.930 1.00 34.23 H new ATOM 0 HD12 ILE A 15 -2.351 -10.129 -0.592 1.00 34.23 H new ATOM 0 HD13 ILE A 15 -1.776 -8.445 -0.571 1.00 34.23 H new ATOM 241 N SER A 16 -6.051 -8.910 -4.478 1.00 61.32 N ATOM 242 CA SER A 16 -6.328 -8.791 -5.912 1.00 4.22 C ATOM 243 C SER A 16 -7.758 -8.289 -6.152 1.00 71.11 C ATOM 244 O SER A 16 -7.947 -7.333 -6.900 1.00 53.51 O ATOM 245 CB SER A 16 -6.104 -10.156 -6.592 1.00 41.05 C ATOM 246 OG SER A 16 -4.771 -10.588 -6.418 1.00 73.42 O ATOM 0 H SER A 16 -5.853 -9.866 -4.182 1.00 61.32 H new ATOM 0 HA SER A 16 -5.646 -8.061 -6.347 1.00 4.22 H new ATOM 0 HB2 SER A 16 -6.788 -10.893 -6.172 1.00 41.05 H new ATOM 0 HB3 SER A 16 -6.331 -10.080 -7.655 1.00 41.05 H new ATOM 0 HG SER A 16 -4.655 -10.933 -5.508 1.00 73.42 H new ATOM 252 N SER A 17 -8.735 -8.906 -5.444 1.00 1.43 N ATOM 253 CA SER A 17 -10.170 -8.574 -5.573 1.00 62.15 C ATOM 254 C SER A 17 -10.432 -7.083 -5.310 1.00 44.12 C ATOM 255 O SER A 17 -11.036 -6.401 -6.138 1.00 23.03 O ATOM 256 CB SER A 17 -11.009 -9.447 -4.612 1.00 54.32 C ATOM 257 OG SER A 17 -10.864 -10.815 -4.907 1.00 2.24 O ATOM 0 H SER A 17 -8.548 -9.647 -4.769 1.00 1.43 H new ATOM 0 HA SER A 17 -10.470 -8.785 -6.599 1.00 62.15 H new ATOM 0 HB2 SER A 17 -10.700 -9.260 -3.584 1.00 54.32 H new ATOM 0 HB3 SER A 17 -12.060 -9.166 -4.685 1.00 54.32 H new ATOM 0 HG SER A 17 -9.977 -11.119 -4.623 1.00 2.24 H new ATOM 263 N VAL A 18 -9.904 -6.601 -4.177 1.00 60.11 N ATOM 264 CA VAL A 18 -10.032 -5.204 -3.738 1.00 74.34 C ATOM 265 C VAL A 18 -9.334 -4.247 -4.711 1.00 1.01 C ATOM 266 O VAL A 18 -9.891 -3.212 -5.068 1.00 4.22 O ATOM 267 CB VAL A 18 -9.423 -5.023 -2.300 1.00 34.22 C ATOM 268 CG1 VAL A 18 -9.387 -3.536 -1.873 1.00 45.12 C ATOM 269 CG2 VAL A 18 -10.195 -5.879 -1.269 1.00 64.03 C ATOM 0 H VAL A 18 -9.368 -7.179 -3.530 1.00 60.11 H new ATOM 0 HA VAL A 18 -11.095 -4.963 -3.717 1.00 74.34 H new ATOM 0 HB VAL A 18 -8.391 -5.372 -2.333 1.00 34.22 H new ATOM 0 HG11 VAL A 18 -8.959 -3.455 -0.874 1.00 45.12 H new ATOM 0 HG12 VAL A 18 -8.776 -2.970 -2.576 1.00 45.12 H new ATOM 0 HG13 VAL A 18 -10.400 -3.134 -1.868 1.00 45.12 H new ATOM 0 HG21 VAL A 18 -9.758 -5.740 -0.280 1.00 64.03 H new ATOM 0 HG22 VAL A 18 -11.240 -5.571 -1.250 1.00 64.03 H new ATOM 0 HG23 VAL A 18 -10.132 -6.931 -1.549 1.00 64.03 H new ATOM 279 N GLN A 19 -8.118 -4.619 -5.129 1.00 15.03 N ATOM 280 CA GLN A 19 -7.251 -3.757 -5.940 1.00 72.31 C ATOM 281 C GLN A 19 -7.832 -3.549 -7.352 1.00 73.44 C ATOM 282 O GLN A 19 -7.671 -2.475 -7.931 1.00 15.24 O ATOM 283 CB GLN A 19 -5.832 -4.354 -5.995 1.00 74.14 C ATOM 284 CG GLN A 19 -4.802 -3.467 -6.706 1.00 12.02 C ATOM 285 CD GLN A 19 -3.400 -4.058 -6.753 1.00 64.23 C ATOM 286 OE1 GLN A 19 -2.671 -3.837 -7.712 1.00 11.01 O ATOM 287 NE2 GLN A 19 -2.989 -4.778 -5.714 1.00 43.11 N ATOM 0 H GLN A 19 -7.707 -5.528 -4.914 1.00 15.03 H new ATOM 0 HA GLN A 19 -7.196 -2.774 -5.473 1.00 72.31 H new ATOM 0 HB2 GLN A 19 -5.490 -4.544 -4.977 1.00 74.14 H new ATOM 0 HB3 GLN A 19 -5.875 -5.318 -6.501 1.00 74.14 H new ATOM 0 HG2 GLN A 19 -5.141 -3.281 -7.725 1.00 12.02 H new ATOM 0 HG3 GLN A 19 -4.761 -2.501 -6.202 1.00 12.02 H new ATOM 0 HE21 GLN A 19 -3.618 -4.946 -4.929 1.00 43.11 H new ATOM 0 HE22 GLN A 19 -2.044 -5.163 -5.702 1.00 43.11 H new ATOM 296 N GLU A 20 -8.528 -4.580 -7.878 1.00 63.54 N ATOM 297 CA GLU A 20 -9.274 -4.486 -9.150 1.00 15.23 C ATOM 298 C GLU A 20 -10.398 -3.456 -9.015 1.00 34.40 C ATOM 299 O GLU A 20 -10.548 -2.583 -9.866 1.00 50.42 O ATOM 300 CB GLU A 20 -9.861 -5.869 -9.537 1.00 32.05 C ATOM 301 CG GLU A 20 -8.802 -6.929 -9.882 1.00 22.10 C ATOM 302 CD GLU A 20 -9.405 -8.329 -10.061 1.00 51.15 C ATOM 303 OE1 GLU A 20 -9.650 -9.009 -9.043 1.00 31.31 O ATOM 304 OE2 GLU A 20 -9.630 -8.760 -11.209 1.00 53.25 O ATOM 0 H GLU A 20 -8.588 -5.497 -7.435 1.00 63.54 H new ATOM 0 HA GLU A 20 -8.590 -4.169 -9.937 1.00 15.23 H new ATOM 0 HB2 GLU A 20 -10.471 -6.236 -8.712 1.00 32.05 H new ATOM 0 HB3 GLU A 20 -10.525 -5.743 -10.392 1.00 32.05 H new ATOM 0 HG2 GLU A 20 -8.288 -6.639 -10.798 1.00 22.10 H new ATOM 0 HG3 GLU A 20 -8.052 -6.959 -9.092 1.00 22.10 H new ATOM 311 N ARG A 21 -11.142 -3.555 -7.893 1.00 71.14 N ATOM 312 CA ARG A 21 -12.271 -2.657 -7.583 1.00 70.31 C ATOM 313 C ARG A 21 -11.785 -1.218 -7.353 1.00 5.42 C ATOM 314 O ARG A 21 -12.478 -0.271 -7.705 1.00 1.10 O ATOM 315 CB ARG A 21 -13.033 -3.165 -6.323 1.00 71.34 C ATOM 316 CG ARG A 21 -13.618 -4.589 -6.455 1.00 73.31 C ATOM 317 CD ARG A 21 -14.670 -4.718 -7.568 1.00 55.51 C ATOM 318 NE ARG A 21 -15.244 -6.075 -7.658 1.00 20.10 N ATOM 319 CZ ARG A 21 -15.623 -6.692 -8.792 1.00 22.44 C ATOM 320 NH1 ARG A 21 -15.498 -6.087 -9.974 1.00 51.43 N ATOM 321 NH2 ARG A 21 -16.149 -7.901 -8.736 1.00 74.24 N ATOM 0 H ARG A 21 -10.975 -4.262 -7.177 1.00 71.14 H new ATOM 0 HA ARG A 21 -12.947 -2.659 -8.438 1.00 70.31 H new ATOM 0 HB2 ARG A 21 -12.354 -3.143 -5.471 1.00 71.34 H new ATOM 0 HB3 ARG A 21 -13.845 -2.472 -6.102 1.00 71.34 H new ATOM 0 HG2 ARG A 21 -12.806 -5.290 -6.650 1.00 73.31 H new ATOM 0 HG3 ARG A 21 -14.068 -4.878 -5.505 1.00 73.31 H new ATOM 0 HD2 ARG A 21 -15.471 -4.001 -7.389 1.00 55.51 H new ATOM 0 HD3 ARG A 21 -14.215 -4.457 -8.524 1.00 55.51 H new ATOM 0 HE ARG A 21 -15.364 -6.589 -6.785 1.00 20.10 H new ATOM 0 HH11 ARG A 21 -15.111 -5.145 -10.026 1.00 51.43 H new ATOM 0 HH12 ARG A 21 -15.789 -6.567 -10.826 1.00 51.43 H new ATOM 0 HH21 ARG A 21 -16.267 -8.365 -7.835 1.00 74.24 H new ATOM 0 HH22 ARG A 21 -16.438 -8.372 -9.594 1.00 74.24 H new ATOM 335 N ALA A 22 -10.571 -1.087 -6.786 1.00 2.43 N ATOM 336 CA ALA A 22 -9.984 0.201 -6.407 1.00 71.15 C ATOM 337 C ALA A 22 -9.463 0.957 -7.646 1.00 1.34 C ATOM 338 O ALA A 22 -9.711 2.152 -7.796 1.00 74.13 O ATOM 339 CB ALA A 22 -8.866 -0.028 -5.375 1.00 25.42 C ATOM 0 H ALA A 22 -9.969 -1.883 -6.578 1.00 2.43 H new ATOM 0 HA ALA A 22 -10.754 0.825 -5.953 1.00 71.15 H new ATOM 0 HB1 ALA A 22 -8.429 0.930 -5.093 1.00 25.42 H new ATOM 0 HB2 ALA A 22 -9.281 -0.512 -4.491 1.00 25.42 H new ATOM 0 HB3 ALA A 22 -8.095 -0.664 -5.809 1.00 25.42 H new ATOM 345 N LYS A 23 -8.756 0.234 -8.541 1.00 44.03 N ATOM 346 CA LYS A 23 -8.214 0.806 -9.795 1.00 42.21 C ATOM 347 C LYS A 23 -9.335 1.101 -10.811 1.00 13.32 C ATOM 348 O LYS A 23 -9.230 2.041 -11.599 1.00 53.22 O ATOM 349 CB LYS A 23 -7.162 -0.141 -10.431 1.00 61.44 C ATOM 350 CG LYS A 23 -5.861 -0.297 -9.613 1.00 3.04 C ATOM 351 CD LYS A 23 -4.824 -1.215 -10.319 1.00 71.42 C ATOM 352 CE LYS A 23 -3.498 -1.320 -9.550 1.00 2.13 C ATOM 353 NZ LYS A 23 -2.506 -2.199 -10.233 1.00 50.13 N ATOM 0 H LYS A 23 -8.545 -0.756 -8.417 1.00 44.03 H new ATOM 0 HA LYS A 23 -7.729 1.747 -9.535 1.00 42.21 H new ATOM 0 HB2 LYS A 23 -7.612 -1.125 -10.565 1.00 61.44 H new ATOM 0 HB3 LYS A 23 -6.909 0.232 -11.424 1.00 61.44 H new ATOM 0 HG2 LYS A 23 -5.419 0.686 -9.447 1.00 3.04 H new ATOM 0 HG3 LYS A 23 -6.099 -0.709 -8.632 1.00 3.04 H new ATOM 0 HD2 LYS A 23 -5.250 -2.212 -10.437 1.00 71.42 H new ATOM 0 HD3 LYS A 23 -4.628 -0.831 -11.320 1.00 71.42 H new ATOM 0 HE2 LYS A 23 -3.073 -0.324 -9.429 1.00 2.13 H new ATOM 0 HE3 LYS A 23 -3.692 -1.707 -8.550 1.00 2.13 H new ATOM 0 HZ1 LYS A 23 -2.279 -3.008 -9.620 1.00 50.13 H new ATOM 0 HZ2 LYS A 23 -2.907 -2.545 -11.128 1.00 50.13 H new ATOM 0 HZ3 LYS A 23 -1.639 -1.658 -10.428 1.00 50.13 H new ATOM 367 N HIS A 24 -10.397 0.274 -10.792 1.00 65.43 N ATOM 368 CA HIS A 24 -11.539 0.417 -11.719 1.00 21.12 C ATOM 369 C HIS A 24 -12.420 1.606 -11.293 1.00 32.10 C ATOM 370 O HIS A 24 -12.875 2.382 -12.136 1.00 23.42 O ATOM 371 CB HIS A 24 -12.359 -0.898 -11.762 1.00 42.02 C ATOM 372 CG HIS A 24 -13.409 -0.986 -12.849 1.00 10.20 C ATOM 373 ND1 HIS A 24 -13.295 -1.835 -13.931 1.00 3.25 N ATOM 374 CD2 HIS A 24 -14.610 -0.372 -12.991 1.00 23.33 C ATOM 375 CE1 HIS A 24 -14.373 -1.736 -14.681 1.00 35.40 C ATOM 376 NE2 HIS A 24 -15.186 -0.858 -14.130 1.00 23.43 N ATOM 0 H HIS A 24 -10.489 -0.506 -10.141 1.00 65.43 H new ATOM 0 HA HIS A 24 -11.163 0.615 -12.723 1.00 21.12 H new ATOM 0 HB2 HIS A 24 -11.667 -1.731 -11.884 1.00 42.02 H new ATOM 0 HB3 HIS A 24 -12.850 -1.029 -10.798 1.00 42.02 H new ATOM 0 HD2 HIS A 24 -15.033 0.366 -12.325 1.00 23.33 H new ATOM 0 HE1 HIS A 24 -14.559 -2.282 -15.594 1.00 35.40 H new ATOM 0 HE2 HIS A 24 -16.098 -0.585 -14.495 1.00 23.43 H new ATOM 385 N ASN A 25 -12.642 1.727 -9.969 1.00 43.20 N ATOM 386 CA ASN A 25 -13.406 2.849 -9.370 1.00 43.45 C ATOM 387 C ASN A 25 -12.640 4.165 -9.599 1.00 30.23 C ATOM 388 O ASN A 25 -13.238 5.204 -9.906 1.00 44.42 O ATOM 389 CB ASN A 25 -13.604 2.598 -7.841 1.00 63.44 C ATOM 390 CG ASN A 25 -14.694 3.434 -7.128 1.00 75.42 C ATOM 391 OD1 ASN A 25 -15.301 2.952 -6.172 1.00 55.10 O ATOM 392 ND2 ASN A 25 -14.947 4.675 -7.531 1.00 12.13 N ATOM 0 H ASN A 25 -12.300 1.054 -9.283 1.00 43.20 H new ATOM 0 HA ASN A 25 -14.386 2.918 -9.842 1.00 43.45 H new ATOM 0 HB2 ASN A 25 -13.838 1.543 -7.698 1.00 63.44 H new ATOM 0 HB3 ASN A 25 -12.653 2.784 -7.341 1.00 63.44 H new ATOM 0 HD21 ASN A 25 -15.649 5.235 -7.047 1.00 12.13 H new ATOM 0 HD22 ASN A 25 -14.440 5.067 -8.324 1.00 12.13 H new ATOM 399 N TYR A 26 -11.302 4.092 -9.454 1.00 24.12 N ATOM 400 CA TYR A 26 -10.409 5.263 -9.527 1.00 55.30 C ATOM 401 C TYR A 26 -9.338 5.049 -10.625 1.00 20.33 C ATOM 402 O TYR A 26 -8.202 4.652 -10.322 1.00 21.15 O ATOM 403 CB TYR A 26 -9.767 5.511 -8.131 1.00 51.33 C ATOM 404 CG TYR A 26 -10.778 5.530 -6.967 1.00 34.51 C ATOM 405 CD1 TYR A 26 -11.738 6.541 -6.871 1.00 74.12 C ATOM 406 CD2 TYR A 26 -10.797 4.520 -5.997 1.00 34.13 C ATOM 407 CE1 TYR A 26 -12.678 6.537 -5.868 1.00 45.33 C ATOM 408 CE2 TYR A 26 -11.732 4.521 -4.980 1.00 13.12 C ATOM 409 CZ TYR A 26 -12.673 5.529 -4.927 1.00 63.13 C ATOM 410 OH TYR A 26 -13.633 5.511 -3.946 1.00 74.23 O ATOM 0 H TYR A 26 -10.810 3.215 -9.282 1.00 24.12 H new ATOM 0 HA TYR A 26 -10.981 6.150 -9.799 1.00 55.30 H new ATOM 0 HB2 TYR A 26 -9.025 4.735 -7.941 1.00 51.33 H new ATOM 0 HB3 TYR A 26 -9.235 6.462 -8.152 1.00 51.33 H new ATOM 0 HD1 TYR A 26 -11.741 7.340 -7.598 1.00 74.12 H new ATOM 0 HD2 TYR A 26 -10.067 3.725 -6.045 1.00 34.13 H new ATOM 0 HE1 TYR A 26 -13.419 7.321 -5.817 1.00 45.33 H new ATOM 0 HE2 TYR A 26 -11.727 3.740 -4.234 1.00 13.12 H new ATOM 0 HH TYR A 26 -14.408 4.998 -4.256 1.00 74.23 H new ATOM 420 N PRO A 27 -9.697 5.275 -11.939 1.00 3.03 N ATOM 421 CA PRO A 27 -8.766 5.045 -13.080 1.00 11.15 C ATOM 422 C PRO A 27 -7.630 6.092 -13.158 1.00 4.22 C ATOM 423 O PRO A 27 -6.647 5.895 -13.877 1.00 43.54 O ATOM 424 CB PRO A 27 -9.709 5.105 -14.311 1.00 74.31 C ATOM 425 CG PRO A 27 -10.832 6.009 -13.892 1.00 70.01 C ATOM 426 CD PRO A 27 -11.032 5.754 -12.410 1.00 61.44 C ATOM 0 HA PRO A 27 -8.226 4.102 -12.995 1.00 11.15 H new ATOM 0 HB2 PRO A 27 -9.192 5.497 -15.187 1.00 74.31 H new ATOM 0 HB3 PRO A 27 -10.077 4.114 -14.576 1.00 74.31 H new ATOM 0 HG2 PRO A 27 -10.585 7.054 -14.080 1.00 70.01 H new ATOM 0 HG3 PRO A 27 -11.741 5.791 -14.453 1.00 70.01 H new ATOM 0 HD2 PRO A 27 -11.337 6.660 -11.887 1.00 61.44 H new ATOM 0 HD3 PRO A 27 -11.808 5.008 -12.235 1.00 61.44 H new ATOM 434 N GLY A 28 -7.785 7.197 -12.412 1.00 73.44 N ATOM 435 CA GLY A 28 -6.775 8.255 -12.340 1.00 55.41 C ATOM 436 C GLY A 28 -5.963 8.223 -11.054 1.00 30.01 C ATOM 437 O GLY A 28 -5.186 9.147 -10.795 1.00 55.44 O ATOM 0 H GLY A 28 -8.613 7.378 -11.845 1.00 73.44 H new ATOM 0 HA2 GLY A 28 -6.100 8.162 -13.191 1.00 55.41 H new ATOM 0 HA3 GLY A 28 -7.266 9.224 -12.428 1.00 55.41 H new ATOM 441 N ARG A 29 -6.151 7.169 -10.236 1.00 44.34 N ATOM 442 CA ARG A 29 -5.380 6.974 -8.993 1.00 3.12 C ATOM 443 C ARG A 29 -4.439 5.783 -9.166 1.00 55.11 C ATOM 444 O ARG A 29 -4.892 4.640 -9.317 1.00 73.32 O ATOM 445 CB ARG A 29 -6.317 6.754 -7.775 1.00 62.31 C ATOM 446 CG ARG A 29 -7.262 7.940 -7.442 1.00 1.40 C ATOM 447 CD ARG A 29 -6.554 9.188 -6.890 1.00 42.31 C ATOM 448 NE ARG A 29 -5.704 9.845 -7.891 1.00 62.13 N ATOM 449 CZ ARG A 29 -4.762 10.752 -7.637 1.00 43.30 C ATOM 450 NH1 ARG A 29 -4.516 11.156 -6.388 1.00 32.33 N ATOM 451 NH2 ARG A 29 -4.042 11.231 -8.637 1.00 71.34 N ATOM 0 H ARG A 29 -6.836 6.435 -10.416 1.00 44.34 H new ATOM 0 HA ARG A 29 -4.798 7.875 -8.798 1.00 3.12 H new ATOM 0 HB2 ARG A 29 -6.924 5.868 -7.960 1.00 62.31 H new ATOM 0 HB3 ARG A 29 -5.704 6.543 -6.899 1.00 62.31 H new ATOM 0 HG2 ARG A 29 -7.807 8.217 -8.344 1.00 1.40 H new ATOM 0 HG3 ARG A 29 -8.000 7.605 -6.713 1.00 1.40 H new ATOM 0 HD2 ARG A 29 -7.301 9.896 -6.532 1.00 42.31 H new ATOM 0 HD3 ARG A 29 -5.945 8.906 -6.031 1.00 42.31 H new ATOM 0 HE ARG A 29 -5.847 9.584 -8.867 1.00 62.13 H new ATOM 0 HH11 ARG A 29 -5.053 10.769 -5.612 1.00 32.33 H new ATOM 0 HH12 ARG A 29 -3.791 11.851 -6.210 1.00 32.33 H new ATOM 0 HH21 ARG A 29 -4.211 10.906 -9.589 1.00 71.34 H new ATOM 0 HH22 ARG A 29 -3.317 11.926 -8.457 1.00 71.34 H new ATOM 465 N GLU A 30 -3.132 6.080 -9.149 1.00 61.12 N ATOM 466 CA GLU A 30 -2.075 5.084 -9.309 1.00 52.30 C ATOM 467 C GLU A 30 -1.998 4.240 -8.024 1.00 22.52 C ATOM 468 O GLU A 30 -1.914 4.791 -6.915 1.00 70.13 O ATOM 469 CB GLU A 30 -0.691 5.755 -9.589 1.00 22.21 C ATOM 470 CG GLU A 30 -0.628 6.699 -10.826 1.00 62.41 C ATOM 471 CD GLU A 30 -1.449 8.000 -10.695 1.00 23.25 C ATOM 472 OE1 GLU A 30 -1.369 8.666 -9.635 1.00 30.43 O ATOM 473 OE2 GLU A 30 -2.198 8.347 -11.628 1.00 51.31 O ATOM 0 H GLU A 30 -2.780 7.029 -9.022 1.00 61.12 H new ATOM 0 HA GLU A 30 -2.312 4.454 -10.166 1.00 52.30 H new ATOM 0 HB2 GLU A 30 -0.401 6.325 -8.707 1.00 22.21 H new ATOM 0 HB3 GLU A 30 0.052 4.968 -9.719 1.00 22.21 H new ATOM 0 HG2 GLU A 30 0.414 6.961 -11.012 1.00 62.41 H new ATOM 0 HG3 GLU A 30 -0.980 6.152 -11.701 1.00 62.41 H new ATOM 480 N ILE A 31 -2.069 2.914 -8.171 1.00 13.41 N ATOM 481 CA ILE A 31 -2.038 1.971 -7.041 1.00 5.41 C ATOM 482 C ILE A 31 -0.942 0.922 -7.297 1.00 41.53 C ATOM 483 O ILE A 31 -0.862 0.354 -8.390 1.00 23.44 O ATOM 484 CB ILE A 31 -3.446 1.295 -6.837 1.00 15.34 C ATOM 485 CG1 ILE A 31 -4.507 2.375 -6.441 1.00 14.23 C ATOM 486 CG2 ILE A 31 -3.389 0.155 -5.794 1.00 4.15 C ATOM 487 CD1 ILE A 31 -5.922 1.862 -6.270 1.00 32.22 C ATOM 0 H ILE A 31 -2.150 2.459 -9.080 1.00 13.41 H new ATOM 0 HA ILE A 31 -1.806 2.509 -6.122 1.00 5.41 H new ATOM 0 HB ILE A 31 -3.745 0.843 -7.782 1.00 15.34 H new ATOM 0 HG12 ILE A 31 -4.193 2.844 -5.508 1.00 14.23 H new ATOM 0 HG13 ILE A 31 -4.510 3.154 -7.204 1.00 14.23 H new ATOM 0 HG21 ILE A 31 -4.380 -0.286 -5.682 1.00 4.15 H new ATOM 0 HG22 ILE A 31 -2.688 -0.609 -6.128 1.00 4.15 H new ATOM 0 HG23 ILE A 31 -3.059 0.555 -4.835 1.00 4.15 H new ATOM 0 HD11 ILE A 31 -6.578 2.688 -5.996 1.00 32.22 H new ATOM 0 HD12 ILE A 31 -6.265 1.421 -7.206 1.00 32.22 H new ATOM 0 HD13 ILE A 31 -5.943 1.107 -5.484 1.00 32.22 H new ATOM 499 N ARG A 32 -0.097 0.687 -6.281 1.00 63.42 N ATOM 500 CA ARG A 32 1.085 -0.188 -6.384 1.00 61.01 C ATOM 501 C ARG A 32 0.873 -1.510 -5.645 1.00 42.14 C ATOM 502 O ARG A 32 -0.083 -1.671 -4.877 1.00 64.43 O ATOM 503 CB ARG A 32 2.324 0.565 -5.830 1.00 24.44 C ATOM 504 CG ARG A 32 2.772 1.747 -6.721 1.00 33.00 C ATOM 505 CD ARG A 32 3.230 1.281 -8.119 1.00 5.33 C ATOM 506 NE ARG A 32 3.493 2.396 -9.041 1.00 3.55 N ATOM 507 CZ ARG A 32 3.963 2.251 -10.294 1.00 52.44 C ATOM 508 NH1 ARG A 32 4.239 1.041 -10.791 1.00 34.40 N ATOM 509 NH2 ARG A 32 4.147 3.319 -11.048 1.00 71.03 N ATOM 0 H ARG A 32 -0.215 1.102 -5.357 1.00 63.42 H new ATOM 0 HA ARG A 32 1.249 -0.435 -7.433 1.00 61.01 H new ATOM 0 HB2 ARG A 32 2.097 0.938 -4.831 1.00 24.44 H new ATOM 0 HB3 ARG A 32 3.151 -0.137 -5.728 1.00 24.44 H new ATOM 0 HG2 ARG A 32 1.948 2.453 -6.827 1.00 33.00 H new ATOM 0 HG3 ARG A 32 3.588 2.280 -6.232 1.00 33.00 H new ATOM 0 HD2 ARG A 32 4.134 0.681 -8.017 1.00 5.33 H new ATOM 0 HD3 ARG A 32 2.465 0.635 -8.549 1.00 5.33 H new ATOM 0 HE ARG A 32 3.307 3.342 -8.709 1.00 3.55 H new ATOM 0 HH11 ARG A 32 4.094 0.209 -10.219 1.00 34.40 H new ATOM 0 HH12 ARG A 32 4.594 0.949 -11.743 1.00 34.40 H new ATOM 0 HH21 ARG A 32 3.933 4.246 -10.680 1.00 71.03 H new ATOM 0 HH22 ARG A 32 4.503 3.217 -11.998 1.00 71.03 H new ATOM 523 N THR A 33 1.785 -2.458 -5.899 1.00 32.50 N ATOM 524 CA THR A 33 1.750 -3.801 -5.317 1.00 43.23 C ATOM 525 C THR A 33 3.186 -4.272 -5.074 1.00 64.31 C ATOM 526 O THR A 33 3.944 -4.459 -6.036 1.00 63.12 O ATOM 527 CB THR A 33 1.030 -4.812 -6.268 1.00 13.44 C ATOM 528 OG1 THR A 33 -0.259 -4.311 -6.622 1.00 12.12 O ATOM 529 CG2 THR A 33 0.866 -6.204 -5.641 1.00 31.43 C ATOM 0 H THR A 33 2.578 -2.309 -6.523 1.00 32.50 H new ATOM 0 HA THR A 33 1.195 -3.760 -4.380 1.00 43.23 H new ATOM 0 HB THR A 33 1.661 -4.916 -7.151 1.00 13.44 H new ATOM 0 HG1 THR A 33 -0.643 -4.867 -7.332 1.00 12.12 H new ATOM 0 HG21 THR A 33 0.360 -6.863 -6.346 1.00 31.43 H new ATOM 0 HG22 THR A 33 1.848 -6.613 -5.402 1.00 31.43 H new ATOM 0 HG23 THR A 33 0.274 -6.125 -4.729 1.00 31.43 H new ATOM 537 N ALA A 34 3.551 -4.490 -3.799 1.00 13.24 N ATOM 538 CA ALA A 34 4.919 -4.862 -3.430 1.00 73.33 C ATOM 539 C ALA A 34 5.178 -6.338 -3.755 1.00 21.55 C ATOM 540 O ALA A 34 4.627 -7.246 -3.116 1.00 42.42 O ATOM 541 CB ALA A 34 5.187 -4.578 -1.956 1.00 43.14 C ATOM 0 H ALA A 34 2.912 -4.414 -3.008 1.00 13.24 H new ATOM 0 HA ALA A 34 5.606 -4.253 -4.017 1.00 73.33 H new ATOM 0 HB1 ALA A 34 6.210 -4.864 -1.710 1.00 43.14 H new ATOM 0 HB2 ALA A 34 5.050 -3.515 -1.760 1.00 43.14 H new ATOM 0 HB3 ALA A 34 4.493 -5.152 -1.343 1.00 43.14 H new ATOM 547 N THR A 35 5.987 -6.534 -4.798 1.00 51.13 N ATOM 548 CA THR A 35 6.438 -7.842 -5.272 1.00 21.33 C ATOM 549 C THR A 35 7.496 -8.432 -4.310 1.00 71.41 C ATOM 550 O THR A 35 7.532 -9.644 -4.058 1.00 51.13 O ATOM 551 CB THR A 35 7.044 -7.676 -6.707 1.00 71.21 C ATOM 552 OG1 THR A 35 6.124 -6.936 -7.536 1.00 32.03 O ATOM 553 CG2 THR A 35 7.370 -9.031 -7.372 1.00 64.34 C ATOM 0 H THR A 35 6.357 -5.762 -5.353 1.00 51.13 H new ATOM 0 HA THR A 35 5.592 -8.529 -5.305 1.00 21.33 H new ATOM 0 HB THR A 35 7.983 -7.133 -6.604 1.00 71.21 H new ATOM 0 HG1 THR A 35 6.504 -6.831 -8.433 1.00 32.03 H new ATOM 0 HG21 THR A 35 7.787 -8.858 -8.364 1.00 64.34 H new ATOM 0 HG22 THR A 35 8.095 -9.570 -6.762 1.00 64.34 H new ATOM 0 HG23 THR A 35 6.458 -9.622 -7.460 1.00 64.34 H new ATOM 561 N SER A 36 8.336 -7.541 -3.764 1.00 65.34 N ATOM 562 CA SER A 36 9.487 -7.905 -2.922 1.00 74.21 C ATOM 563 C SER A 36 9.887 -6.710 -2.037 1.00 2.32 C ATOM 564 O SER A 36 9.339 -5.608 -2.169 1.00 13.43 O ATOM 565 CB SER A 36 10.671 -8.342 -3.833 1.00 64.32 C ATOM 566 OG SER A 36 11.812 -8.736 -3.081 1.00 74.02 O ATOM 0 H SER A 36 8.235 -6.535 -3.896 1.00 65.34 H new ATOM 0 HA SER A 36 9.220 -8.736 -2.270 1.00 74.21 H new ATOM 0 HB2 SER A 36 10.353 -9.169 -4.467 1.00 64.32 H new ATOM 0 HB3 SER A 36 10.941 -7.519 -4.495 1.00 64.32 H new ATOM 0 HG SER A 36 12.530 -9.004 -3.692 1.00 74.02 H new ATOM 572 N SER A 37 10.864 -6.959 -1.148 1.00 12.34 N ATOM 573 CA SER A 37 11.499 -5.932 -0.311 1.00 51.24 C ATOM 574 C SER A 37 12.257 -4.907 -1.172 1.00 54.21 C ATOM 575 O SER A 37 12.329 -3.732 -0.818 1.00 45.21 O ATOM 576 CB SER A 37 12.441 -6.621 0.703 1.00 43.32 C ATOM 577 OG SER A 37 13.271 -7.566 0.055 1.00 64.05 O ATOM 0 H SER A 37 11.239 -7.894 -0.990 1.00 12.34 H new ATOM 0 HA SER A 37 10.730 -5.383 0.233 1.00 51.24 H new ATOM 0 HB2 SER A 37 13.056 -5.872 1.202 1.00 43.32 H new ATOM 0 HB3 SER A 37 11.852 -7.116 1.475 1.00 43.32 H new ATOM 0 HG SER A 37 13.861 -7.989 0.713 1.00 64.05 H new ATOM 583 N GLN A 38 12.799 -5.369 -2.312 1.00 63.13 N ATOM 584 CA GLN A 38 13.460 -4.488 -3.285 1.00 45.32 C ATOM 585 C GLN A 38 12.414 -3.580 -3.975 1.00 24.52 C ATOM 586 O GLN A 38 12.656 -2.387 -4.200 1.00 22.02 O ATOM 587 CB GLN A 38 14.237 -5.325 -4.336 1.00 55.42 C ATOM 588 CG GLN A 38 15.107 -4.497 -5.312 1.00 35.24 C ATOM 589 CD GLN A 38 16.225 -3.709 -4.612 1.00 34.12 C ATOM 590 OE1 GLN A 38 16.037 -2.565 -4.195 1.00 50.13 O ATOM 591 NE2 GLN A 38 17.393 -4.321 -4.471 1.00 41.31 N ATOM 0 H GLN A 38 12.791 -6.353 -2.581 1.00 63.13 H new ATOM 0 HA GLN A 38 14.175 -3.857 -2.758 1.00 45.32 H new ATOM 0 HB2 GLN A 38 14.878 -6.034 -3.813 1.00 55.42 H new ATOM 0 HB3 GLN A 38 13.522 -5.909 -4.915 1.00 55.42 H new ATOM 0 HG2 GLN A 38 15.551 -5.166 -6.049 1.00 35.24 H new ATOM 0 HG3 GLN A 38 14.468 -3.802 -5.856 1.00 35.24 H new ATOM 0 HE21 GLN A 38 17.518 -5.269 -4.827 1.00 41.31 H new ATOM 0 HE22 GLN A 38 18.166 -3.844 -4.007 1.00 41.31 H new ATOM 600 N ASP A 39 11.237 -4.165 -4.276 1.00 20.12 N ATOM 601 CA ASP A 39 10.129 -3.447 -4.933 1.00 52.40 C ATOM 602 C ASP A 39 9.545 -2.370 -4.000 1.00 31.33 C ATOM 603 O ASP A 39 9.114 -1.326 -4.469 1.00 60.40 O ATOM 604 CB ASP A 39 9.033 -4.434 -5.409 1.00 74.43 C ATOM 605 CG ASP A 39 7.965 -3.754 -6.289 1.00 2.12 C ATOM 606 OD1 ASP A 39 8.330 -3.185 -7.335 1.00 21.25 O ATOM 607 OD2 ASP A 39 6.770 -3.795 -5.955 1.00 70.12 O ATOM 0 H ASP A 39 11.030 -5.143 -4.071 1.00 20.12 H new ATOM 0 HA ASP A 39 10.526 -2.944 -5.815 1.00 52.40 H new ATOM 0 HB2 ASP A 39 9.498 -5.245 -5.970 1.00 74.43 H new ATOM 0 HB3 ASP A 39 8.551 -4.883 -4.540 1.00 74.43 H new ATOM 612 N ILE A 40 9.581 -2.633 -2.676 1.00 71.40 N ATOM 613 CA ILE A 40 9.258 -1.634 -1.630 1.00 65.14 C ATOM 614 C ILE A 40 10.097 -0.354 -1.839 1.00 74.51 C ATOM 615 O ILE A 40 9.555 0.754 -1.872 1.00 75.40 O ATOM 616 CB ILE A 40 9.524 -2.250 -0.189 1.00 74.24 C ATOM 617 CG1 ILE A 40 8.411 -3.270 0.215 1.00 31.33 C ATOM 618 CG2 ILE A 40 9.716 -1.171 0.903 1.00 60.44 C ATOM 619 CD1 ILE A 40 7.040 -2.665 0.451 1.00 2.23 C ATOM 0 H ILE A 40 9.835 -3.546 -2.300 1.00 71.40 H new ATOM 0 HA ILE A 40 8.203 -1.369 -1.704 1.00 65.14 H new ATOM 0 HB ILE A 40 10.468 -2.790 -0.261 1.00 74.24 H new ATOM 0 HG12 ILE A 40 8.329 -4.024 -0.568 1.00 31.33 H new ATOM 0 HG13 ILE A 40 8.725 -3.786 1.122 1.00 31.33 H new ATOM 0 HG21 ILE A 40 9.894 -1.654 1.864 1.00 60.44 H new ATOM 0 HG22 ILE A 40 10.570 -0.544 0.648 1.00 60.44 H new ATOM 0 HG23 ILE A 40 8.819 -0.555 0.967 1.00 60.44 H new ATOM 0 HD11 ILE A 40 6.338 -3.452 0.726 1.00 2.23 H new ATOM 0 HD12 ILE A 40 7.099 -1.933 1.257 1.00 2.23 H new ATOM 0 HD13 ILE A 40 6.697 -2.175 -0.460 1.00 2.23 H new ATOM 631 N ARG A 41 11.418 -0.546 -2.033 1.00 13.15 N ATOM 632 CA ARG A 41 12.380 0.567 -2.190 1.00 31.45 C ATOM 633 C ARG A 41 12.102 1.330 -3.503 1.00 1.15 C ATOM 634 O ARG A 41 12.242 2.551 -3.561 1.00 32.33 O ATOM 635 CB ARG A 41 13.848 0.034 -2.175 1.00 53.42 C ATOM 636 CG ARG A 41 14.134 -1.080 -1.139 1.00 11.00 C ATOM 637 CD ARG A 41 13.849 -0.682 0.322 1.00 74.01 C ATOM 638 NE ARG A 41 14.850 0.255 0.852 1.00 50.25 N ATOM 639 CZ ARG A 41 15.825 -0.071 1.725 1.00 32.22 C ATOM 640 NH1 ARG A 41 15.951 -1.314 2.184 1.00 22.44 N ATOM 641 NH2 ARG A 41 16.657 0.860 2.145 1.00 43.21 N ATOM 0 H ARG A 41 11.847 -1.470 -2.085 1.00 13.15 H new ATOM 0 HA ARG A 41 12.255 1.251 -1.351 1.00 31.45 H new ATOM 0 HB2 ARG A 41 14.090 -0.345 -3.168 1.00 53.42 H new ATOM 0 HB3 ARG A 41 14.519 0.870 -1.980 1.00 53.42 H new ATOM 0 HG2 ARG A 41 13.532 -1.954 -1.388 1.00 11.00 H new ATOM 0 HG3 ARG A 41 15.179 -1.378 -1.224 1.00 11.00 H new ATOM 0 HD2 ARG A 41 12.860 -0.228 0.386 1.00 74.01 H new ATOM 0 HD3 ARG A 41 13.829 -1.578 0.943 1.00 74.01 H new ATOM 0 HE ARG A 41 14.804 1.224 0.536 1.00 50.25 H new ATOM 0 HH11 ARG A 41 15.304 -2.040 1.876 1.00 22.44 H new ATOM 0 HH12 ARG A 41 16.695 -1.541 2.844 1.00 22.44 H new ATOM 0 HH21 ARG A 41 16.561 1.819 1.810 1.00 43.21 H new ATOM 0 HH22 ARG A 41 17.397 0.622 2.805 1.00 43.21 H new ATOM 655 N ASP A 42 11.690 0.561 -4.539 1.00 43.41 N ATOM 656 CA ASP A 42 11.333 1.080 -5.877 1.00 11.35 C ATOM 657 C ASP A 42 10.143 2.069 -5.793 1.00 5.40 C ATOM 658 O ASP A 42 10.201 3.179 -6.342 1.00 13.22 O ATOM 659 CB ASP A 42 10.979 -0.122 -6.808 1.00 3.12 C ATOM 660 CG ASP A 42 10.751 0.261 -8.283 1.00 62.35 C ATOM 661 OD1 ASP A 42 9.646 0.734 -8.633 1.00 14.22 O ATOM 662 OD2 ASP A 42 11.674 0.068 -9.106 1.00 20.23 O ATOM 0 H ASP A 42 11.596 -0.452 -4.465 1.00 43.41 H new ATOM 0 HA ASP A 42 12.184 1.625 -6.286 1.00 11.35 H new ATOM 0 HB2 ASP A 42 11.784 -0.855 -6.756 1.00 3.12 H new ATOM 0 HB3 ASP A 42 10.080 -0.608 -6.428 1.00 3.12 H new ATOM 667 N ILE A 43 9.082 1.639 -5.077 1.00 42.34 N ATOM 668 CA ILE A 43 7.823 2.397 -4.940 1.00 22.23 C ATOM 669 C ILE A 43 8.046 3.718 -4.178 1.00 45.23 C ATOM 670 O ILE A 43 7.572 4.776 -4.602 1.00 11.25 O ATOM 671 CB ILE A 43 6.717 1.547 -4.204 1.00 62.54 C ATOM 672 CG1 ILE A 43 6.442 0.196 -4.947 1.00 63.25 C ATOM 673 CG2 ILE A 43 5.412 2.365 -4.064 1.00 35.44 C ATOM 674 CD1 ILE A 43 5.598 -0.808 -4.164 1.00 23.34 C ATOM 0 H ILE A 43 9.076 0.751 -4.575 1.00 42.34 H new ATOM 0 HA ILE A 43 7.479 2.624 -5.949 1.00 22.23 H new ATOM 0 HB ILE A 43 7.089 1.307 -3.208 1.00 62.54 H new ATOM 0 HG12 ILE A 43 5.941 0.412 -5.890 1.00 63.25 H new ATOM 0 HG13 ILE A 43 7.397 -0.268 -5.193 1.00 63.25 H new ATOM 0 HG21 ILE A 43 4.659 1.764 -3.554 1.00 35.44 H new ATOM 0 HG22 ILE A 43 5.609 3.268 -3.486 1.00 35.44 H new ATOM 0 HG23 ILE A 43 5.047 2.640 -5.054 1.00 35.44 H new ATOM 0 HD11 ILE A 43 5.461 -1.711 -4.759 1.00 23.34 H new ATOM 0 HD12 ILE A 43 6.104 -1.061 -3.232 1.00 23.34 H new ATOM 0 HD13 ILE A 43 4.625 -0.370 -3.941 1.00 23.34 H new ATOM 686 N ILE A 44 8.781 3.638 -3.056 1.00 31.54 N ATOM 687 CA ILE A 44 9.042 4.799 -2.189 1.00 35.50 C ATOM 688 C ILE A 44 9.980 5.800 -2.894 1.00 51.12 C ATOM 689 O ILE A 44 9.843 7.007 -2.711 1.00 74.42 O ATOM 690 CB ILE A 44 9.628 4.355 -0.799 1.00 42.13 C ATOM 691 CG1 ILE A 44 8.650 3.346 -0.115 1.00 64.11 C ATOM 692 CG2 ILE A 44 9.903 5.578 0.122 1.00 13.23 C ATOM 693 CD1 ILE A 44 9.191 2.695 1.137 1.00 2.31 C ATOM 0 H ILE A 44 9.208 2.773 -2.726 1.00 31.54 H new ATOM 0 HA ILE A 44 8.092 5.298 -1.997 1.00 35.50 H new ATOM 0 HB ILE A 44 10.585 3.862 -0.969 1.00 42.13 H new ATOM 0 HG12 ILE A 44 7.726 3.868 0.133 1.00 64.11 H new ATOM 0 HG13 ILE A 44 8.393 2.566 -0.832 1.00 64.11 H new ATOM 0 HG21 ILE A 44 10.307 5.233 1.074 1.00 13.23 H new ATOM 0 HG22 ILE A 44 10.622 6.241 -0.359 1.00 13.23 H new ATOM 0 HG23 ILE A 44 8.973 6.118 0.297 1.00 13.23 H new ATOM 0 HD11 ILE A 44 8.445 2.011 1.543 1.00 2.31 H new ATOM 0 HD12 ILE A 44 10.098 2.141 0.896 1.00 2.31 H new ATOM 0 HD13 ILE A 44 9.420 3.463 1.876 1.00 2.31 H new ATOM 705 N LYS A 45 10.899 5.284 -3.734 1.00 70.23 N ATOM 706 CA LYS A 45 11.769 6.126 -4.580 1.00 21.25 C ATOM 707 C LYS A 45 10.932 6.867 -5.652 1.00 14.14 C ATOM 708 O LYS A 45 11.249 8.005 -6.020 1.00 20.31 O ATOM 709 CB LYS A 45 12.885 5.269 -5.240 1.00 71.34 C ATOM 710 CG LYS A 45 13.905 6.065 -6.096 1.00 42.45 C ATOM 711 CD LYS A 45 14.702 7.118 -5.289 1.00 63.11 C ATOM 712 CE LYS A 45 15.578 6.505 -4.179 1.00 40.21 C ATOM 713 NZ LYS A 45 16.635 5.612 -4.730 1.00 1.45 N ATOM 0 H LYS A 45 11.059 4.283 -3.845 1.00 70.23 H new ATOM 0 HA LYS A 45 12.247 6.874 -3.947 1.00 21.25 H new ATOM 0 HB2 LYS A 45 13.427 4.739 -4.456 1.00 71.34 H new ATOM 0 HB3 LYS A 45 12.417 4.513 -5.870 1.00 71.34 H new ATOM 0 HG2 LYS A 45 14.604 5.367 -6.556 1.00 42.45 H new ATOM 0 HG3 LYS A 45 13.375 6.565 -6.906 1.00 42.45 H new ATOM 0 HD2 LYS A 45 15.336 7.684 -5.971 1.00 63.11 H new ATOM 0 HD3 LYS A 45 14.004 7.826 -4.842 1.00 63.11 H new ATOM 0 HE2 LYS A 45 16.043 7.304 -3.602 1.00 40.21 H new ATOM 0 HE3 LYS A 45 14.949 5.940 -3.491 1.00 40.21 H new ATOM 0 HZ1 LYS A 45 17.243 5.275 -3.956 1.00 1.45 H new ATOM 0 HZ2 LYS A 45 16.191 4.798 -5.201 1.00 1.45 H new ATOM 0 HZ3 LYS A 45 17.210 6.139 -5.418 1.00 1.45 H new ATOM 727 N SER A 46 9.857 6.208 -6.124 1.00 33.31 N ATOM 728 CA SER A 46 8.879 6.810 -7.045 1.00 73.42 C ATOM 729 C SER A 46 8.063 7.916 -6.335 1.00 61.35 C ATOM 730 O SER A 46 7.600 8.862 -6.979 1.00 20.14 O ATOM 731 CB SER A 46 7.950 5.713 -7.616 1.00 55.51 C ATOM 732 OG SER A 46 7.057 6.231 -8.592 1.00 20.23 O ATOM 0 H SER A 46 9.643 5.242 -5.876 1.00 33.31 H new ATOM 0 HA SER A 46 9.415 7.276 -7.872 1.00 73.42 H new ATOM 0 HB2 SER A 46 8.553 4.921 -8.060 1.00 55.51 H new ATOM 0 HB3 SER A 46 7.379 5.262 -6.804 1.00 55.51 H new ATOM 0 HG SER A 46 6.488 5.509 -8.931 1.00 20.23 H new ATOM 738 N MET A 47 7.904 7.782 -4.998 1.00 1.21 N ATOM 739 CA MET A 47 7.262 8.810 -4.152 1.00 52.42 C ATOM 740 C MET A 47 8.241 9.963 -3.868 1.00 44.15 C ATOM 741 O MET A 47 7.823 11.098 -3.635 1.00 73.41 O ATOM 742 CB MET A 47 6.776 8.209 -2.812 1.00 51.34 C ATOM 743 CG MET A 47 5.815 7.034 -2.962 1.00 73.53 C ATOM 744 SD MET A 47 4.957 6.650 -1.432 1.00 5.21 S ATOM 745 CE MET A 47 4.023 8.164 -1.213 1.00 12.13 C ATOM 0 H MET A 47 8.216 6.961 -4.479 1.00 1.21 H new ATOM 0 HA MET A 47 6.399 9.192 -4.698 1.00 52.42 H new ATOM 0 HB2 MET A 47 7.643 7.883 -2.238 1.00 51.34 H new ATOM 0 HB3 MET A 47 6.286 8.992 -2.233 1.00 51.34 H new ATOM 0 HG2 MET A 47 5.084 7.263 -3.737 1.00 73.53 H new ATOM 0 HG3 MET A 47 6.368 6.156 -3.295 1.00 73.53 H new ATOM 0 HE1 MET A 47 4.097 8.491 -0.176 1.00 12.13 H new ATOM 0 HE2 MET A 47 4.426 8.938 -1.867 1.00 12.13 H new ATOM 0 HE3 MET A 47 2.977 7.986 -1.463 1.00 12.13 H new ATOM 755 N LYS A 48 9.543 9.638 -3.847 1.00 53.13 N ATOM 756 CA LYS A 48 10.610 10.631 -3.670 1.00 71.32 C ATOM 757 C LYS A 48 10.825 11.461 -4.940 1.00 72.41 C ATOM 758 O LYS A 48 11.236 12.620 -4.864 1.00 42.32 O ATOM 759 CB LYS A 48 11.929 9.948 -3.207 1.00 34.20 C ATOM 760 CG LYS A 48 11.850 9.324 -1.798 1.00 31.01 C ATOM 761 CD LYS A 48 11.302 10.298 -0.715 1.00 71.41 C ATOM 762 CE LYS A 48 12.271 11.434 -0.331 1.00 55.25 C ATOM 763 NZ LYS A 48 12.585 12.398 -1.421 1.00 51.11 N ATOM 0 H LYS A 48 9.883 8.682 -3.952 1.00 53.13 H new ATOM 0 HA LYS A 48 10.296 11.321 -2.887 1.00 71.32 H new ATOM 0 HB2 LYS A 48 12.195 9.171 -3.923 1.00 34.20 H new ATOM 0 HB3 LYS A 48 12.733 10.684 -3.223 1.00 34.20 H new ATOM 0 HG2 LYS A 48 11.213 8.441 -1.836 1.00 31.01 H new ATOM 0 HG3 LYS A 48 12.844 8.987 -1.503 1.00 31.01 H new ATOM 0 HD2 LYS A 48 10.372 10.737 -1.076 1.00 71.41 H new ATOM 0 HD3 LYS A 48 11.059 9.726 0.181 1.00 71.41 H new ATOM 0 HE2 LYS A 48 11.845 11.985 0.507 1.00 55.25 H new ATOM 0 HE3 LYS A 48 13.203 10.991 0.020 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 12.751 13.341 -1.014 1.00 51.11 H new ATOM 0 HZ2 LYS A 48 13.438 12.085 -1.927 1.00 51.11 H new ATOM 0 HZ3 LYS A 48 11.786 12.443 -2.085 1.00 51.11 H new ATOM 777 N ASP A 49 10.538 10.855 -6.099 1.00 42.41 N ATOM 778 CA ASP A 49 10.572 11.542 -7.401 1.00 45.45 C ATOM 779 C ASP A 49 9.295 12.375 -7.574 1.00 32.44 C ATOM 780 O ASP A 49 9.345 13.562 -7.916 1.00 44.34 O ATOM 781 CB ASP A 49 10.714 10.511 -8.553 1.00 12.42 C ATOM 782 CG ASP A 49 10.668 11.160 -9.948 1.00 24.20 C ATOM 783 OD1 ASP A 49 11.632 11.868 -10.307 1.00 22.31 O ATOM 784 OD2 ASP A 49 9.652 11.008 -10.666 1.00 2.11 O ATOM 0 H ASP A 49 10.275 9.872 -6.163 1.00 42.41 H new ATOM 0 HA ASP A 49 11.435 12.206 -7.434 1.00 45.45 H new ATOM 0 HB2 ASP A 49 11.656 9.974 -8.439 1.00 12.42 H new ATOM 0 HB3 ASP A 49 9.915 9.774 -8.474 1.00 12.42 H new ATOM 789 N ASN A 50 8.159 11.730 -7.301 1.00 51.01 N ATOM 790 CA ASN A 50 6.824 12.309 -7.480 1.00 75.24 C ATOM 791 C ASN A 50 6.073 12.199 -6.142 1.00 4.40 C ATOM 792 O ASN A 50 5.455 11.166 -5.855 1.00 31.32 O ATOM 793 CB ASN A 50 6.077 11.554 -8.624 1.00 31.13 C ATOM 794 CG ASN A 50 4.861 12.283 -9.235 1.00 74.43 C ATOM 795 OD1 ASN A 50 4.588 12.129 -10.429 1.00 72.14 O ATOM 796 ND2 ASN A 50 4.111 13.065 -8.461 1.00 41.41 N ATOM 0 H ASN A 50 8.139 10.775 -6.943 1.00 51.01 H new ATOM 0 HA ASN A 50 6.886 13.359 -7.766 1.00 75.24 H new ATOM 0 HB2 ASN A 50 6.790 11.347 -9.422 1.00 31.13 H new ATOM 0 HB3 ASN A 50 5.742 10.591 -8.239 1.00 31.13 H new ATOM 0 HD21 ASN A 50 3.301 13.545 -8.853 1.00 41.41 H new ATOM 0 HD22 ASN A 50 4.347 13.184 -7.476 1.00 41.41 H new ATOM 803 N GLY A 51 6.183 13.254 -5.310 1.00 5.51 N ATOM 804 CA GLY A 51 5.510 13.309 -4.010 1.00 34.42 C ATOM 805 C GLY A 51 3.998 13.420 -4.170 1.00 11.44 C ATOM 806 O GLY A 51 3.478 14.524 -4.326 1.00 5.32 O ATOM 0 H GLY A 51 6.738 14.083 -5.524 1.00 5.51 H new ATOM 0 HA2 GLY A 51 5.752 12.415 -3.435 1.00 34.42 H new ATOM 0 HA3 GLY A 51 5.881 14.163 -3.443 1.00 34.42 H new ATOM 810 N LYS A 52 3.308 12.271 -4.141 1.00 13.55 N ATOM 811 CA LYS A 52 1.866 12.176 -4.447 1.00 52.13 C ATOM 812 C LYS A 52 1.226 11.008 -3.641 1.00 64.23 C ATOM 813 O LYS A 52 1.962 10.204 -3.045 1.00 72.11 O ATOM 814 CB LYS A 52 1.692 11.948 -5.982 1.00 65.03 C ATOM 815 CG LYS A 52 2.089 10.538 -6.460 1.00 63.15 C ATOM 816 CD LYS A 52 1.888 10.344 -7.974 1.00 52.04 C ATOM 817 CE LYS A 52 1.872 8.865 -8.358 1.00 20.12 C ATOM 818 NZ LYS A 52 0.723 8.161 -7.724 1.00 54.41 N ATOM 0 H LYS A 52 3.733 11.375 -3.904 1.00 13.55 H new ATOM 0 HA LYS A 52 1.363 13.099 -4.161 1.00 52.13 H new ATOM 0 HB2 LYS A 52 0.651 12.130 -6.249 1.00 65.03 H new ATOM 0 HB3 LYS A 52 2.292 12.683 -6.518 1.00 65.03 H new ATOM 0 HG2 LYS A 52 3.134 10.355 -6.210 1.00 63.15 H new ATOM 0 HG3 LYS A 52 1.498 9.797 -5.922 1.00 63.15 H new ATOM 0 HD2 LYS A 52 0.951 10.809 -8.279 1.00 52.04 H new ATOM 0 HD3 LYS A 52 2.687 10.852 -8.515 1.00 52.04 H new ATOM 0 HE2 LYS A 52 1.809 8.768 -9.442 1.00 20.12 H new ATOM 0 HE3 LYS A 52 2.806 8.395 -8.049 1.00 20.12 H new ATOM 0 HZ1 LYS A 52 0.861 7.133 -7.799 1.00 54.41 H new ATOM 0 HZ2 LYS A 52 0.662 8.430 -6.721 1.00 54.41 H new ATOM 0 HZ3 LYS A 52 -0.158 8.428 -8.208 1.00 54.41 H new ATOM 832 N PRO A 53 -0.153 10.904 -3.590 1.00 65.31 N ATOM 833 CA PRO A 53 -0.851 9.701 -3.056 1.00 62.20 C ATOM 834 C PRO A 53 -0.562 8.394 -3.861 1.00 24.23 C ATOM 835 O PRO A 53 -0.559 8.400 -5.101 1.00 34.33 O ATOM 836 CB PRO A 53 -2.357 10.086 -3.122 1.00 10.31 C ATOM 837 CG PRO A 53 -2.359 11.586 -3.151 1.00 12.41 C ATOM 838 CD PRO A 53 -1.133 11.969 -3.953 1.00 51.23 C ATOM 0 HA PRO A 53 -0.506 9.461 -2.050 1.00 62.20 H new ATOM 0 HB2 PRO A 53 -2.834 9.671 -4.010 1.00 10.31 H new ATOM 0 HB3 PRO A 53 -2.903 9.705 -2.259 1.00 10.31 H new ATOM 0 HG2 PRO A 53 -3.268 11.970 -3.614 1.00 12.41 H new ATOM 0 HG3 PRO A 53 -2.315 11.999 -2.143 1.00 12.41 H new ATOM 0 HD2 PRO A 53 -1.338 11.982 -5.023 1.00 51.23 H new ATOM 0 HD3 PRO A 53 -0.769 12.961 -3.686 1.00 51.23 H new ATOM 846 N LEU A 54 -0.288 7.310 -3.118 1.00 3.42 N ATOM 847 CA LEU A 54 -0.149 5.927 -3.632 1.00 51.41 C ATOM 848 C LEU A 54 -0.779 4.959 -2.617 1.00 33.22 C ATOM 849 O LEU A 54 -0.985 5.318 -1.458 1.00 73.24 O ATOM 850 CB LEU A 54 1.355 5.552 -3.874 1.00 24.33 C ATOM 851 CG LEU A 54 1.954 5.932 -5.267 1.00 51.13 C ATOM 852 CD1 LEU A 54 3.460 5.627 -5.338 1.00 45.11 C ATOM 853 CD2 LEU A 54 1.210 5.200 -6.399 1.00 65.43 C ATOM 0 H LEU A 54 -0.152 7.368 -2.109 1.00 3.42 H new ATOM 0 HA LEU A 54 -0.661 5.854 -4.591 1.00 51.41 H new ATOM 0 HB2 LEU A 54 1.955 6.034 -3.102 1.00 24.33 H new ATOM 0 HB3 LEU A 54 1.464 4.476 -3.738 1.00 24.33 H new ATOM 0 HG LEU A 54 1.822 7.006 -5.396 1.00 51.13 H new ATOM 0 HD11 LEU A 54 3.841 5.904 -6.321 1.00 45.11 H new ATOM 0 HD12 LEU A 54 3.983 6.198 -4.571 1.00 45.11 H new ATOM 0 HD13 LEU A 54 3.624 4.562 -5.172 1.00 45.11 H new ATOM 0 HD21 LEU A 54 1.643 5.479 -7.359 1.00 65.43 H new ATOM 0 HD22 LEU A 54 1.303 4.123 -6.258 1.00 65.43 H new ATOM 0 HD23 LEU A 54 0.156 5.479 -6.382 1.00 65.43 H new ATOM 865 N VAL A 55 -1.085 3.729 -3.059 1.00 21.32 N ATOM 866 CA VAL A 55 -1.591 2.656 -2.170 1.00 73.12 C ATOM 867 C VAL A 55 -0.794 1.368 -2.454 1.00 51.34 C ATOM 868 O VAL A 55 -0.970 0.759 -3.510 1.00 12.54 O ATOM 869 CB VAL A 55 -3.139 2.389 -2.376 1.00 5.15 C ATOM 870 CG1 VAL A 55 -3.655 1.306 -1.398 1.00 41.24 C ATOM 871 CG2 VAL A 55 -3.977 3.683 -2.240 1.00 42.51 C ATOM 0 H VAL A 55 -0.992 3.445 -4.034 1.00 21.32 H new ATOM 0 HA VAL A 55 -1.457 2.973 -1.136 1.00 73.12 H new ATOM 0 HB VAL A 55 -3.262 2.023 -3.395 1.00 5.15 H new ATOM 0 HG11 VAL A 55 -4.720 1.144 -1.563 1.00 41.24 H new ATOM 0 HG12 VAL A 55 -3.116 0.374 -1.569 1.00 41.24 H new ATOM 0 HG13 VAL A 55 -3.493 1.635 -0.372 1.00 41.24 H new ATOM 0 HG21 VAL A 55 -5.032 3.451 -2.389 1.00 42.51 H new ATOM 0 HG22 VAL A 55 -3.835 4.105 -1.245 1.00 42.51 H new ATOM 0 HG23 VAL A 55 -3.655 4.405 -2.990 1.00 42.51 H new ATOM 881 N VAL A 56 0.108 0.983 -1.529 1.00 43.33 N ATOM 882 CA VAL A 56 0.953 -0.226 -1.683 1.00 41.13 C ATOM 883 C VAL A 56 0.290 -1.459 -1.037 1.00 11.34 C ATOM 884 O VAL A 56 0.252 -1.580 0.186 1.00 12.41 O ATOM 885 CB VAL A 56 2.379 -0.012 -1.053 1.00 71.11 C ATOM 886 CG1 VAL A 56 3.281 -1.267 -1.209 1.00 21.10 C ATOM 887 CG2 VAL A 56 3.057 1.227 -1.664 1.00 33.52 C ATOM 0 H VAL A 56 0.273 1.493 -0.661 1.00 43.33 H new ATOM 0 HA VAL A 56 1.061 -0.402 -2.753 1.00 41.13 H new ATOM 0 HB VAL A 56 2.242 0.153 0.016 1.00 71.11 H new ATOM 0 HG11 VAL A 56 4.255 -1.073 -0.760 1.00 21.10 H new ATOM 0 HG12 VAL A 56 2.813 -2.116 -0.710 1.00 21.10 H new ATOM 0 HG13 VAL A 56 3.408 -1.494 -2.267 1.00 21.10 H new ATOM 0 HG21 VAL A 56 4.042 1.360 -1.217 1.00 33.52 H new ATOM 0 HG22 VAL A 56 3.162 1.091 -2.740 1.00 33.52 H new ATOM 0 HG23 VAL A 56 2.447 2.109 -1.468 1.00 33.52 H new ATOM 897 N PHE A 57 -0.241 -2.360 -1.876 1.00 62.31 N ATOM 898 CA PHE A 57 -0.716 -3.682 -1.439 1.00 0.55 C ATOM 899 C PHE A 57 0.475 -4.673 -1.388 1.00 0.12 C ATOM 900 O PHE A 57 0.997 -5.057 -2.438 1.00 44.24 O ATOM 901 CB PHE A 57 -1.792 -4.217 -2.430 1.00 12.43 C ATOM 902 CG PHE A 57 -3.160 -3.522 -2.393 1.00 72.32 C ATOM 903 CD1 PHE A 57 -3.370 -2.299 -3.023 1.00 10.54 C ATOM 904 CD2 PHE A 57 -4.252 -4.123 -1.758 1.00 22.14 C ATOM 905 CE1 PHE A 57 -4.620 -1.703 -3.014 1.00 5.23 C ATOM 906 CE2 PHE A 57 -5.495 -3.523 -1.747 1.00 42.04 C ATOM 907 CZ PHE A 57 -5.679 -2.314 -2.377 1.00 75.43 C ATOM 0 H PHE A 57 -0.353 -2.194 -2.876 1.00 62.31 H new ATOM 0 HA PHE A 57 -1.157 -3.589 -0.447 1.00 0.55 H new ATOM 0 HB2 PHE A 57 -1.395 -4.136 -3.442 1.00 12.43 H new ATOM 0 HB3 PHE A 57 -1.942 -5.278 -2.231 1.00 12.43 H new ATOM 0 HD1 PHE A 57 -2.549 -1.809 -3.525 1.00 10.54 H new ATOM 0 HD2 PHE A 57 -4.120 -5.076 -1.267 1.00 22.14 H new ATOM 0 HE1 PHE A 57 -4.766 -0.754 -3.509 1.00 5.23 H new ATOM 0 HE2 PHE A 57 -6.322 -4.002 -1.244 1.00 42.04 H new ATOM 0 HZ PHE A 57 -6.651 -1.844 -2.373 1.00 75.43 H new ATOM 917 N VAL A 58 0.919 -5.084 -0.182 1.00 33.43 N ATOM 918 CA VAL A 58 1.940 -6.149 -0.040 1.00 54.02 C ATOM 919 C VAL A 58 1.228 -7.524 -0.054 1.00 35.11 C ATOM 920 O VAL A 58 0.287 -7.760 0.718 1.00 34.52 O ATOM 921 CB VAL A 58 2.855 -5.971 1.246 1.00 41.41 C ATOM 922 CG1 VAL A 58 3.541 -4.590 1.260 1.00 71.41 C ATOM 923 CG2 VAL A 58 2.100 -6.205 2.567 1.00 12.41 C ATOM 0 H VAL A 58 0.591 -4.699 0.704 1.00 33.43 H new ATOM 0 HA VAL A 58 2.626 -6.080 -0.884 1.00 54.02 H new ATOM 0 HB VAL A 58 3.618 -6.746 1.175 1.00 41.41 H new ATOM 0 HG11 VAL A 58 4.160 -4.500 2.153 1.00 71.41 H new ATOM 0 HG12 VAL A 58 4.166 -4.485 0.373 1.00 71.41 H new ATOM 0 HG13 VAL A 58 2.783 -3.807 1.264 1.00 71.41 H new ATOM 0 HG21 VAL A 58 2.783 -6.068 3.406 1.00 12.41 H new ATOM 0 HG22 VAL A 58 1.279 -5.493 2.648 1.00 12.41 H new ATOM 0 HG23 VAL A 58 1.703 -7.220 2.584 1.00 12.41 H new ATOM 933 N ASN A 59 1.627 -8.403 -0.987 1.00 71.22 N ATOM 934 CA ASN A 59 0.948 -9.701 -1.210 1.00 72.23 C ATOM 935 C ASN A 59 1.579 -10.796 -0.347 1.00 4.42 C ATOM 936 O ASN A 59 2.546 -11.437 -0.765 1.00 25.21 O ATOM 937 CB ASN A 59 0.946 -10.085 -2.721 1.00 74.22 C ATOM 938 CG ASN A 59 -0.055 -9.283 -3.563 1.00 43.45 C ATOM 939 OD1 ASN A 59 -0.653 -9.811 -4.504 1.00 1.12 O ATOM 940 ND2 ASN A 59 -0.237 -8.005 -3.260 1.00 23.42 N ATOM 0 H ASN A 59 2.422 -8.242 -1.606 1.00 71.22 H new ATOM 0 HA ASN A 59 -0.093 -9.598 -0.905 1.00 72.23 H new ATOM 0 HB2 ASN A 59 1.947 -9.937 -3.125 1.00 74.22 H new ATOM 0 HB3 ASN A 59 0.718 -11.147 -2.816 1.00 74.22 H new ATOM 0 HD21 ASN A 59 -0.882 -7.437 -3.809 1.00 23.42 H new ATOM 0 HD22 ASN A 59 0.268 -7.589 -2.477 1.00 23.42 H new ATOM 947 N GLY A 60 1.020 -10.961 0.881 1.00 61.13 N ATOM 948 CA GLY A 60 1.469 -11.982 1.841 1.00 43.31 C ATOM 949 C GLY A 60 2.958 -11.914 2.111 1.00 52.23 C ATOM 950 O GLY A 60 3.645 -12.937 2.142 1.00 2.43 O ATOM 0 H GLY A 60 0.249 -10.388 1.224 1.00 61.13 H new ATOM 0 HA2 GLY A 60 0.928 -11.857 2.779 1.00 43.31 H new ATOM 0 HA3 GLY A 60 1.218 -12.971 1.458 1.00 43.31 H new ATOM 954 N ALA A 61 3.443 -10.682 2.283 1.00 22.43 N ATOM 955 CA ALA A 61 4.870 -10.383 2.409 1.00 44.11 C ATOM 956 C ALA A 61 5.359 -10.589 3.854 1.00 41.22 C ATOM 957 O ALA A 61 4.555 -10.866 4.756 1.00 22.15 O ATOM 958 CB ALA A 61 5.097 -8.947 1.930 1.00 20.45 C ATOM 0 H ALA A 61 2.848 -9.855 2.339 1.00 22.43 H new ATOM 0 HA ALA A 61 5.452 -11.068 1.793 1.00 44.11 H new ATOM 0 HB1 ALA A 61 6.155 -8.698 2.014 1.00 20.45 H new ATOM 0 HB2 ALA A 61 4.784 -8.857 0.890 1.00 20.45 H new ATOM 0 HB3 ALA A 61 4.514 -8.262 2.545 1.00 20.45 H new ATOM 964 N SER A 62 6.675 -10.430 4.067 1.00 52.14 N ATOM 965 CA SER A 62 7.311 -10.631 5.384 1.00 31.53 C ATOM 966 C SER A 62 7.310 -9.311 6.191 1.00 71.14 C ATOM 967 O SER A 62 6.892 -8.264 5.685 1.00 61.41 O ATOM 968 CB SER A 62 8.761 -11.167 5.204 1.00 22.51 C ATOM 969 OG SER A 62 9.615 -10.217 4.583 1.00 52.43 O ATOM 0 H SER A 62 7.330 -10.159 3.333 1.00 52.14 H new ATOM 0 HA SER A 62 6.737 -11.371 5.942 1.00 31.53 H new ATOM 0 HB2 SER A 62 9.169 -11.437 6.178 1.00 22.51 H new ATOM 0 HB3 SER A 62 8.737 -12.077 4.605 1.00 22.51 H new ATOM 0 HG SER A 62 9.076 -9.575 4.076 1.00 52.43 H new ATOM 975 N GLN A 63 7.772 -9.383 7.451 1.00 72.54 N ATOM 976 CA GLN A 63 7.955 -8.198 8.312 1.00 1.21 C ATOM 977 C GLN A 63 9.181 -7.380 7.847 1.00 23.12 C ATOM 978 O GLN A 63 9.221 -6.175 8.050 1.00 22.22 O ATOM 979 CB GLN A 63 8.094 -8.627 9.809 1.00 62.15 C ATOM 980 CG GLN A 63 8.338 -7.474 10.822 1.00 45.21 C ATOM 981 CD GLN A 63 7.196 -6.452 10.892 1.00 71.00 C ATOM 982 OE1 GLN A 63 6.258 -6.610 11.664 1.00 43.42 O ATOM 983 NE2 GLN A 63 7.280 -5.382 10.116 1.00 52.42 N ATOM 0 H GLN A 63 8.029 -10.261 7.902 1.00 72.54 H new ATOM 0 HA GLN A 63 7.074 -7.562 8.227 1.00 1.21 H new ATOM 0 HB2 GLN A 63 7.187 -9.157 10.101 1.00 62.15 H new ATOM 0 HB3 GLN A 63 8.918 -9.336 9.889 1.00 62.15 H new ATOM 0 HG2 GLN A 63 8.491 -7.901 11.813 1.00 45.21 H new ATOM 0 HG3 GLN A 63 9.259 -6.957 10.553 1.00 45.21 H new ATOM 0 HE21 GLN A 63 8.071 -5.273 9.481 1.00 52.42 H new ATOM 0 HE22 GLN A 63 6.554 -4.667 10.153 1.00 52.42 H new ATOM 992 N ASN A 64 10.154 -8.053 7.187 1.00 51.23 N ATOM 993 CA ASN A 64 11.418 -7.425 6.728 1.00 41.14 C ATOM 994 C ASN A 64 11.137 -6.239 5.785 1.00 51.22 C ATOM 995 O ASN A 64 11.596 -5.126 6.038 1.00 1.42 O ATOM 996 CB ASN A 64 12.334 -8.460 6.014 1.00 32.33 C ATOM 997 CG ASN A 64 12.725 -9.634 6.912 1.00 12.20 C ATOM 998 OD1 ASN A 64 13.711 -9.572 7.645 1.00 62.32 O ATOM 999 ND2 ASN A 64 11.962 -10.715 6.856 1.00 72.22 N ATOM 0 H ASN A 64 10.086 -9.045 6.958 1.00 51.23 H new ATOM 0 HA ASN A 64 11.935 -7.055 7.613 1.00 41.14 H new ATOM 0 HB2 ASN A 64 11.822 -8.841 5.130 1.00 32.33 H new ATOM 0 HB3 ASN A 64 13.238 -7.959 5.667 1.00 32.33 H new ATOM 0 HD21 ASN A 64 12.185 -11.527 7.431 1.00 72.22 H new ATOM 0 HD22 ASN A 64 11.151 -10.735 6.238 1.00 72.22 H new ATOM 1006 N ASP A 65 10.339 -6.490 4.732 1.00 53.31 N ATOM 1007 CA ASP A 65 9.997 -5.472 3.714 1.00 33.10 C ATOM 1008 C ASP A 65 9.119 -4.351 4.292 1.00 51.10 C ATOM 1009 O ASP A 65 9.249 -3.195 3.889 1.00 61.13 O ATOM 1010 CB ASP A 65 9.312 -6.124 2.489 1.00 21.10 C ATOM 1011 CG ASP A 65 8.066 -6.941 2.830 1.00 61.45 C ATOM 1012 OD1 ASP A 65 6.963 -6.362 2.944 1.00 20.25 O ATOM 1013 OD2 ASP A 65 8.201 -8.171 2.998 1.00 32.10 O ATOM 0 H ASP A 65 9.912 -7.400 4.560 1.00 53.31 H new ATOM 0 HA ASP A 65 10.933 -5.018 3.388 1.00 33.10 H new ATOM 0 HB2 ASP A 65 9.038 -5.342 1.781 1.00 21.10 H new ATOM 0 HB3 ASP A 65 10.031 -6.771 1.986 1.00 21.10 H new ATOM 1018 N VAL A 66 8.228 -4.721 5.233 1.00 1.12 N ATOM 1019 CA VAL A 66 7.366 -3.774 5.953 1.00 63.41 C ATOM 1020 C VAL A 66 8.210 -2.837 6.840 1.00 3.24 C ATOM 1021 O VAL A 66 7.921 -1.644 6.930 1.00 52.32 O ATOM 1022 CB VAL A 66 6.291 -4.551 6.798 1.00 51.45 C ATOM 1023 CG1 VAL A 66 5.434 -3.603 7.670 1.00 72.24 C ATOM 1024 CG2 VAL A 66 5.391 -5.386 5.858 1.00 61.02 C ATOM 0 H VAL A 66 8.088 -5.692 5.514 1.00 1.12 H new ATOM 0 HA VAL A 66 6.840 -3.154 5.227 1.00 63.41 H new ATOM 0 HB VAL A 66 6.822 -5.216 7.480 1.00 51.45 H new ATOM 0 HG11 VAL A 66 4.706 -4.186 8.235 1.00 72.24 H new ATOM 0 HG12 VAL A 66 6.080 -3.061 8.361 1.00 72.24 H new ATOM 0 HG13 VAL A 66 4.911 -2.893 7.029 1.00 72.24 H new ATOM 0 HG21 VAL A 66 4.648 -5.923 6.448 1.00 61.02 H new ATOM 0 HG22 VAL A 66 4.887 -4.724 5.154 1.00 61.02 H new ATOM 0 HG23 VAL A 66 6.003 -6.101 5.308 1.00 61.02 H new ATOM 1034 N ASN A 67 9.277 -3.388 7.460 1.00 20.45 N ATOM 1035 CA ASN A 67 10.238 -2.605 8.265 1.00 25.30 C ATOM 1036 C ASN A 67 10.923 -1.583 7.363 1.00 61.34 C ATOM 1037 O ASN A 67 10.916 -0.394 7.667 1.00 72.23 O ATOM 1038 CB ASN A 67 11.305 -3.507 8.953 1.00 71.22 C ATOM 1039 CG ASN A 67 10.741 -4.392 10.063 1.00 54.42 C ATOM 1040 OD1 ASN A 67 9.796 -4.028 10.757 1.00 21.42 O ATOM 1041 ND2 ASN A 67 11.314 -5.569 10.231 1.00 30.21 N ATOM 0 H ASN A 67 9.495 -4.384 7.416 1.00 20.45 H new ATOM 0 HA ASN A 67 9.685 -2.103 9.059 1.00 25.30 H new ATOM 0 HB2 ASN A 67 11.773 -4.140 8.199 1.00 71.22 H new ATOM 0 HB3 ASN A 67 12.089 -2.874 9.369 1.00 71.22 H new ATOM 0 HD21 ASN A 67 10.973 -6.204 10.953 1.00 30.21 H new ATOM 0 HD22 ASN A 67 12.098 -5.844 9.639 1.00 30.21 H new ATOM 1048 N GLU A 68 11.452 -2.071 6.215 1.00 31.32 N ATOM 1049 CA GLU A 68 12.168 -1.242 5.231 1.00 22.42 C ATOM 1050 C GLU A 68 11.254 -0.156 4.649 1.00 51.51 C ATOM 1051 O GLU A 68 11.714 0.938 4.362 1.00 25.41 O ATOM 1052 CB GLU A 68 12.755 -2.126 4.096 1.00 2.32 C ATOM 1053 CG GLU A 68 13.727 -3.239 4.569 1.00 14.54 C ATOM 1054 CD GLU A 68 14.969 -2.736 5.344 1.00 4.14 C ATOM 1055 OE1 GLU A 68 14.850 -2.413 6.550 1.00 22.15 O ATOM 1056 OE2 GLU A 68 16.073 -2.661 4.754 1.00 72.32 O ATOM 0 H GLU A 68 11.391 -3.054 5.950 1.00 31.32 H new ATOM 0 HA GLU A 68 12.991 -0.747 5.747 1.00 22.42 H new ATOM 0 HB2 GLU A 68 11.931 -2.590 3.554 1.00 2.32 H new ATOM 0 HB3 GLU A 68 13.279 -1.483 3.389 1.00 2.32 H new ATOM 0 HG2 GLU A 68 13.178 -3.934 5.204 1.00 14.54 H new ATOM 0 HG3 GLU A 68 14.064 -3.801 3.698 1.00 14.54 H new ATOM 1063 N PHE A 69 9.944 -0.472 4.524 1.00 1.13 N ATOM 1064 CA PHE A 69 8.936 0.480 4.039 1.00 74.02 C ATOM 1065 C PHE A 69 8.842 1.663 5.003 1.00 24.33 C ATOM 1066 O PHE A 69 8.958 2.820 4.602 1.00 35.35 O ATOM 1067 CB PHE A 69 7.544 -0.205 3.882 1.00 74.04 C ATOM 1068 CG PHE A 69 6.502 0.670 3.178 1.00 54.45 C ATOM 1069 CD1 PHE A 69 5.719 1.587 3.886 1.00 24.33 C ATOM 1070 CD2 PHE A 69 6.323 0.577 1.802 1.00 64.34 C ATOM 1071 CE1 PHE A 69 4.799 2.374 3.234 1.00 13.32 C ATOM 1072 CE2 PHE A 69 5.402 1.364 1.154 1.00 3.14 C ATOM 1073 CZ PHE A 69 4.641 2.261 1.867 1.00 33.45 C ATOM 0 H PHE A 69 9.565 -1.390 4.757 1.00 1.13 H new ATOM 0 HA PHE A 69 9.242 0.838 3.056 1.00 74.02 H new ATOM 0 HB2 PHE A 69 7.666 -1.131 3.321 1.00 74.04 H new ATOM 0 HB3 PHE A 69 7.170 -0.477 4.869 1.00 74.04 H new ATOM 0 HD1 PHE A 69 5.838 1.678 4.956 1.00 24.33 H new ATOM 0 HD2 PHE A 69 6.917 -0.124 1.234 1.00 64.34 H new ATOM 0 HE1 PHE A 69 4.201 3.080 3.791 1.00 13.32 H new ATOM 0 HE2 PHE A 69 5.276 1.278 0.085 1.00 3.14 H new ATOM 0 HZ PHE A 69 3.918 2.879 1.356 1.00 33.45 H new ATOM 1083 N GLN A 70 8.647 1.323 6.283 1.00 42.35 N ATOM 1084 CA GLN A 70 8.441 2.297 7.357 1.00 24.43 C ATOM 1085 C GLN A 70 9.732 3.082 7.645 1.00 52.40 C ATOM 1086 O GLN A 70 9.654 4.219 8.082 1.00 45.24 O ATOM 1087 CB GLN A 70 7.923 1.572 8.619 1.00 33.12 C ATOM 1088 CG GLN A 70 6.618 0.779 8.381 1.00 42.35 C ATOM 1089 CD GLN A 70 6.187 -0.051 9.588 1.00 45.32 C ATOM 1090 OE1 GLN A 70 5.405 0.404 10.419 1.00 21.44 O ATOM 1091 NE2 GLN A 70 6.726 -1.256 9.719 1.00 3.52 N ATOM 0 H GLN A 70 8.628 0.355 6.603 1.00 42.35 H new ATOM 0 HA GLN A 70 7.691 3.023 7.042 1.00 24.43 H new ATOM 0 HB2 GLN A 70 8.693 0.890 8.979 1.00 33.12 H new ATOM 0 HB3 GLN A 70 7.754 2.306 9.407 1.00 33.12 H new ATOM 0 HG2 GLN A 70 5.820 1.475 8.124 1.00 42.35 H new ATOM 0 HG3 GLN A 70 6.753 0.119 7.524 1.00 42.35 H new ATOM 0 HE21 GLN A 70 7.372 -1.605 9.011 1.00 3.52 H new ATOM 0 HE22 GLN A 70 6.494 -1.833 10.527 1.00 3.52 H new ATOM 1100 N ASN A 71 10.912 2.462 7.366 1.00 42.41 N ATOM 1101 CA ASN A 71 12.223 3.133 7.480 1.00 13.10 C ATOM 1102 C ASN A 71 12.316 4.246 6.437 1.00 51.32 C ATOM 1103 O ASN A 71 12.429 5.414 6.800 1.00 44.35 O ATOM 1104 CB ASN A 71 13.426 2.151 7.302 1.00 10.22 C ATOM 1105 CG ASN A 71 13.765 1.336 8.548 1.00 64.42 C ATOM 1106 OD1 ASN A 71 14.347 1.860 9.494 1.00 20.31 O ATOM 1107 ND2 ASN A 71 13.480 0.050 8.540 1.00 42.33 N ATOM 0 H ASN A 71 10.974 1.491 7.059 1.00 42.41 H new ATOM 0 HA ASN A 71 12.289 3.542 8.488 1.00 13.10 H new ATOM 0 HB2 ASN A 71 13.202 1.466 6.484 1.00 10.22 H new ATOM 0 HB3 ASN A 71 14.306 2.723 7.007 1.00 10.22 H new ATOM 0 HD21 ASN A 71 13.744 -0.536 9.332 1.00 42.33 H new ATOM 0 HD22 ASN A 71 12.996 -0.360 7.741 1.00 42.33 H new ATOM 1114 N GLU A 72 12.196 3.856 5.147 1.00 23.42 N ATOM 1115 CA GLU A 72 12.320 4.775 3.994 1.00 4.10 C ATOM 1116 C GLU A 72 11.270 5.893 4.053 1.00 21.34 C ATOM 1117 O GLU A 72 11.503 6.993 3.573 1.00 3.44 O ATOM 1118 CB GLU A 72 12.184 4.002 2.658 1.00 24.23 C ATOM 1119 CG GLU A 72 13.192 2.859 2.444 1.00 11.51 C ATOM 1120 CD GLU A 72 14.656 3.308 2.376 1.00 50.41 C ATOM 1121 OE1 GLU A 72 15.272 3.551 3.434 1.00 64.42 O ATOM 1122 OE2 GLU A 72 15.221 3.398 1.260 1.00 32.12 O ATOM 0 H GLU A 72 12.010 2.890 4.876 1.00 23.42 H new ATOM 0 HA GLU A 72 13.310 5.228 4.046 1.00 4.10 H new ATOM 0 HB2 GLU A 72 11.177 3.590 2.599 1.00 24.23 H new ATOM 0 HB3 GLU A 72 12.287 4.711 1.837 1.00 24.23 H new ATOM 0 HG2 GLU A 72 13.083 2.139 3.255 1.00 11.51 H new ATOM 0 HG3 GLU A 72 12.941 2.339 1.520 1.00 11.51 H new ATOM 1129 N ALA A 73 10.112 5.584 4.650 1.00 71.40 N ATOM 1130 CA ALA A 73 9.025 6.539 4.803 1.00 30.52 C ATOM 1131 C ALA A 73 9.336 7.559 5.921 1.00 64.31 C ATOM 1132 O ALA A 73 9.252 8.759 5.688 1.00 22.02 O ATOM 1133 CB ALA A 73 7.712 5.790 5.050 1.00 42.33 C ATOM 0 H ALA A 73 9.910 4.663 5.038 1.00 71.40 H new ATOM 0 HA ALA A 73 8.917 7.112 3.882 1.00 30.52 H new ATOM 0 HB1 ALA A 73 6.900 6.508 5.164 1.00 42.33 H new ATOM 0 HB2 ALA A 73 7.502 5.136 4.204 1.00 42.33 H new ATOM 0 HB3 ALA A 73 7.799 5.193 5.958 1.00 42.33 H new ATOM 1139 N LYS A 74 9.758 7.077 7.116 1.00 51.15 N ATOM 1140 CA LYS A 74 9.934 7.951 8.303 1.00 41.32 C ATOM 1141 C LYS A 74 11.176 8.857 8.173 1.00 31.20 C ATOM 1142 O LYS A 74 11.143 10.017 8.601 1.00 73.34 O ATOM 1143 CB LYS A 74 9.944 7.118 9.633 1.00 62.43 C ATOM 1144 CG LYS A 74 11.176 6.194 9.907 1.00 2.20 C ATOM 1145 CD LYS A 74 12.359 6.887 10.641 1.00 1.41 C ATOM 1146 CE LYS A 74 11.969 7.468 12.015 1.00 4.30 C ATOM 1147 NZ LYS A 74 13.140 8.017 12.747 1.00 41.12 N ATOM 0 H LYS A 74 9.981 6.096 7.283 1.00 51.15 H new ATOM 0 HA LYS A 74 9.070 8.614 8.348 1.00 41.32 H new ATOM 0 HB2 LYS A 74 9.857 7.816 10.466 1.00 62.43 H new ATOM 0 HB3 LYS A 74 9.049 6.495 9.645 1.00 62.43 H new ATOM 0 HG2 LYS A 74 10.848 5.341 10.501 1.00 2.20 H new ATOM 0 HG3 LYS A 74 11.537 5.801 8.956 1.00 2.20 H new ATOM 0 HD2 LYS A 74 13.166 6.167 10.775 1.00 1.41 H new ATOM 0 HD3 LYS A 74 12.748 7.688 10.013 1.00 1.41 H new ATOM 0 HE2 LYS A 74 11.228 8.255 11.877 1.00 4.30 H new ATOM 0 HE3 LYS A 74 11.499 6.690 12.616 1.00 4.30 H new ATOM 0 HZ1 LYS A 74 12.829 8.396 13.664 1.00 41.12 H new ATOM 0 HZ2 LYS A 74 13.837 7.261 12.903 1.00 41.12 H new ATOM 0 HZ3 LYS A 74 13.574 8.778 12.187 1.00 41.12 H new ATOM 1161 N LYS A 75 12.257 8.328 7.564 1.00 1.35 N ATOM 1162 CA LYS A 75 13.539 9.055 7.439 1.00 34.14 C ATOM 1163 C LYS A 75 13.441 10.183 6.392 1.00 54.04 C ATOM 1164 O LYS A 75 14.184 11.169 6.447 1.00 14.21 O ATOM 1165 CB LYS A 75 14.688 8.076 7.083 1.00 40.11 C ATOM 1166 CG LYS A 75 14.567 7.392 5.703 1.00 11.23 C ATOM 1167 CD LYS A 75 15.722 6.402 5.409 1.00 35.22 C ATOM 1168 CE LYS A 75 17.107 7.071 5.423 1.00 41.41 C ATOM 1169 NZ LYS A 75 18.190 6.131 5.035 1.00 31.22 N ATOM 0 H LYS A 75 12.268 7.396 7.149 1.00 1.35 H new ATOM 0 HA LYS A 75 13.761 9.513 8.403 1.00 34.14 H new ATOM 0 HB2 LYS A 75 15.632 8.620 7.119 1.00 40.11 H new ATOM 0 HB3 LYS A 75 14.736 7.303 7.850 1.00 40.11 H new ATOM 0 HG2 LYS A 75 13.618 6.859 5.651 1.00 11.23 H new ATOM 0 HG3 LYS A 75 14.546 8.157 4.926 1.00 11.23 H new ATOM 0 HD2 LYS A 75 15.704 5.602 6.149 1.00 35.22 H new ATOM 0 HD3 LYS A 75 15.558 5.940 4.436 1.00 35.22 H new ATOM 0 HE2 LYS A 75 17.105 7.921 4.741 1.00 41.41 H new ATOM 0 HE3 LYS A 75 17.309 7.463 6.420 1.00 41.41 H new ATOM 0 HZ1 LYS A 75 19.104 6.626 5.059 1.00 31.22 H new ATOM 0 HZ2 LYS A 75 18.211 5.332 5.701 1.00 31.22 H new ATOM 0 HZ3 LYS A 75 18.014 5.776 4.074 1.00 31.22 H new ATOM 1183 N GLU A 76 12.517 10.013 5.431 1.00 71.51 N ATOM 1184 CA GLU A 76 12.258 10.997 4.369 1.00 14.22 C ATOM 1185 C GLU A 76 11.001 11.837 4.687 1.00 32.05 C ATOM 1186 O GLU A 76 10.701 12.808 3.980 1.00 1.12 O ATOM 1187 CB GLU A 76 12.087 10.261 3.024 1.00 5.41 C ATOM 1188 CG GLU A 76 13.265 9.340 2.618 1.00 22.52 C ATOM 1189 CD GLU A 76 14.635 10.043 2.568 1.00 73.13 C ATOM 1190 OE1 GLU A 76 14.855 10.895 1.689 1.00 2.25 O ATOM 1191 OE2 GLU A 76 15.514 9.733 3.403 1.00 10.41 O ATOM 0 H GLU A 76 11.926 9.184 5.370 1.00 71.51 H new ATOM 0 HA GLU A 76 13.106 11.679 4.305 1.00 14.22 H new ATOM 0 HB2 GLU A 76 11.178 9.661 3.070 1.00 5.41 H new ATOM 0 HB3 GLU A 76 11.940 11.003 2.239 1.00 5.41 H new ATOM 0 HG2 GLU A 76 13.321 8.511 3.323 1.00 22.52 H new ATOM 0 HG3 GLU A 76 13.054 8.912 1.638 1.00 22.52 H new ATOM 1198 N GLY A 77 10.261 11.430 5.739 1.00 0.42 N ATOM 1199 CA GLY A 77 9.057 12.136 6.185 1.00 42.04 C ATOM 1200 C GLY A 77 7.818 11.853 5.336 1.00 20.04 C ATOM 1201 O GLY A 77 6.816 12.568 5.463 1.00 34.13 O ATOM 0 H GLY A 77 10.486 10.606 6.296 1.00 0.42 H new ATOM 0 HA2 GLY A 77 8.848 11.858 7.218 1.00 42.04 H new ATOM 0 HA3 GLY A 77 9.253 13.208 6.176 1.00 42.04 H new ATOM 1205 N VAL A 78 7.895 10.821 4.467 1.00 21.55 N ATOM 1206 CA VAL A 78 6.771 10.362 3.621 1.00 73.43 C ATOM 1207 C VAL A 78 5.599 9.877 4.510 1.00 20.34 C ATOM 1208 O VAL A 78 5.742 8.888 5.234 1.00 20.14 O ATOM 1209 CB VAL A 78 7.237 9.207 2.647 1.00 33.12 C ATOM 1210 CG1 VAL A 78 6.061 8.640 1.818 1.00 21.32 C ATOM 1211 CG2 VAL A 78 8.374 9.697 1.714 1.00 34.52 C ATOM 0 H VAL A 78 8.748 10.278 4.332 1.00 21.55 H new ATOM 0 HA VAL A 78 6.430 11.201 3.015 1.00 73.43 H new ATOM 0 HB VAL A 78 7.620 8.397 3.268 1.00 33.12 H new ATOM 0 HG11 VAL A 78 6.426 7.849 1.163 1.00 21.32 H new ATOM 0 HG12 VAL A 78 5.305 8.234 2.490 1.00 21.32 H new ATOM 0 HG13 VAL A 78 5.623 9.436 1.217 1.00 21.32 H new ATOM 0 HG21 VAL A 78 8.678 8.885 1.053 1.00 34.52 H new ATOM 0 HG22 VAL A 78 8.018 10.537 1.117 1.00 34.52 H new ATOM 0 HG23 VAL A 78 9.226 10.014 2.315 1.00 34.52 H new ATOM 1221 N SER A 79 4.472 10.609 4.463 1.00 62.24 N ATOM 1222 CA SER A 79 3.293 10.365 5.305 1.00 5.24 C ATOM 1223 C SER A 79 2.647 9.006 4.955 1.00 11.25 C ATOM 1224 O SER A 79 1.857 8.904 4.017 1.00 70.23 O ATOM 1225 CB SER A 79 2.281 11.520 5.121 1.00 12.34 C ATOM 1226 OG SER A 79 2.914 12.781 5.258 1.00 74.14 O ATOM 0 H SER A 79 4.355 11.399 3.828 1.00 62.24 H new ATOM 0 HA SER A 79 3.600 10.327 6.350 1.00 5.24 H new ATOM 0 HB2 SER A 79 1.817 11.448 4.137 1.00 12.34 H new ATOM 0 HB3 SER A 79 1.483 11.429 5.857 1.00 12.34 H new ATOM 0 HG SER A 79 2.649 13.362 4.515 1.00 74.14 H new ATOM 1232 N TYR A 80 3.019 7.955 5.704 1.00 62.55 N ATOM 1233 CA TYR A 80 2.559 6.578 5.452 1.00 71.12 C ATOM 1234 C TYR A 80 1.517 6.162 6.495 1.00 21.25 C ATOM 1235 O TYR A 80 1.540 6.635 7.638 1.00 45.44 O ATOM 1236 CB TYR A 80 3.758 5.588 5.451 1.00 61.14 C ATOM 1237 CG TYR A 80 4.462 5.384 6.818 1.00 0.35 C ATOM 1238 CD1 TYR A 80 5.264 6.387 7.379 1.00 32.31 C ATOM 1239 CD2 TYR A 80 4.326 4.190 7.532 1.00 44.35 C ATOM 1240 CE1 TYR A 80 5.897 6.206 8.588 1.00 70.53 C ATOM 1241 CE2 TYR A 80 4.959 4.012 8.745 1.00 62.21 C ATOM 1242 CZ TYR A 80 5.743 5.023 9.267 1.00 45.52 C ATOM 1243 OH TYR A 80 6.383 4.844 10.471 1.00 24.13 O ATOM 0 H TYR A 80 3.648 8.036 6.503 1.00 62.55 H new ATOM 0 HA TYR A 80 2.093 6.548 4.467 1.00 71.12 H new ATOM 0 HB2 TYR A 80 3.406 4.619 5.096 1.00 61.14 H new ATOM 0 HB3 TYR A 80 4.497 5.941 4.732 1.00 61.14 H new ATOM 0 HD1 TYR A 80 5.388 7.321 6.852 1.00 32.31 H new ATOM 0 HD2 TYR A 80 3.716 3.395 7.128 1.00 44.35 H new ATOM 0 HE1 TYR A 80 6.512 6.992 9.001 1.00 70.53 H new ATOM 0 HE2 TYR A 80 4.842 3.084 9.285 1.00 62.21 H new ATOM 0 HH TYR A 80 6.172 3.955 10.825 1.00 24.13 H new ATOM 1253 N ASP A 81 0.603 5.277 6.074 1.00 0.14 N ATOM 1254 CA ASP A 81 -0.411 4.664 6.951 1.00 60.21 C ATOM 1255 C ASP A 81 -0.386 3.149 6.736 1.00 32.20 C ATOM 1256 O ASP A 81 -0.621 2.685 5.621 1.00 62.45 O ATOM 1257 CB ASP A 81 -1.828 5.224 6.634 1.00 55.21 C ATOM 1258 CG ASP A 81 -1.962 6.724 6.943 1.00 12.42 C ATOM 1259 OD1 ASP A 81 -2.310 7.079 8.095 1.00 65.24 O ATOM 1260 OD2 ASP A 81 -1.701 7.562 6.048 1.00 31.53 O ATOM 0 H ASP A 81 0.544 4.962 5.106 1.00 0.14 H new ATOM 0 HA ASP A 81 -0.183 4.901 7.990 1.00 60.21 H new ATOM 0 HB2 ASP A 81 -2.053 5.054 5.581 1.00 55.21 H new ATOM 0 HB3 ASP A 81 -2.569 4.672 7.212 1.00 55.21 H new ATOM 1265 N VAL A 82 -0.114 2.387 7.807 1.00 44.52 N ATOM 1266 CA VAL A 82 -0.080 0.912 7.757 1.00 2.54 C ATOM 1267 C VAL A 82 -1.470 0.354 8.120 1.00 74.45 C ATOM 1268 O VAL A 82 -2.122 0.849 9.045 1.00 14.31 O ATOM 1269 CB VAL A 82 1.023 0.329 8.717 1.00 32.24 C ATOM 1270 CG1 VAL A 82 1.058 -1.218 8.684 1.00 33.31 C ATOM 1271 CG2 VAL A 82 2.415 0.917 8.372 1.00 32.40 C ATOM 0 H VAL A 82 0.088 2.772 8.730 1.00 44.52 H new ATOM 0 HA VAL A 82 0.178 0.605 6.744 1.00 2.54 H new ATOM 0 HB VAL A 82 0.761 0.626 9.733 1.00 32.24 H new ATOM 0 HG11 VAL A 82 1.833 -1.579 9.360 1.00 33.31 H new ATOM 0 HG12 VAL A 82 0.091 -1.611 8.998 1.00 33.31 H new ATOM 0 HG13 VAL A 82 1.275 -1.555 7.671 1.00 33.31 H new ATOM 0 HG21 VAL A 82 3.163 0.501 9.047 1.00 32.40 H new ATOM 0 HG22 VAL A 82 2.673 0.663 7.344 1.00 32.40 H new ATOM 0 HG23 VAL A 82 2.389 2.001 8.482 1.00 32.40 H new ATOM 1281 N LEU A 83 -1.906 -0.678 7.385 1.00 31.21 N ATOM 1282 CA LEU A 83 -3.239 -1.279 7.521 1.00 61.55 C ATOM 1283 C LEU A 83 -3.109 -2.809 7.520 1.00 23.12 C ATOM 1284 O LEU A 83 -2.685 -3.381 6.530 1.00 23.35 O ATOM 1285 CB LEU A 83 -4.131 -0.814 6.336 1.00 73.50 C ATOM 1286 CG LEU A 83 -5.556 -1.456 6.246 1.00 64.44 C ATOM 1287 CD1 LEU A 83 -6.449 -1.036 7.433 1.00 15.54 C ATOM 1288 CD2 LEU A 83 -6.214 -1.135 4.891 1.00 11.33 C ATOM 0 H LEU A 83 -1.334 -1.125 6.669 1.00 31.21 H new ATOM 0 HA LEU A 83 -3.697 -0.964 8.458 1.00 61.55 H new ATOM 0 HB2 LEU A 83 -4.247 0.268 6.399 1.00 73.50 H new ATOM 0 HB3 LEU A 83 -3.602 -1.024 5.407 1.00 73.50 H new ATOM 0 HG LEU A 83 -5.440 -2.538 6.311 1.00 64.44 H new ATOM 0 HD11 LEU A 83 -7.429 -1.502 7.334 1.00 15.54 H new ATOM 0 HD12 LEU A 83 -5.987 -1.357 8.367 1.00 15.54 H new ATOM 0 HD13 LEU A 83 -6.562 0.048 7.438 1.00 15.54 H new ATOM 0 HD21 LEU A 83 -7.203 -1.591 4.850 1.00 11.33 H new ATOM 0 HD22 LEU A 83 -6.307 -0.055 4.779 1.00 11.33 H new ATOM 0 HD23 LEU A 83 -5.598 -1.532 4.084 1.00 11.33 H new ATOM 1300 N LYS A 84 -3.440 -3.455 8.641 1.00 45.11 N ATOM 1301 CA LYS A 84 -3.562 -4.926 8.718 1.00 74.14 C ATOM 1302 C LYS A 84 -5.051 -5.305 8.647 1.00 64.14 C ATOM 1303 O LYS A 84 -5.804 -5.001 9.581 1.00 24.44 O ATOM 1304 CB LYS A 84 -2.922 -5.488 10.031 1.00 50.22 C ATOM 1305 CG LYS A 84 -1.399 -5.716 9.987 1.00 21.21 C ATOM 1306 CD LYS A 84 -0.564 -4.416 9.968 1.00 14.41 C ATOM 1307 CE LYS A 84 0.948 -4.698 10.057 1.00 63.03 C ATOM 1308 NZ LYS A 84 1.311 -5.425 11.302 1.00 32.35 N ATOM 0 H LYS A 84 -3.632 -2.980 9.523 1.00 45.11 H new ATOM 0 HA LYS A 84 -3.023 -5.367 7.880 1.00 74.14 H new ATOM 0 HB2 LYS A 84 -3.144 -4.799 10.846 1.00 50.22 H new ATOM 0 HB3 LYS A 84 -3.406 -6.434 10.273 1.00 50.22 H new ATOM 0 HG2 LYS A 84 -1.107 -6.310 10.853 1.00 21.21 H new ATOM 0 HG3 LYS A 84 -1.156 -6.303 9.101 1.00 21.21 H new ATOM 0 HD2 LYS A 84 -0.776 -3.863 9.053 1.00 14.41 H new ATOM 0 HD3 LYS A 84 -0.864 -3.781 10.802 1.00 14.41 H new ATOM 0 HE2 LYS A 84 1.258 -5.285 9.192 1.00 63.03 H new ATOM 0 HE3 LYS A 84 1.495 -3.756 10.016 1.00 63.03 H new ATOM 0 HZ1 LYS A 84 2.339 -5.372 11.448 1.00 32.35 H new ATOM 0 HZ2 LYS A 84 0.824 -4.991 12.112 1.00 32.35 H new ATOM 0 HZ3 LYS A 84 1.024 -6.421 11.218 1.00 32.35 H new ATOM 1322 N SER A 85 -5.468 -5.946 7.540 1.00 74.01 N ATOM 1323 CA SER A 85 -6.842 -6.459 7.365 1.00 32.01 C ATOM 1324 C SER A 85 -6.893 -7.403 6.153 1.00 72.31 C ATOM 1325 O SER A 85 -6.200 -7.177 5.159 1.00 71.20 O ATOM 1326 CB SER A 85 -7.867 -5.305 7.175 1.00 73.31 C ATOM 1327 OG SER A 85 -9.190 -5.804 6.984 1.00 71.53 O ATOM 0 H SER A 85 -4.862 -6.124 6.739 1.00 74.01 H new ATOM 0 HA SER A 85 -7.114 -7.002 8.270 1.00 32.01 H new ATOM 0 HB2 SER A 85 -7.846 -4.652 8.047 1.00 73.31 H new ATOM 0 HB3 SER A 85 -7.579 -4.699 6.316 1.00 73.31 H new ATOM 0 HG SER A 85 -9.420 -6.411 7.718 1.00 71.53 H new ATOM 1333 N THR A 86 -7.708 -8.462 6.255 1.00 11.14 N ATOM 1334 CA THR A 86 -7.967 -9.413 5.157 1.00 44.01 C ATOM 1335 C THR A 86 -9.466 -9.391 4.780 1.00 11.12 C ATOM 1336 O THR A 86 -9.934 -10.256 4.034 1.00 34.31 O ATOM 1337 CB THR A 86 -7.529 -10.858 5.574 1.00 33.14 C ATOM 1338 OG1 THR A 86 -8.288 -11.287 6.717 1.00 25.44 O ATOM 1339 CG2 THR A 86 -6.031 -10.925 5.920 1.00 31.20 C ATOM 0 H THR A 86 -8.214 -8.688 7.112 1.00 11.14 H new ATOM 0 HA THR A 86 -7.383 -9.114 4.287 1.00 44.01 H new ATOM 0 HB THR A 86 -7.716 -11.513 4.723 1.00 33.14 H new ATOM 0 HG1 THR A 86 -8.011 -12.192 6.973 1.00 25.44 H new ATOM 0 HG21 THR A 86 -5.768 -11.944 6.204 1.00 31.20 H new ATOM 0 HG22 THR A 86 -5.443 -10.627 5.052 1.00 31.20 H new ATOM 0 HG23 THR A 86 -5.819 -10.251 6.750 1.00 31.20 H new ATOM 1347 N ASP A 87 -10.207 -8.390 5.312 1.00 43.03 N ATOM 1348 CA ASP A 87 -11.627 -8.173 4.995 1.00 53.22 C ATOM 1349 C ASP A 87 -11.711 -7.419 3.660 1.00 44.34 C ATOM 1350 O ASP A 87 -11.172 -6.305 3.571 1.00 31.43 O ATOM 1351 CB ASP A 87 -12.341 -7.332 6.089 1.00 43.43 C ATOM 1352 CG ASP A 87 -12.232 -7.916 7.500 1.00 4.12 C ATOM 1353 OD1 ASP A 87 -11.212 -7.657 8.185 1.00 10.25 O ATOM 1354 OD2 ASP A 87 -13.143 -8.654 7.935 1.00 3.51 O ATOM 0 H ASP A 87 -9.830 -7.712 5.974 1.00 43.03 H new ATOM 0 HA ASP A 87 -12.121 -9.143 4.940 1.00 53.22 H new ATOM 0 HB2 ASP A 87 -11.920 -6.326 6.091 1.00 43.43 H new ATOM 0 HB3 ASP A 87 -13.395 -7.236 5.828 1.00 43.43 H new ATOM 1359 N PRO A 88 -12.340 -8.014 2.597 1.00 53.34 N ATOM 1360 CA PRO A 88 -12.527 -7.343 1.289 1.00 10.43 C ATOM 1361 C PRO A 88 -13.111 -5.924 1.411 1.00 63.12 C ATOM 1362 O PRO A 88 -12.518 -4.954 0.916 1.00 42.21 O ATOM 1363 CB PRO A 88 -13.513 -8.272 0.556 1.00 2.24 C ATOM 1364 CG PRO A 88 -13.282 -9.627 1.143 1.00 2.15 C ATOM 1365 CD PRO A 88 -12.880 -9.401 2.588 1.00 42.21 C ATOM 0 HA PRO A 88 -11.578 -7.201 0.773 1.00 10.43 H new ATOM 0 HB2 PRO A 88 -14.543 -7.949 0.704 1.00 2.24 H new ATOM 0 HB3 PRO A 88 -13.330 -8.272 -0.519 1.00 2.24 H new ATOM 0 HG2 PRO A 88 -14.183 -10.237 1.081 1.00 2.15 H new ATOM 0 HG3 PRO A 88 -12.500 -10.158 0.600 1.00 2.15 H new ATOM 0 HD2 PRO A 88 -13.732 -9.502 3.260 1.00 42.21 H new ATOM 0 HD3 PRO A 88 -12.131 -10.123 2.912 1.00 42.21 H new ATOM 1373 N GLU A 89 -14.252 -5.828 2.116 1.00 31.04 N ATOM 1374 CA GLU A 89 -14.978 -4.562 2.307 1.00 24.03 C ATOM 1375 C GLU A 89 -14.122 -3.505 3.034 1.00 24.50 C ATOM 1376 O GLU A 89 -14.185 -2.330 2.678 1.00 1.00 O ATOM 1377 CB GLU A 89 -16.303 -4.793 3.076 1.00 33.05 C ATOM 1378 CG GLU A 89 -16.136 -5.381 4.495 1.00 23.22 C ATOM 1379 CD GLU A 89 -17.445 -5.402 5.295 1.00 63.45 C ATOM 1380 OE1 GLU A 89 -18.210 -6.383 5.190 1.00 61.53 O ATOM 1381 OE2 GLU A 89 -17.729 -4.420 6.012 1.00 73.12 O ATOM 0 H GLU A 89 -14.696 -6.627 2.569 1.00 31.04 H new ATOM 0 HA GLU A 89 -15.207 -4.178 1.313 1.00 24.03 H new ATOM 0 HB2 GLU A 89 -16.833 -3.843 3.152 1.00 33.05 H new ATOM 0 HB3 GLU A 89 -16.933 -5.464 2.492 1.00 33.05 H new ATOM 0 HG2 GLU A 89 -15.748 -6.397 4.418 1.00 23.22 H new ATOM 0 HG3 GLU A 89 -15.394 -4.797 5.039 1.00 23.22 H new ATOM 1388 N GLU A 90 -13.314 -3.943 4.029 1.00 51.41 N ATOM 1389 CA GLU A 90 -12.484 -3.038 4.840 1.00 14.30 C ATOM 1390 C GLU A 90 -11.399 -2.402 3.973 1.00 43.50 C ATOM 1391 O GLU A 90 -11.235 -1.191 3.983 1.00 32.43 O ATOM 1392 CB GLU A 90 -11.826 -3.797 6.017 1.00 63.04 C ATOM 1393 CG GLU A 90 -10.880 -2.952 6.915 1.00 44.43 C ATOM 1394 CD GLU A 90 -11.609 -1.940 7.820 1.00 33.35 C ATOM 1395 OE1 GLU A 90 -12.107 -0.914 7.320 1.00 23.02 O ATOM 1396 OE2 GLU A 90 -11.698 -2.174 9.045 1.00 32.14 O ATOM 0 H GLU A 90 -13.224 -4.926 4.286 1.00 51.41 H new ATOM 0 HA GLU A 90 -13.130 -2.259 5.245 1.00 14.30 H new ATOM 0 HB2 GLU A 90 -12.615 -4.215 6.643 1.00 63.04 H new ATOM 0 HB3 GLU A 90 -11.261 -4.637 5.614 1.00 63.04 H new ATOM 0 HG2 GLU A 90 -10.293 -3.625 7.540 1.00 44.43 H new ATOM 0 HG3 GLU A 90 -10.177 -2.414 6.279 1.00 44.43 H new ATOM 1403 N LEU A 91 -10.681 -3.248 3.212 1.00 43.24 N ATOM 1404 CA LEU A 91 -9.571 -2.809 2.352 1.00 1.24 C ATOM 1405 C LEU A 91 -10.072 -1.823 1.275 1.00 52.32 C ATOM 1406 O LEU A 91 -9.443 -0.790 1.040 1.00 3.30 O ATOM 1407 CB LEU A 91 -8.887 -4.043 1.709 1.00 60.41 C ATOM 1408 CG LEU A 91 -8.258 -5.078 2.692 1.00 14.43 C ATOM 1409 CD1 LEU A 91 -7.581 -6.236 1.927 1.00 52.32 C ATOM 1410 CD2 LEU A 91 -7.272 -4.401 3.657 1.00 42.41 C ATOM 0 H LEU A 91 -10.855 -4.252 3.177 1.00 43.24 H new ATOM 0 HA LEU A 91 -8.835 -2.284 2.961 1.00 1.24 H new ATOM 0 HB2 LEU A 91 -9.624 -4.560 1.094 1.00 60.41 H new ATOM 0 HB3 LEU A 91 -8.104 -3.689 1.039 1.00 60.41 H new ATOM 0 HG LEU A 91 -9.067 -5.501 3.287 1.00 14.43 H new ATOM 0 HD11 LEU A 91 -7.152 -6.941 2.639 1.00 52.32 H new ATOM 0 HD12 LEU A 91 -8.321 -6.747 1.311 1.00 52.32 H new ATOM 0 HD13 LEU A 91 -6.791 -5.838 1.290 1.00 52.32 H new ATOM 0 HD21 LEU A 91 -6.850 -5.148 4.329 1.00 42.41 H new ATOM 0 HD22 LEU A 91 -6.470 -3.931 3.087 1.00 42.41 H new ATOM 0 HD23 LEU A 91 -7.796 -3.643 4.239 1.00 42.41 H new ATOM 1422 N THR A 92 -11.241 -2.154 0.678 1.00 52.34 N ATOM 1423 CA THR A 92 -11.941 -1.310 -0.321 1.00 61.34 C ATOM 1424 C THR A 92 -12.256 0.080 0.258 1.00 1.32 C ATOM 1425 O THR A 92 -12.004 1.122 -0.368 1.00 11.51 O ATOM 1426 CB THR A 92 -13.283 -1.994 -0.757 1.00 40.25 C ATOM 1427 OG1 THR A 92 -13.005 -3.309 -1.270 1.00 31.20 O ATOM 1428 CG2 THR A 92 -14.048 -1.179 -1.822 1.00 60.14 C ATOM 0 H THR A 92 -11.731 -3.026 0.879 1.00 52.34 H new ATOM 0 HA THR A 92 -11.284 -1.197 -1.183 1.00 61.34 H new ATOM 0 HB THR A 92 -13.919 -2.051 0.126 1.00 40.25 H new ATOM 0 HG1 THR A 92 -12.841 -3.923 -0.524 1.00 31.20 H new ATOM 0 HG21 THR A 92 -14.969 -1.699 -2.086 1.00 60.14 H new ATOM 0 HG22 THR A 92 -14.290 -0.194 -1.422 1.00 60.14 H new ATOM 0 HG23 THR A 92 -13.426 -1.067 -2.710 1.00 60.14 H new ATOM 1436 N GLN A 93 -12.783 0.035 1.492 1.00 62.23 N ATOM 1437 CA GLN A 93 -13.219 1.188 2.256 1.00 13.21 C ATOM 1438 C GLN A 93 -12.030 2.106 2.568 1.00 63.25 C ATOM 1439 O GLN A 93 -12.111 3.308 2.384 1.00 63.34 O ATOM 1440 CB GLN A 93 -13.875 0.670 3.560 1.00 34.04 C ATOM 1441 CG GLN A 93 -14.486 1.746 4.451 1.00 65.34 C ATOM 1442 CD GLN A 93 -15.685 2.467 3.831 1.00 21.34 C ATOM 1443 OE1 GLN A 93 -15.894 3.654 4.063 1.00 73.05 O ATOM 1444 NE2 GLN A 93 -16.509 1.752 3.076 1.00 61.21 N ATOM 0 H GLN A 93 -12.917 -0.843 1.993 1.00 62.23 H new ATOM 0 HA GLN A 93 -13.938 1.774 1.684 1.00 13.21 H new ATOM 0 HB2 GLN A 93 -14.653 -0.046 3.297 1.00 34.04 H new ATOM 0 HB3 GLN A 93 -13.124 0.128 4.135 1.00 34.04 H new ATOM 0 HG2 GLN A 93 -14.797 1.290 5.391 1.00 65.34 H new ATOM 0 HG3 GLN A 93 -13.719 2.482 4.692 1.00 65.34 H new ATOM 0 HE21 GLN A 93 -16.313 0.767 2.898 1.00 61.21 H new ATOM 0 HE22 GLN A 93 -17.339 2.187 2.673 1.00 61.21 H new ATOM 1453 N ARG A 94 -10.908 1.507 2.990 1.00 71.01 N ATOM 1454 CA ARG A 94 -9.728 2.258 3.430 1.00 74.43 C ATOM 1455 C ARG A 94 -8.985 2.913 2.256 1.00 13.53 C ATOM 1456 O ARG A 94 -8.284 3.891 2.472 1.00 21.31 O ATOM 1457 CB ARG A 94 -8.780 1.352 4.249 1.00 13.50 C ATOM 1458 CG ARG A 94 -9.389 0.827 5.572 1.00 35.23 C ATOM 1459 CD ARG A 94 -9.751 1.947 6.565 1.00 4.02 C ATOM 1460 NE ARG A 94 -10.321 1.409 7.813 1.00 13.02 N ATOM 1461 CZ ARG A 94 -10.156 1.917 9.039 1.00 70.13 C ATOM 1462 NH1 ARG A 94 -9.422 3.012 9.233 1.00 34.44 N ATOM 1463 NH2 ARG A 94 -10.746 1.335 10.059 1.00 41.32 N ATOM 0 H ARG A 94 -10.795 0.494 3.035 1.00 71.01 H new ATOM 0 HA ARG A 94 -10.079 3.065 4.073 1.00 74.43 H new ATOM 0 HB2 ARG A 94 -8.488 0.501 3.634 1.00 13.50 H new ATOM 0 HB3 ARG A 94 -7.871 1.908 4.476 1.00 13.50 H new ATOM 0 HG2 ARG A 94 -10.285 0.248 5.347 1.00 35.23 H new ATOM 0 HG3 ARG A 94 -8.680 0.147 6.045 1.00 35.23 H new ATOM 0 HD2 ARG A 94 -8.860 2.531 6.795 1.00 4.02 H new ATOM 0 HD3 ARG A 94 -10.467 2.626 6.102 1.00 4.02 H new ATOM 0 HE ARG A 94 -10.896 0.570 7.734 1.00 13.02 H new ATOM 0 HH11 ARG A 94 -8.977 3.475 8.440 1.00 34.44 H new ATOM 0 HH12 ARG A 94 -9.305 3.388 10.174 1.00 34.44 H new ATOM 0 HH21 ARG A 94 -11.321 0.506 9.910 1.00 41.32 H new ATOM 0 HH22 ARG A 94 -10.628 1.712 10.999 1.00 41.32 H new ATOM 1477 N VAL A 95 -9.139 2.370 1.021 1.00 51.34 N ATOM 1478 CA VAL A 95 -8.569 2.992 -0.189 1.00 13.24 C ATOM 1479 C VAL A 95 -9.225 4.368 -0.425 1.00 71.33 C ATOM 1480 O VAL A 95 -8.527 5.366 -0.578 1.00 1.42 O ATOM 1481 CB VAL A 95 -8.727 2.081 -1.473 1.00 41.43 C ATOM 1482 CG1 VAL A 95 -8.271 2.814 -2.761 1.00 72.20 C ATOM 1483 CG2 VAL A 95 -7.947 0.750 -1.316 1.00 12.23 C ATOM 0 H VAL A 95 -9.652 1.506 0.844 1.00 51.34 H new ATOM 0 HA VAL A 95 -7.499 3.116 -0.020 1.00 13.24 H new ATOM 0 HB VAL A 95 -9.789 1.856 -1.570 1.00 41.43 H new ATOM 0 HG11 VAL A 95 -8.396 2.154 -3.619 1.00 72.20 H new ATOM 0 HG12 VAL A 95 -8.874 3.711 -2.902 1.00 72.20 H new ATOM 0 HG13 VAL A 95 -7.222 3.094 -2.668 1.00 72.20 H new ATOM 0 HG21 VAL A 95 -8.075 0.145 -2.214 1.00 12.23 H new ATOM 0 HG22 VAL A 95 -6.888 0.964 -1.170 1.00 12.23 H new ATOM 0 HG23 VAL A 95 -8.329 0.204 -0.454 1.00 12.23 H new ATOM 1493 N ARG A 96 -10.572 4.412 -0.407 1.00 20.01 N ATOM 1494 CA ARG A 96 -11.325 5.657 -0.667 1.00 32.25 C ATOM 1495 C ARG A 96 -11.238 6.644 0.504 1.00 65.23 C ATOM 1496 O ARG A 96 -11.193 7.854 0.274 1.00 31.31 O ATOM 1497 CB ARG A 96 -12.794 5.363 -1.027 1.00 71.40 C ATOM 1498 CG ARG A 96 -13.580 4.498 -0.022 1.00 61.25 C ATOM 1499 CD ARG A 96 -15.053 4.302 -0.422 1.00 74.01 C ATOM 1500 NE ARG A 96 -15.212 3.845 -1.821 1.00 72.31 N ATOM 1501 CZ ARG A 96 -16.237 3.123 -2.292 1.00 35.42 C ATOM 1502 NH1 ARG A 96 -17.237 2.729 -1.502 1.00 72.42 N ATOM 1503 NH2 ARG A 96 -16.269 2.814 -3.571 1.00 73.35 N ATOM 0 H ARG A 96 -11.161 3.601 -0.216 1.00 20.01 H new ATOM 0 HA ARG A 96 -10.853 6.132 -1.527 1.00 32.25 H new ATOM 0 HB2 ARG A 96 -13.315 6.313 -1.143 1.00 71.40 H new ATOM 0 HB3 ARG A 96 -12.816 4.867 -1.997 1.00 71.40 H new ATOM 0 HG2 ARG A 96 -13.100 3.523 0.064 1.00 61.25 H new ATOM 0 HG3 ARG A 96 -13.535 4.963 0.963 1.00 61.25 H new ATOM 0 HD2 ARG A 96 -15.513 3.575 0.247 1.00 74.01 H new ATOM 0 HD3 ARG A 96 -15.589 5.242 -0.288 1.00 74.01 H new ATOM 0 HE ARG A 96 -14.479 4.102 -2.482 1.00 72.31 H new ATOM 0 HH11 ARG A 96 -17.233 2.977 -0.513 1.00 72.42 H new ATOM 0 HH12 ARG A 96 -18.005 2.180 -1.887 1.00 72.42 H new ATOM 0 HH21 ARG A 96 -15.519 3.124 -4.189 1.00 73.35 H new ATOM 0 HH22 ARG A 96 -17.043 2.265 -3.944 1.00 73.35 H new ATOM 1517 N GLU A 97 -11.211 6.124 1.749 1.00 2.23 N ATOM 1518 CA GLU A 97 -11.041 6.959 2.948 1.00 74.42 C ATOM 1519 C GLU A 97 -9.648 7.607 2.950 1.00 12.12 C ATOM 1520 O GLU A 97 -9.498 8.764 3.353 1.00 70.13 O ATOM 1521 CB GLU A 97 -11.273 6.124 4.237 1.00 43.24 C ATOM 1522 CG GLU A 97 -12.715 5.589 4.411 1.00 22.11 C ATOM 1523 CD GLU A 97 -13.786 6.696 4.447 1.00 43.11 C ATOM 1524 OE1 GLU A 97 -14.048 7.248 5.539 1.00 34.23 O ATOM 1525 OE2 GLU A 97 -14.369 7.033 3.389 1.00 52.11 O ATOM 0 H GLU A 97 -11.305 5.128 1.946 1.00 2.23 H new ATOM 0 HA GLU A 97 -11.787 7.753 2.929 1.00 74.42 H new ATOM 0 HB2 GLU A 97 -10.584 5.279 4.235 1.00 43.24 H new ATOM 0 HB3 GLU A 97 -11.021 6.738 5.102 1.00 43.24 H new ATOM 0 HG2 GLU A 97 -12.940 4.904 3.593 1.00 22.11 H new ATOM 0 HG3 GLU A 97 -12.770 5.012 5.334 1.00 22.11 H new ATOM 1532 N PHE A 98 -8.646 6.840 2.451 1.00 24.21 N ATOM 1533 CA PHE A 98 -7.275 7.323 2.269 1.00 52.12 C ATOM 1534 C PHE A 98 -7.245 8.469 1.246 1.00 71.40 C ATOM 1535 O PHE A 98 -6.800 9.552 1.573 1.00 65.33 O ATOM 1536 CB PHE A 98 -6.328 6.174 1.819 1.00 64.34 C ATOM 1537 CG PHE A 98 -4.954 6.651 1.376 1.00 45.04 C ATOM 1538 CD1 PHE A 98 -4.031 7.108 2.313 1.00 30.42 C ATOM 1539 CD2 PHE A 98 -4.604 6.679 0.025 1.00 21.40 C ATOM 1540 CE1 PHE A 98 -2.808 7.578 1.908 1.00 75.55 C ATOM 1541 CE2 PHE A 98 -3.379 7.145 -0.373 1.00 11.43 C ATOM 1542 CZ PHE A 98 -2.484 7.596 0.565 1.00 50.33 C ATOM 0 H PHE A 98 -8.778 5.869 2.166 1.00 24.21 H new ATOM 0 HA PHE A 98 -6.919 7.696 3.230 1.00 52.12 H new ATOM 0 HB2 PHE A 98 -6.210 5.469 2.642 1.00 64.34 H new ATOM 0 HB3 PHE A 98 -6.796 5.630 0.998 1.00 64.34 H new ATOM 0 HD1 PHE A 98 -4.279 7.092 3.364 1.00 30.42 H new ATOM 0 HD2 PHE A 98 -5.308 6.329 -0.716 1.00 21.40 H new ATOM 0 HE1 PHE A 98 -2.098 7.934 2.639 1.00 75.55 H new ATOM 0 HE2 PHE A 98 -3.118 7.158 -1.421 1.00 11.43 H new ATOM 0 HZ PHE A 98 -1.520 7.968 0.251 1.00 50.33 H new ATOM 1552 N LEU A 99 -7.738 8.201 0.017 1.00 41.32 N ATOM 1553 CA LEU A 99 -7.697 9.161 -1.115 1.00 24.41 C ATOM 1554 C LEU A 99 -8.435 10.471 -0.770 1.00 4.33 C ATOM 1555 O LEU A 99 -8.048 11.555 -1.221 1.00 55.41 O ATOM 1556 CB LEU A 99 -8.304 8.507 -2.387 1.00 64.31 C ATOM 1557 CG LEU A 99 -7.565 7.241 -2.925 1.00 33.30 C ATOM 1558 CD1 LEU A 99 -8.340 6.595 -4.087 1.00 21.13 C ATOM 1559 CD2 LEU A 99 -6.111 7.564 -3.340 1.00 31.14 C ATOM 0 H LEU A 99 -8.177 7.312 -0.221 1.00 41.32 H new ATOM 0 HA LEU A 99 -6.655 9.415 -1.309 1.00 24.41 H new ATOM 0 HB2 LEU A 99 -9.338 8.237 -2.174 1.00 64.31 H new ATOM 0 HB3 LEU A 99 -8.327 9.254 -3.180 1.00 64.31 H new ATOM 0 HG LEU A 99 -7.521 6.520 -2.109 1.00 33.30 H new ATOM 0 HD11 LEU A 99 -7.800 5.716 -4.440 1.00 21.13 H new ATOM 0 HD12 LEU A 99 -9.331 6.299 -3.743 1.00 21.13 H new ATOM 0 HD13 LEU A 99 -8.438 7.312 -4.902 1.00 21.13 H new ATOM 0 HD21 LEU A 99 -5.628 6.659 -3.709 1.00 31.14 H new ATOM 0 HD22 LEU A 99 -6.116 8.319 -4.126 1.00 31.14 H new ATOM 0 HD23 LEU A 99 -5.562 7.942 -2.478 1.00 31.14 H new ATOM 1571 N LYS A 100 -9.484 10.332 0.065 1.00 54.15 N ATOM 1572 CA LYS A 100 -10.300 11.449 0.548 1.00 4.12 C ATOM 1573 C LYS A 100 -9.482 12.357 1.493 1.00 52.25 C ATOM 1574 O LYS A 100 -9.401 13.573 1.277 1.00 33.11 O ATOM 1575 CB LYS A 100 -11.552 10.894 1.270 1.00 74.32 C ATOM 1576 CG LYS A 100 -12.528 11.960 1.806 1.00 72.50 C ATOM 1577 CD LYS A 100 -13.748 11.340 2.533 1.00 12.43 C ATOM 1578 CE LYS A 100 -13.355 10.508 3.774 1.00 23.55 C ATOM 1579 NZ LYS A 100 -14.545 9.919 4.449 1.00 62.52 N ATOM 0 H LYS A 100 -9.787 9.427 0.424 1.00 54.15 H new ATOM 0 HA LYS A 100 -10.615 12.054 -0.302 1.00 4.12 H new ATOM 0 HB2 LYS A 100 -12.091 10.245 0.580 1.00 74.32 H new ATOM 0 HB3 LYS A 100 -11.225 10.272 2.103 1.00 74.32 H new ATOM 0 HG2 LYS A 100 -11.998 12.620 2.492 1.00 72.50 H new ATOM 0 HG3 LYS A 100 -12.878 12.576 0.978 1.00 72.50 H new ATOM 0 HD2 LYS A 100 -14.426 12.137 2.837 1.00 12.43 H new ATOM 0 HD3 LYS A 100 -14.295 10.705 1.836 1.00 12.43 H new ATOM 0 HE2 LYS A 100 -12.675 9.710 3.475 1.00 23.55 H new ATOM 0 HE3 LYS A 100 -12.814 11.140 4.478 1.00 23.55 H new ATOM 0 HZ1 LYS A 100 -14.242 9.142 5.070 1.00 62.52 H new ATOM 0 HZ2 LYS A 100 -15.020 10.650 5.016 1.00 62.52 H new ATOM 0 HZ3 LYS A 100 -15.205 9.553 3.733 1.00 62.52 H new ATOM 1593 N THR A 101 -8.860 11.750 2.528 1.00 42.33 N ATOM 1594 CA THR A 101 -8.075 12.498 3.537 1.00 72.31 C ATOM 1595 C THR A 101 -6.690 12.929 2.969 1.00 40.44 C ATOM 1596 O THR A 101 -6.073 13.877 3.469 1.00 71.43 O ATOM 1597 CB THR A 101 -7.909 11.665 4.864 1.00 60.51 C ATOM 1598 OG1 THR A 101 -7.336 12.471 5.908 1.00 21.03 O ATOM 1599 CG2 THR A 101 -7.035 10.418 4.669 1.00 43.13 C ATOM 0 H THR A 101 -8.886 10.743 2.687 1.00 42.33 H new ATOM 0 HA THR A 101 -8.631 13.404 3.781 1.00 72.31 H new ATOM 0 HB THR A 101 -8.911 11.343 5.147 1.00 60.51 H new ATOM 0 HG1 THR A 101 -7.244 11.934 6.723 1.00 21.03 H new ATOM 0 HG21 THR A 101 -6.953 9.880 5.613 1.00 43.13 H new ATOM 0 HG22 THR A 101 -7.489 9.769 3.920 1.00 43.13 H new ATOM 0 HG23 THR A 101 -6.042 10.718 4.335 1.00 43.13 H new ATOM 1607 N ALA A 102 -6.239 12.238 1.904 1.00 74.12 N ATOM 1608 CA ALA A 102 -4.965 12.526 1.219 1.00 42.31 C ATOM 1609 C ALA A 102 -5.110 13.751 0.313 1.00 75.51 C ATOM 1610 O ALA A 102 -4.131 14.445 0.048 1.00 50.33 O ATOM 1611 CB ALA A 102 -4.506 11.307 0.396 1.00 14.25 C ATOM 0 H ALA A 102 -6.753 11.459 1.492 1.00 74.12 H new ATOM 0 HA ALA A 102 -4.210 12.739 1.976 1.00 42.31 H new ATOM 0 HB1 ALA A 102 -3.565 11.538 -0.102 1.00 14.25 H new ATOM 0 HB2 ALA A 102 -4.366 10.453 1.058 1.00 14.25 H new ATOM 0 HB3 ALA A 102 -5.262 11.067 -0.351 1.00 14.25 H new ATOM 1617 N GLY A 103 -6.352 14.009 -0.149 1.00 4.55 N ATOM 1618 CA GLY A 103 -6.654 15.152 -1.013 1.00 75.13 C ATOM 1619 C GLY A 103 -6.894 16.440 -0.225 1.00 25.33 C ATOM 1620 O GLY A 103 -7.932 17.091 -0.385 1.00 52.35 O ATOM 0 H GLY A 103 -7.163 13.430 0.069 1.00 4.55 H new ATOM 0 HA2 GLY A 103 -5.829 15.305 -1.708 1.00 75.13 H new ATOM 0 HA3 GLY A 103 -7.537 14.927 -1.611 1.00 75.13 H new ATOM 1624 N SER A 104 -5.912 16.796 0.615 1.00 62.03 N ATOM 1625 CA SER A 104 -5.939 17.991 1.478 1.00 60.10 C ATOM 1626 C SER A 104 -4.528 18.225 2.040 1.00 55.43 C ATOM 1627 O SER A 104 -3.682 17.323 1.992 1.00 42.14 O ATOM 1628 CB SER A 104 -6.960 17.821 2.631 1.00 63.25 C ATOM 1629 OG SER A 104 -6.687 16.655 3.386 1.00 42.25 O ATOM 0 H SER A 104 -5.056 16.250 0.718 1.00 62.03 H new ATOM 0 HA SER A 104 -6.251 18.854 0.889 1.00 60.10 H new ATOM 0 HB2 SER A 104 -6.927 18.695 3.281 1.00 63.25 H new ATOM 0 HB3 SER A 104 -7.969 17.765 2.222 1.00 63.25 H new ATOM 0 HG SER A 104 -6.677 15.876 2.792 1.00 42.25 H new ATOM 1635 N LEU A 105 -4.292 19.432 2.582 1.00 53.44 N ATOM 1636 CA LEU A 105 -2.996 19.812 3.161 1.00 4.41 C ATOM 1637 C LEU A 105 -2.647 18.920 4.373 1.00 5.21 C ATOM 1638 O LEU A 105 -3.330 18.961 5.405 1.00 24.42 O ATOM 1639 CB LEU A 105 -3.015 21.312 3.571 1.00 75.21 C ATOM 1640 CG LEU A 105 -3.219 22.338 2.410 1.00 64.05 C ATOM 1641 CD1 LEU A 105 -3.362 23.774 2.953 1.00 12.24 C ATOM 1642 CD2 LEU A 105 -2.071 22.248 1.378 1.00 23.33 C ATOM 0 H LEU A 105 -4.995 20.170 2.630 1.00 53.44 H new ATOM 0 HA LEU A 105 -2.224 19.664 2.406 1.00 4.41 H new ATOM 0 HB2 LEU A 105 -3.810 21.458 4.302 1.00 75.21 H new ATOM 0 HB3 LEU A 105 -2.075 21.543 4.072 1.00 75.21 H new ATOM 0 HG LEU A 105 -4.148 22.080 1.901 1.00 64.05 H new ATOM 0 HD11 LEU A 105 -3.503 24.465 2.122 1.00 12.24 H new ATOM 0 HD12 LEU A 105 -4.223 23.827 3.619 1.00 12.24 H new ATOM 0 HD13 LEU A 105 -2.461 24.046 3.503 1.00 12.24 H new ATOM 0 HD21 LEU A 105 -2.240 22.973 0.582 1.00 23.33 H new ATOM 0 HD22 LEU A 105 -1.122 22.463 1.870 1.00 23.33 H new ATOM 0 HD23 LEU A 105 -2.041 21.244 0.954 1.00 23.33 H new ATOM 1654 N GLU A 106 -1.596 18.094 4.197 1.00 24.04 N ATOM 1655 CA GLU A 106 -0.992 17.264 5.265 1.00 43.12 C ATOM 1656 C GLU A 106 -0.552 18.156 6.440 1.00 0.15 C ATOM 1657 O GLU A 106 -0.675 17.780 7.612 1.00 23.11 O ATOM 1658 CB GLU A 106 0.242 16.514 4.692 1.00 51.52 C ATOM 1659 CG GLU A 106 -0.064 15.591 3.484 1.00 21.41 C ATOM 1660 CD GLU A 106 1.176 15.306 2.615 1.00 70.20 C ATOM 1661 OE1 GLU A 106 1.517 16.169 1.765 1.00 13.41 O ATOM 1662 OE2 GLU A 106 1.847 14.264 2.805 1.00 15.11 O ATOM 0 H GLU A 106 -1.134 17.981 3.295 1.00 24.04 H new ATOM 0 HA GLU A 106 -1.728 16.544 5.623 1.00 43.12 H new ATOM 0 HB2 GLU A 106 0.989 17.249 4.391 1.00 51.52 H new ATOM 0 HB3 GLU A 106 0.687 15.915 5.486 1.00 51.52 H new ATOM 0 HG2 GLU A 106 -0.470 14.647 3.848 1.00 21.41 H new ATOM 0 HG3 GLU A 106 -0.835 16.053 2.867 1.00 21.41 H new ATOM 1669 N HIS A 107 -0.031 19.340 6.080 1.00 44.42 N ATOM 1670 CA HIS A 107 0.424 20.370 7.020 1.00 41.15 C ATOM 1671 C HIS A 107 -0.552 21.557 6.945 1.00 33.41 C ATOM 1672 O HIS A 107 -0.694 22.172 5.884 1.00 1.40 O ATOM 1673 CB HIS A 107 1.862 20.822 6.657 1.00 33.52 C ATOM 1674 CG HIS A 107 2.854 19.693 6.535 1.00 72.31 C ATOM 1675 ND1 HIS A 107 3.404 19.052 7.626 1.00 44.22 N ATOM 1676 CD2 HIS A 107 3.378 19.082 5.442 1.00 43.40 C ATOM 1677 CE1 HIS A 107 4.215 18.101 7.209 1.00 0.54 C ATOM 1678 NE2 HIS A 107 4.218 18.097 5.891 1.00 64.31 N ATOM 0 H HIS A 107 0.087 19.611 5.104 1.00 44.42 H new ATOM 0 HA HIS A 107 0.443 19.973 8.035 1.00 41.15 H new ATOM 0 HB2 HIS A 107 1.832 21.367 5.714 1.00 33.52 H new ATOM 0 HB3 HIS A 107 2.214 21.519 7.417 1.00 33.52 H new ATOM 0 HD2 HIS A 107 3.171 19.327 4.411 1.00 43.40 H new ATOM 0 HE1 HIS A 107 4.783 17.435 7.842 1.00 0.54 H new ATOM 0 HE2 HIS A 107 4.758 17.464 5.301 1.00 64.31 H new ATOM 1687 N HIS A 108 -1.242 21.857 8.054 1.00 31.14 N ATOM 1688 CA HIS A 108 -2.258 22.929 8.107 1.00 75.35 C ATOM 1689 C HIS A 108 -1.726 24.122 8.924 1.00 23.43 C ATOM 1690 O HIS A 108 -1.767 24.104 10.160 1.00 31.32 O ATOM 1691 CB HIS A 108 -3.586 22.374 8.700 1.00 53.24 C ATOM 1692 CG HIS A 108 -4.695 23.393 8.816 1.00 33.32 C ATOM 1693 ND1 HIS A 108 -5.488 23.773 7.752 1.00 10.04 N ATOM 1694 CD2 HIS A 108 -5.121 24.127 9.874 1.00 75.02 C ATOM 1695 CE1 HIS A 108 -6.341 24.697 8.150 1.00 60.24 C ATOM 1696 NE2 HIS A 108 -6.139 24.925 9.434 1.00 43.50 N ATOM 0 H HIS A 108 -1.116 21.368 8.940 1.00 31.14 H new ATOM 0 HA HIS A 108 -2.465 23.284 7.097 1.00 75.35 H new ATOM 0 HB2 HIS A 108 -3.931 21.550 8.076 1.00 53.24 H new ATOM 0 HB3 HIS A 108 -3.383 21.962 9.689 1.00 53.24 H new ATOM 0 HD2 HIS A 108 -4.728 24.088 10.879 1.00 75.02 H new ATOM 0 HE1 HIS A 108 -7.079 25.184 7.530 1.00 60.24 H new ATOM 0 HE2 HIS A 108 -6.659 25.590 10.006 1.00 43.50 H new ATOM 1705 N HIS A 109 -1.200 25.137 8.212 1.00 74.03 N ATOM 1706 CA HIS A 109 -0.764 26.415 8.814 1.00 42.11 C ATOM 1707 C HIS A 109 -0.549 27.470 7.713 1.00 62.14 C ATOM 1708 O HIS A 109 -0.800 27.208 6.533 1.00 11.43 O ATOM 1709 CB HIS A 109 0.532 26.230 9.662 1.00 41.34 C ATOM 1710 CG HIS A 109 1.795 26.011 8.860 1.00 51.42 C ATOM 1711 ND1 HIS A 109 2.733 27.003 8.662 1.00 14.12 N ATOM 1712 CD2 HIS A 109 2.275 24.915 8.223 1.00 41.34 C ATOM 1713 CE1 HIS A 109 3.721 26.533 7.934 1.00 32.04 C ATOM 1714 NE2 HIS A 109 3.470 25.272 7.656 1.00 61.31 N ATOM 0 H HIS A 109 -1.065 25.095 7.202 1.00 74.03 H new ATOM 0 HA HIS A 109 -1.549 26.761 9.486 1.00 42.11 H new ATOM 0 HB2 HIS A 109 0.666 27.111 10.290 1.00 41.34 H new ATOM 0 HB3 HIS A 109 0.392 25.381 10.331 1.00 41.34 H new ATOM 0 HD1 HIS A 109 2.670 27.954 9.025 1.00 14.12 H new ATOM 0 HD2 HIS A 109 1.805 23.944 8.172 1.00 41.34 H new ATOM 0 HE1 HIS A 109 4.592 27.088 7.618 1.00 32.04 H new ATOM 1723 N HIS A 110 -0.095 28.668 8.116 1.00 71.21 N ATOM 1724 CA HIS A 110 0.286 29.759 7.192 1.00 21.55 C ATOM 1725 C HIS A 110 1.579 30.437 7.681 1.00 30.21 C ATOM 1726 O HIS A 110 2.189 30.007 8.673 1.00 22.31 O ATOM 1727 CB HIS A 110 -0.871 30.799 7.052 1.00 55.13 C ATOM 1728 CG HIS A 110 -2.065 30.288 6.288 1.00 1.35 C ATOM 1729 ND1 HIS A 110 -3.328 30.197 6.828 1.00 54.43 N ATOM 1730 CD2 HIS A 110 -2.169 29.834 5.017 1.00 11.11 C ATOM 1731 CE1 HIS A 110 -4.152 29.707 5.927 1.00 30.23 C ATOM 1732 NE2 HIS A 110 -3.474 29.475 4.819 1.00 4.43 N ATOM 0 H HIS A 110 0.020 28.913 9.099 1.00 71.21 H new ATOM 0 HA HIS A 110 0.469 29.332 6.206 1.00 21.55 H new ATOM 0 HB2 HIS A 110 -1.193 31.105 8.047 1.00 55.13 H new ATOM 0 HB3 HIS A 110 -0.487 31.689 6.553 1.00 55.13 H new ATOM 0 HD2 HIS A 110 -1.370 29.768 4.294 1.00 11.11 H new ATOM 0 HE1 HIS A 110 -5.207 29.525 6.070 1.00 30.23 H new ATOM 0 HE2 HIS A 110 -3.860 29.091 3.956 1.00 4.43 H new ATOM 1741 N HIS A 111 2.003 31.468 6.933 1.00 14.43 N ATOM 1742 CA HIS A 111 3.167 32.310 7.270 1.00 22.35 C ATOM 1743 C HIS A 111 2.972 33.696 6.612 1.00 32.31 C ATOM 1744 O HIS A 111 3.905 34.301 6.066 1.00 14.30 O ATOM 1745 CB HIS A 111 4.486 31.611 6.819 1.00 2.12 C ATOM 1746 CG HIS A 111 5.753 32.245 7.342 1.00 34.34 C ATOM 1747 ND1 HIS A 111 6.532 33.094 6.592 1.00 34.25 N ATOM 1748 CD2 HIS A 111 6.377 32.135 8.541 1.00 75.10 C ATOM 1749 CE1 HIS A 111 7.579 33.467 7.296 1.00 61.33 C ATOM 1750 NE2 HIS A 111 7.505 32.902 8.482 1.00 64.00 N ATOM 0 H HIS A 111 1.543 31.746 6.066 1.00 14.43 H new ATOM 0 HA HIS A 111 3.246 32.450 8.348 1.00 22.35 H new ATOM 0 HB2 HIS A 111 4.457 30.570 7.142 1.00 2.12 H new ATOM 0 HB3 HIS A 111 4.523 31.605 5.730 1.00 2.12 H new ATOM 0 HD2 HIS A 111 6.044 31.550 9.385 1.00 75.10 H new ATOM 0 HE1 HIS A 111 8.366 34.125 6.958 1.00 61.33 H new ATOM 0 HE2 HIS A 111 8.182 33.018 9.236 1.00 64.00 H new ATOM 1759 N HIS A 112 1.726 34.186 6.699 1.00 71.21 N ATOM 1760 CA HIS A 112 1.299 35.471 6.125 1.00 62.42 C ATOM 1761 C HIS A 112 0.088 35.985 6.928 1.00 45.45 C ATOM 1762 O HIS A 112 0.188 37.034 7.590 1.00 54.31 O ATOM 1763 CB HIS A 112 0.946 35.317 4.617 1.00 54.53 C ATOM 1764 CG HIS A 112 0.474 36.592 3.955 1.00 5.41 C ATOM 1765 ND1 HIS A 112 1.317 37.637 3.658 1.00 34.31 N ATOM 1766 CD2 HIS A 112 -0.754 36.983 3.542 1.00 41.50 C ATOM 1767 CE1 HIS A 112 0.632 38.607 3.095 1.00 74.04 C ATOM 1768 NE2 HIS A 112 -0.627 38.235 3.015 1.00 3.22 N ATOM 1769 OXT HIS A 112 -0.954 35.296 6.931 1.00 38.10 O ATOM 0 H HIS A 112 0.974 33.692 7.179 1.00 71.21 H new ATOM 0 HA HIS A 112 2.114 36.192 6.190 1.00 62.42 H new ATOM 0 HB2 HIS A 112 1.824 34.949 4.086 1.00 54.53 H new ATOM 0 HB3 HIS A 112 0.170 34.559 4.513 1.00 54.53 H new ATOM 0 HD2 HIS A 112 -1.666 36.410 3.616 1.00 41.50 H new ATOM 0 HE1 HIS A 112 1.035 39.550 2.756 1.00 74.04 H new ATOM 0 HE2 HIS A 112 -1.386 38.792 2.622 1.00 3.22 H new TER 1778 HIS A 112