USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 748 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 CYS SG : rot 180:sc= -0.156 USER MOD Set 1.2: A 64 GLN : amide:sc= 0.754 K(o=0.6,f=-0.16) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 8 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.52) USER MOD Single : A 11 GLN : amide:sc= 0.0282 K(o=0.028,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= 1.1 (180deg=0.894) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-2.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 47 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0094) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.0081 (180deg=-0.154) USER MOD Single : A 56 HIS : no HD1:sc= 0.059 K(o=0.059,f=-0.93) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 62 HIS : +bothHN:sc= -2 K(o=-2,f=-5.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.0042) USER MOD Single : A 72 ASN : amide:sc= -0.0356 K(o=-0.036,f=-4.2!) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0385) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.878 -5.389 -7.260 1.00 0.00 N ATOM 12 CA LEU A 2 9.525 -5.412 -6.694 1.00 0.00 C ATOM 13 C LEU A 2 8.621 -6.480 -7.316 1.00 0.00 C ATOM 14 O LEU A 2 8.190 -6.339 -8.463 1.00 0.00 O ATOM 15 CB LEU A 2 8.846 -4.039 -6.843 1.00 0.00 C ATOM 16 CG LEU A 2 9.509 -2.852 -6.127 1.00 0.00 C ATOM 17 CD1 LEU A 2 8.591 -1.630 -6.200 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.764 -3.147 -4.654 1.00 0.00 C ATOM 0 HA LEU A 2 9.654 -5.661 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.787 -3.804 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.822 -4.126 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 2 10.460 -2.668 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.063 -0.789 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.414 -1.370 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.641 -1.859 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.234 -2.282 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.818 -3.360 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.423 -4.010 -4.565 1.00 0.00 H new ATOM 30 N THR A 3 8.361 -7.550 -6.568 1.00 0.00 N ATOM 31 CA THR A 3 7.516 -8.656 -6.996 1.00 0.00 C ATOM 32 C THR A 3 6.042 -8.202 -6.978 1.00 0.00 C ATOM 33 O THR A 3 5.695 -7.182 -6.377 1.00 0.00 O ATOM 34 CB THR A 3 7.841 -9.867 -6.095 1.00 0.00 C ATOM 35 OG1 THR A 3 9.232 -10.155 -6.177 1.00 0.00 O ATOM 36 CG2 THR A 3 7.099 -11.155 -6.456 1.00 0.00 C ATOM 0 H THR A 3 8.741 -7.672 -5.629 1.00 0.00 H new ATOM 0 HA THR A 3 7.706 -8.967 -8.023 1.00 0.00 H new ATOM 0 HB THR A 3 7.520 -9.571 -5.096 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.441 -10.922 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.392 -11.949 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.024 -10.989 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.351 -11.447 -7.476 1.00 0.00 H new ATOM 44 N THR A 4 5.173 -8.982 -7.608 1.00 0.00 N ATOM 45 CA THR A 4 3.740 -8.772 -7.761 1.00 0.00 C ATOM 46 C THR A 4 2.996 -10.001 -7.209 1.00 0.00 C ATOM 47 O THR A 4 3.546 -11.104 -7.253 1.00 0.00 O ATOM 48 CB THR A 4 3.489 -8.494 -9.267 1.00 0.00 C ATOM 49 OG1 THR A 4 4.473 -9.089 -10.107 1.00 0.00 O ATOM 50 CG2 THR A 4 3.582 -6.993 -9.561 1.00 0.00 C ATOM 0 H THR A 4 5.476 -9.845 -8.060 1.00 0.00 H new ATOM 0 HA THR A 4 3.362 -7.920 -7.196 1.00 0.00 H new ATOM 0 HB THR A 4 2.501 -8.908 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.269 -8.886 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.403 -6.818 -10.622 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.834 -6.460 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.576 -6.631 -9.296 1.00 0.00 H new ATOM 58 N ILE A 5 1.793 -9.828 -6.647 1.00 0.00 N ATOM 59 CA ILE A 5 0.941 -10.883 -6.071 1.00 0.00 C ATOM 60 C ILE A 5 -0.495 -10.785 -6.620 1.00 0.00 C ATOM 61 O ILE A 5 -0.801 -9.860 -7.378 1.00 0.00 O ATOM 62 CB ILE A 5 1.005 -10.905 -4.517 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.162 -9.845 -3.771 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.454 -10.873 -4.000 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.460 -8.388 -4.126 1.00 0.00 C ATOM 0 H ILE A 5 1.364 -8.905 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 5 1.335 -11.848 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 5 0.535 -11.859 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.892 -10.040 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.313 -9.976 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.452 -10.890 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.993 -11.743 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.944 -9.964 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.188 -7.732 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.502 -8.164 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.279 -8.228 -5.189 1.00 0.00 H new ATOM 77 N SER A 6 -1.389 -11.705 -6.242 1.00 0.00 N ATOM 78 CA SER A 6 -2.789 -11.721 -6.685 1.00 0.00 C ATOM 79 C SER A 6 -3.545 -10.476 -6.152 1.00 0.00 C ATOM 80 O SER A 6 -3.091 -9.860 -5.181 1.00 0.00 O ATOM 81 CB SER A 6 -3.445 -13.051 -6.267 1.00 0.00 C ATOM 82 OG SER A 6 -2.488 -14.082 -6.036 1.00 0.00 O ATOM 0 H SER A 6 -1.158 -12.471 -5.610 1.00 0.00 H new ATOM 0 HA SER A 6 -2.837 -11.662 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.032 -12.895 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.138 -13.371 -7.045 1.00 0.00 H new ATOM 0 HG SER A 6 -2.951 -14.905 -5.772 1.00 0.00 H new ATOM 88 N PRO A 7 -4.721 -10.096 -6.685 1.00 0.00 N ATOM 89 CA PRO A 7 -5.456 -8.901 -6.255 1.00 0.00 C ATOM 90 C PRO A 7 -6.041 -8.940 -4.838 1.00 0.00 C ATOM 91 O PRO A 7 -6.475 -7.893 -4.351 1.00 0.00 O ATOM 92 CB PRO A 7 -6.552 -8.702 -7.308 1.00 0.00 C ATOM 93 CG PRO A 7 -6.803 -10.107 -7.835 1.00 0.00 C ATOM 94 CD PRO A 7 -5.403 -10.711 -7.808 1.00 0.00 C ATOM 0 HA PRO A 7 -4.757 -8.067 -6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.453 -8.271 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.228 -8.028 -8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.498 -10.661 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.223 -10.096 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.448 -11.794 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.875 -10.513 -8.741 1.00 0.00 H new ATOM 102 N HIS A 8 -6.021 -10.095 -4.172 1.00 0.00 N ATOM 103 CA HIS A 8 -6.551 -10.302 -2.826 1.00 0.00 C ATOM 104 C HIS A 8 -5.478 -10.820 -1.861 1.00 0.00 C ATOM 105 O HIS A 8 -5.565 -10.579 -0.659 1.00 0.00 O ATOM 106 CB HIS A 8 -7.698 -11.303 -2.981 1.00 0.00 C ATOM 107 CG HIS A 8 -8.535 -11.586 -1.762 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.271 -10.682 -1.027 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.823 -12.836 -1.292 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.991 -11.377 -0.129 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.741 -12.693 -0.246 1.00 0.00 N ATOM 0 H HIS A 8 -5.620 -10.943 -4.571 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.896 -9.364 -2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.359 -10.940 -3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.278 -12.247 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.416 -13.766 -1.661 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.673 -10.940 0.585 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.143 -13.442 0.318 1.00 0.00 H new ATOM 119 N ASP A 9 -4.425 -11.457 -2.393 1.00 0.00 N ATOM 120 CA ASP A 9 -3.304 -12.032 -1.627 1.00 0.00 C ATOM 121 C ASP A 9 -2.579 -10.993 -0.768 1.00 0.00 C ATOM 122 O ASP A 9 -1.879 -11.326 0.183 1.00 0.00 O ATOM 123 CB ASP A 9 -2.301 -12.696 -2.577 1.00 0.00 C ATOM 124 CG ASP A 9 -1.661 -13.937 -1.958 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.176 -15.056 -2.181 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.553 -13.851 -1.381 1.00 0.00 O ATOM 0 H ASP A 9 -4.325 -11.592 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.733 -12.773 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.806 -12.972 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.523 -11.980 -2.840 1.00 0.00 H new ATOM 131 N ALA A 10 -2.743 -9.712 -1.099 1.00 0.00 N ATOM 132 CA ALA A 10 -2.140 -8.625 -0.350 1.00 0.00 C ATOM 133 C ALA A 10 -2.621 -8.697 1.107 1.00 0.00 C ATOM 134 O ALA A 10 -1.806 -8.649 2.028 1.00 0.00 O ATOM 135 CB ALA A 10 -2.535 -7.292 -0.992 1.00 0.00 C ATOM 0 H ALA A 10 -3.300 -9.405 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.053 -8.707 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.085 -6.472 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.182 -7.266 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.620 -7.188 -0.977 1.00 0.00 H new ATOM 141 N GLN A 11 -3.940 -8.818 1.309 1.00 0.00 N ATOM 142 CA GLN A 11 -4.569 -8.891 2.622 1.00 0.00 C ATOM 143 C GLN A 11 -4.090 -10.106 3.398 1.00 0.00 C ATOM 144 O GLN A 11 -3.807 -9.990 4.586 1.00 0.00 O ATOM 145 CB GLN A 11 -6.084 -8.862 2.450 1.00 0.00 C ATOM 146 CG GLN A 11 -6.772 -8.138 3.622 1.00 0.00 C ATOM 147 CD GLN A 11 -7.349 -9.056 4.695 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.614 -10.229 4.471 1.00 0.00 O ATOM 149 NE2 GLN A 11 -7.584 -8.543 5.885 1.00 0.00 N ATOM 0 H GLN A 11 -4.610 -8.869 0.541 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.277 -8.026 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.335 -8.362 1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.463 -9.882 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.051 -7.466 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.575 -7.517 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.363 -7.565 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.987 -9.124 6.620 1.00 0.00 H new ATOM 158 N GLU A 12 -3.962 -11.237 2.710 1.00 0.00 N ATOM 159 CA GLU A 12 -3.481 -12.499 3.255 1.00 0.00 C ATOM 160 C GLU A 12 -2.100 -12.282 3.857 1.00 0.00 C ATOM 161 O GLU A 12 -1.826 -12.744 4.958 1.00 0.00 O ATOM 162 CB GLU A 12 -3.446 -13.518 2.114 1.00 0.00 C ATOM 163 CG GLU A 12 -2.980 -14.914 2.507 1.00 0.00 C ATOM 164 CD GLU A 12 -3.895 -15.602 3.508 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.116 -15.693 3.236 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.399 -16.149 4.509 1.00 0.00 O ATOM 0 H GLU A 12 -4.200 -11.300 1.720 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.134 -12.873 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.445 -13.593 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.789 -13.140 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.908 -15.530 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.977 -14.848 2.930 1.00 0.00 H new ATOM 173 N LEU A 13 -1.221 -11.560 3.165 1.00 0.00 N ATOM 174 CA LEU A 13 0.121 -11.323 3.661 1.00 0.00 C ATOM 175 C LEU A 13 0.054 -10.486 4.932 1.00 0.00 C ATOM 176 O LEU A 13 0.687 -10.831 5.925 1.00 0.00 O ATOM 177 CB LEU A 13 0.955 -10.670 2.558 1.00 0.00 C ATOM 178 CG LEU A 13 1.369 -11.657 1.451 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.752 -10.877 0.187 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.527 -12.541 1.932 1.00 0.00 C ATOM 0 H LEU A 13 -1.419 -11.132 2.261 1.00 0.00 H new ATOM 0 HA LEU A 13 0.610 -12.261 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.385 -9.854 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.850 -10.231 2.999 1.00 0.00 H new ATOM 0 HG LEU A 13 0.530 -12.311 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.045 -11.576 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.898 -10.290 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.585 -10.211 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.809 -13.234 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.381 -11.914 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.214 -13.104 2.811 1.00 0.00 H new ATOM 192 N ILE A 14 -0.719 -9.401 4.939 1.00 0.00 N ATOM 193 CA ILE A 14 -0.864 -8.525 6.105 1.00 0.00 C ATOM 194 C ILE A 14 -1.492 -9.300 7.275 1.00 0.00 C ATOM 195 O ILE A 14 -1.113 -9.086 8.431 1.00 0.00 O ATOM 196 CB ILE A 14 -1.676 -7.277 5.710 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.000 -6.480 4.575 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.864 -6.316 6.886 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.051 -5.926 3.618 1.00 0.00 C ATOM 0 H ILE A 14 -1.266 -9.102 4.132 1.00 0.00 H new ATOM 0 HA ILE A 14 0.114 -8.184 6.445 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.641 -7.660 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.414 -5.663 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.307 -7.123 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.442 -5.451 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.395 -6.825 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.889 -5.986 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.560 -5.366 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.619 -6.749 3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.727 -5.266 4.162 1.00 0.00 H new ATOM 211 N ALA A 15 -2.409 -10.230 6.996 1.00 0.00 N ATOM 212 CA ALA A 15 -3.068 -11.043 8.007 1.00 0.00 C ATOM 213 C ALA A 15 -2.026 -11.943 8.671 1.00 0.00 C ATOM 214 O ALA A 15 -1.993 -12.066 9.897 1.00 0.00 O ATOM 215 CB ALA A 15 -4.195 -11.877 7.382 1.00 0.00 C ATOM 0 H ALA A 15 -2.715 -10.438 6.046 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.519 -10.397 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.675 -12.478 8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.931 -11.213 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.780 -12.534 6.617 1.00 0.00 H new ATOM 221 N ARG A 16 -1.155 -12.540 7.857 1.00 0.00 N ATOM 222 CA ARG A 16 -0.083 -13.422 8.287 1.00 0.00 C ATOM 223 C ARG A 16 0.920 -12.634 9.119 1.00 0.00 C ATOM 224 O ARG A 16 1.294 -13.080 10.207 1.00 0.00 O ATOM 225 CB ARG A 16 0.548 -14.053 7.043 1.00 0.00 C ATOM 226 CG ARG A 16 -0.417 -15.046 6.379 1.00 0.00 C ATOM 227 CD ARG A 16 0.080 -15.421 4.986 1.00 0.00 C ATOM 228 NE ARG A 16 -0.607 -16.638 4.542 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.046 -17.841 4.413 1.00 0.00 C ATOM 230 NH1 ARG A 16 1.276 -17.969 4.372 1.00 0.00 N ATOM 231 NH2 ARG A 16 -0.817 -18.915 4.346 1.00 0.00 N ATOM 0 H ARG A 16 -1.182 -12.415 6.845 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.459 -14.225 8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.818 -13.272 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.470 -14.565 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.506 -15.942 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.412 -14.606 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.110 -14.606 4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.158 -15.583 5.002 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.598 -16.558 4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.871 -17.143 4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.696 -18.893 4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.831 -18.818 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.397 -19.839 4.247 1.00 0.00 H new ATOM 245 N GLY A 17 1.348 -11.462 8.648 1.00 0.00 N ATOM 246 CA GLY A 17 2.293 -10.625 9.373 1.00 0.00 C ATOM 247 C GLY A 17 2.924 -9.487 8.577 1.00 0.00 C ATOM 248 O GLY A 17 3.791 -8.804 9.123 1.00 0.00 O ATOM 0 H GLY A 17 1.048 -11.071 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.782 -10.199 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.091 -11.260 9.756 1.00 0.00 H new ATOM 252 N ALA A 18 2.562 -9.284 7.310 1.00 0.00 N ATOM 253 CA ALA A 18 3.107 -8.210 6.488 1.00 0.00 C ATOM 254 C ALA A 18 2.511 -6.851 6.894 1.00 0.00 C ATOM 255 O ALA A 18 1.712 -6.737 7.827 1.00 0.00 O ATOM 256 CB ALA A 18 2.860 -8.517 5.001 1.00 0.00 C ATOM 0 H ALA A 18 1.878 -9.865 6.825 1.00 0.00 H new ATOM 0 HA ALA A 18 4.183 -8.148 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.269 -7.712 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.347 -9.456 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.788 -8.601 4.820 1.00 0.00 H new ATOM 262 N LYS A 19 2.888 -5.795 6.173 1.00 0.00 N ATOM 263 CA LYS A 19 2.432 -4.419 6.376 1.00 0.00 C ATOM 264 C LYS A 19 1.907 -3.849 5.064 1.00 0.00 C ATOM 265 O LYS A 19 2.249 -4.369 4.001 1.00 0.00 O ATOM 266 CB LYS A 19 3.588 -3.571 6.934 1.00 0.00 C ATOM 267 CG LYS A 19 3.534 -3.376 8.463 1.00 0.00 C ATOM 268 CD LYS A 19 2.291 -2.597 8.911 1.00 0.00 C ATOM 269 CE LYS A 19 2.262 -2.279 10.408 1.00 0.00 C ATOM 270 NZ LYS A 19 1.009 -1.575 10.757 1.00 0.00 N ATOM 0 H LYS A 19 3.547 -5.878 5.399 1.00 0.00 H new ATOM 0 HA LYS A 19 1.617 -4.402 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.534 -4.044 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.575 -2.594 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.544 -4.351 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.429 -2.846 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.238 -1.664 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.402 -3.173 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.342 -3.201 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.120 -1.662 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.092 -1.172 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.838 -0.811 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.215 -2.246 10.732 1.00 0.00 H new ATOM 284 N LEU A 20 1.152 -2.745 5.112 1.00 0.00 N ATOM 285 CA LEU A 20 0.583 -2.135 3.916 1.00 0.00 C ATOM 286 C LEU A 20 0.851 -0.638 3.859 1.00 0.00 C ATOM 287 O LEU A 20 0.368 0.140 4.689 1.00 0.00 O ATOM 288 CB LEU A 20 -0.911 -2.458 3.864 1.00 0.00 C ATOM 289 CG LEU A 20 -1.585 -2.019 2.558 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.916 -2.609 1.315 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.057 -2.440 2.573 1.00 0.00 C ATOM 0 H LEU A 20 0.922 -2.256 5.977 1.00 0.00 H new ATOM 0 HA LEU A 20 1.067 -2.553 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.047 -3.532 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.410 -1.972 4.703 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.488 -0.935 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.437 -2.263 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.125 -2.288 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.959 -3.697 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.534 -2.127 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.125 -3.524 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.562 -1.969 3.417 1.00 0.00 H new ATOM 303 N ILE A 21 1.643 -0.230 2.872 1.00 0.00 N ATOM 304 CA ILE A 21 2.034 1.146 2.647 1.00 0.00 C ATOM 305 C ILE A 21 1.344 1.640 1.378 1.00 0.00 C ATOM 306 O ILE A 21 1.320 0.965 0.347 1.00 0.00 O ATOM 307 CB ILE A 21 3.581 1.205 2.543 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.351 1.143 3.882 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.065 2.480 1.831 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.890 0.060 4.861 1.00 0.00 C ATOM 0 H ILE A 21 2.040 -0.874 2.188 1.00 0.00 H new ATOM 0 HA ILE A 21 1.730 1.796 3.467 1.00 0.00 H new ATOM 0 HB ILE A 21 3.803 0.301 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.408 0.986 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.267 2.112 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.154 2.478 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.656 2.510 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.729 3.356 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.496 0.105 5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.843 0.223 5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.002 -0.920 4.398 1.00 0.00 H new ATOM 322 N ASP A 22 0.846 2.873 1.424 1.00 0.00 N ATOM 323 CA ASP A 22 0.183 3.512 0.288 1.00 0.00 C ATOM 324 C ASP A 22 1.068 4.686 -0.122 1.00 0.00 C ATOM 325 O ASP A 22 1.040 5.757 0.489 1.00 0.00 O ATOM 326 CB ASP A 22 -1.264 3.879 0.619 1.00 0.00 C ATOM 327 CG ASP A 22 -2.209 3.438 -0.497 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.320 2.970 -0.183 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.872 3.574 -1.692 1.00 0.00 O ATOM 0 H ASP A 22 0.891 3.462 2.256 1.00 0.00 H new ATOM 0 HA ASP A 22 0.081 2.839 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.557 3.407 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.346 4.956 0.765 1.00 0.00 H new ATOM 334 N ILE A 23 1.906 4.446 -1.133 1.00 0.00 N ATOM 335 CA ILE A 23 2.895 5.370 -1.690 1.00 0.00 C ATOM 336 C ILE A 23 2.372 6.486 -2.607 1.00 0.00 C ATOM 337 O ILE A 23 3.171 7.298 -3.074 1.00 0.00 O ATOM 338 CB ILE A 23 3.987 4.552 -2.407 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.430 3.754 -3.599 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.687 3.584 -1.441 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.555 3.185 -4.457 1.00 0.00 C ATOM 0 H ILE A 23 1.912 3.546 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 23 3.283 5.919 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 23 4.709 5.278 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.801 2.942 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.796 4.399 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.451 3.023 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.153 4.149 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.955 2.892 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.130 2.627 -5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.168 4.001 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.173 2.521 -3.853 1.00 0.00 H new ATOM 353 N ARG A 24 1.073 6.549 -2.891 1.00 0.00 N ATOM 354 CA ARG A 24 0.457 7.555 -3.769 1.00 0.00 C ATOM 355 C ARG A 24 0.563 8.999 -3.264 1.00 0.00 C ATOM 356 O ARG A 24 1.599 9.640 -3.420 1.00 0.00 O ATOM 357 CB ARG A 24 -0.991 7.158 -4.107 1.00 0.00 C ATOM 358 CG ARG A 24 -1.735 6.545 -2.933 1.00 0.00 C ATOM 359 CD ARG A 24 -3.229 6.509 -3.244 1.00 0.00 C ATOM 360 NE ARG A 24 -3.810 5.316 -2.651 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.072 5.151 -2.249 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.021 5.987 -2.647 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.388 4.152 -1.444 1.00 0.00 N ATOM 0 H ARG A 24 0.398 5.887 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 24 1.045 7.556 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.532 8.040 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.982 6.448 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.368 5.537 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.554 7.127 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.717 7.401 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.389 6.509 -4.322 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.186 4.519 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.789 6.764 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.983 5.853 -2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.667 3.504 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.353 4.029 -1.139 1.00 0.00 H new ATOM 377 N ASP A 25 -0.508 9.530 -2.683 1.00 0.00 N ATOM 378 CA ASP A 25 -0.610 10.893 -2.171 1.00 0.00 C ATOM 379 C ASP A 25 -1.459 10.833 -0.900 1.00 0.00 C ATOM 380 O ASP A 25 -2.439 10.082 -0.865 1.00 0.00 O ATOM 381 CB ASP A 25 -1.265 11.785 -3.246 1.00 0.00 C ATOM 382 CG ASP A 25 -0.368 12.003 -4.477 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.506 12.909 -4.427 1.00 0.00 O ATOM 384 OD2 ASP A 25 -0.535 11.317 -5.510 1.00 0.00 O ATOM 0 H ASP A 25 -1.368 8.998 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 25 0.367 11.317 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.204 11.331 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.511 12.752 -2.807 1.00 0.00 H new ATOM 389 N ALA A 26 -1.090 11.593 0.139 1.00 0.00 N ATOM 390 CA ALA A 26 -1.797 11.624 1.424 1.00 0.00 C ATOM 391 C ALA A 26 -3.169 12.293 1.345 1.00 0.00 C ATOM 392 O ALA A 26 -4.011 12.068 2.216 1.00 0.00 O ATOM 393 CB ALA A 26 -0.950 12.348 2.473 1.00 0.00 C ATOM 0 H ALA A 26 -0.280 12.212 0.109 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.958 10.584 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.484 12.365 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.002 11.825 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.760 13.370 2.145 1.00 0.00 H new ATOM 399 N ASP A 27 -3.401 13.105 0.316 1.00 0.00 N ATOM 400 CA ASP A 27 -4.677 13.790 0.131 1.00 0.00 C ATOM 401 C ASP A 27 -5.784 12.791 -0.181 1.00 0.00 C ATOM 402 O ASP A 27 -6.930 13.027 0.191 1.00 0.00 O ATOM 403 CB ASP A 27 -4.581 14.888 -0.921 1.00 0.00 C ATOM 404 CG ASP A 27 -4.645 16.262 -0.266 1.00 0.00 C ATOM 405 OD1 ASP A 27 -5.770 16.822 -0.144 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.593 16.783 0.161 1.00 0.00 O ATOM 0 H ASP A 27 -2.713 13.306 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.934 14.283 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.649 14.787 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.394 14.783 -1.640 1.00 0.00 H new ATOM 411 N GLU A 28 -5.469 11.667 -0.837 1.00 0.00 N ATOM 412 CA GLU A 28 -6.504 10.687 -1.136 1.00 0.00 C ATOM 413 C GLU A 28 -6.944 9.966 0.138 1.00 0.00 C ATOM 414 O GLU A 28 -8.111 9.583 0.225 1.00 0.00 O ATOM 415 CB GLU A 28 -6.041 9.654 -2.173 1.00 0.00 C ATOM 416 CG GLU A 28 -6.096 10.212 -3.605 1.00 0.00 C ATOM 417 CD GLU A 28 -6.433 9.177 -4.687 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.481 9.574 -5.871 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.673 7.979 -4.392 1.00 0.00 O ATOM 0 H GLU A 28 -4.533 11.423 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.346 11.235 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.022 9.342 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.669 8.766 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.839 11.009 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.132 10.663 -3.841 1.00 0.00 H new ATOM 426 N TYR A 29 -6.020 9.758 1.090 1.00 0.00 N ATOM 427 CA TYR A 29 -6.270 9.089 2.366 1.00 0.00 C ATOM 428 C TYR A 29 -7.368 9.812 3.159 1.00 0.00 C ATOM 429 O TYR A 29 -8.210 9.155 3.770 1.00 0.00 O ATOM 430 CB TYR A 29 -4.950 8.942 3.162 1.00 0.00 C ATOM 431 CG TYR A 29 -5.137 9.013 4.667 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.091 10.252 5.334 1.00 0.00 C ATOM 433 CD2 TYR A 29 -5.344 7.840 5.405 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.266 10.315 6.727 1.00 0.00 C ATOM 435 CE2 TYR A 29 -5.557 7.893 6.789 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.518 9.130 7.461 1.00 0.00 C ATOM 437 OH TYR A 29 -5.737 9.162 8.801 1.00 0.00 O ATOM 0 H TYR A 29 -5.052 10.062 0.985 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.642 8.082 2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.485 7.990 2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.260 9.727 2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.920 11.159 4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.339 6.885 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.208 11.265 7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.751 6.985 7.340 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.893 8.252 9.129 1.00 0.00 H new ATOM 447 N LEU A 30 -7.386 11.152 3.123 1.00 0.00 N ATOM 448 CA LEU A 30 -8.368 11.978 3.831 1.00 0.00 C ATOM 449 C LEU A 30 -9.807 11.588 3.463 1.00 0.00 C ATOM 450 O LEU A 30 -10.693 11.570 4.321 1.00 0.00 O ATOM 451 CB LEU A 30 -8.096 13.468 3.528 1.00 0.00 C ATOM 452 CG LEU A 30 -6.997 14.089 4.409 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.474 15.386 3.780 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.504 14.400 5.822 1.00 0.00 C ATOM 0 H LEU A 30 -6.707 11.698 2.592 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.262 11.807 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.811 13.570 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.019 14.031 3.663 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.195 13.354 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.698 15.812 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.059 15.171 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.293 16.098 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.697 14.837 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.333 15.105 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.843 13.480 6.298 1.00 0.00 H new ATOM 466 N ARG A 31 -10.047 11.273 2.189 1.00 0.00 N ATOM 467 CA ARG A 31 -11.358 10.887 1.681 1.00 0.00 C ATOM 468 C ARG A 31 -11.730 9.476 2.097 1.00 0.00 C ATOM 469 O ARG A 31 -12.780 9.253 2.704 1.00 0.00 O ATOM 470 CB ARG A 31 -11.364 10.993 0.161 1.00 0.00 C ATOM 471 CG ARG A 31 -11.344 12.460 -0.258 1.00 0.00 C ATOM 472 CD ARG A 31 -11.504 12.502 -1.770 1.00 0.00 C ATOM 473 NE ARG A 31 -11.939 13.813 -2.267 1.00 0.00 N ATOM 474 CZ ARG A 31 -12.298 14.056 -3.530 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.184 13.116 -4.459 1.00 0.00 N ATOM 476 NH2 ARG A 31 -12.797 15.233 -3.861 1.00 0.00 N ATOM 0 H ARG A 31 -9.322 11.280 1.472 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.098 11.565 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.497 10.476 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.250 10.503 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.150 13.009 0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.409 12.933 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.555 12.240 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.228 11.746 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.969 14.588 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.819 12.196 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.461 13.313 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.908 15.957 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.071 15.418 -4.826 1.00 0.00 H new ATOM 490 N GLU A 32 -10.916 8.514 1.683 1.00 0.00 N ATOM 491 CA GLU A 32 -11.081 7.088 1.944 1.00 0.00 C ATOM 492 C GLU A 32 -9.719 6.400 1.889 1.00 0.00 C ATOM 493 O GLU A 32 -8.845 6.819 1.133 1.00 0.00 O ATOM 494 CB GLU A 32 -12.060 6.457 0.933 1.00 0.00 C ATOM 495 CG GLU A 32 -11.850 6.794 -0.565 1.00 0.00 C ATOM 496 CD GLU A 32 -13.144 7.058 -1.355 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.121 7.774 -2.386 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.216 6.529 -0.980 1.00 0.00 O ATOM 0 H GLU A 32 -10.083 8.715 1.130 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.504 6.953 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.009 5.374 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.070 6.759 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.210 7.673 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.315 5.970 -1.037 1.00 0.00 H new ATOM 505 N HIS A 33 -9.538 5.316 2.648 1.00 0.00 N ATOM 506 CA HIS A 33 -8.289 4.555 2.717 1.00 0.00 C ATOM 507 C HIS A 33 -8.577 3.103 3.118 1.00 0.00 C ATOM 508 O HIS A 33 -9.735 2.687 3.078 1.00 0.00 O ATOM 509 CB HIS A 33 -7.381 5.241 3.750 1.00 0.00 C ATOM 510 CG HIS A 33 -5.936 4.837 3.649 1.00 0.00 C ATOM 511 ND1 HIS A 33 -5.126 5.069 2.564 1.00 0.00 N ATOM 512 CD2 HIS A 33 -5.162 4.316 4.654 1.00 0.00 C ATOM 513 CE1 HIS A 33 -3.884 4.705 2.913 1.00 0.00 C ATOM 514 NE2 HIS A 33 -3.855 4.249 4.173 1.00 0.00 N ATOM 0 H HIS A 33 -10.272 4.935 3.245 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.796 4.534 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.456 6.321 3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.745 5.009 4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.501 4.014 5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.022 4.770 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.035 3.917 4.682 1.00 0.00 H new ATOM 522 N ILE A 34 -7.551 2.317 3.449 1.00 0.00 N ATOM 523 CA ILE A 34 -7.655 0.929 3.893 1.00 0.00 C ATOM 524 C ILE A 34 -7.363 0.987 5.400 1.00 0.00 C ATOM 525 O ILE A 34 -6.436 1.692 5.798 1.00 0.00 O ATOM 526 CB ILE A 34 -6.660 0.018 3.138 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.065 -0.059 1.650 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.632 -1.396 3.755 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.051 -0.831 0.806 1.00 0.00 C ATOM 0 H ILE A 34 -6.586 2.645 3.413 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.635 0.497 3.689 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.660 0.443 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.041 -0.537 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.170 0.951 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.925 -2.018 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.325 -1.331 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.626 -1.839 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.384 -0.855 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.080 -0.339 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.965 -1.850 1.183 1.00 0.00 H new ATOM 541 N PRO A 35 -8.105 0.264 6.254 1.00 0.00 N ATOM 542 CA PRO A 35 -7.884 0.288 7.694 1.00 0.00 C ATOM 543 C PRO A 35 -6.566 -0.376 8.097 1.00 0.00 C ATOM 544 O PRO A 35 -5.895 0.086 9.016 1.00 0.00 O ATOM 545 CB PRO A 35 -9.081 -0.457 8.294 1.00 0.00 C ATOM 546 CG PRO A 35 -9.522 -1.401 7.177 1.00 0.00 C ATOM 547 CD PRO A 35 -9.217 -0.606 5.917 1.00 0.00 C ATOM 0 HA PRO A 35 -7.806 1.312 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.801 -1.005 9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.879 0.230 8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.973 -2.342 7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.581 -1.648 7.252 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.958 -1.268 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.085 -0.026 5.601 1.00 0.00 H new ATOM 555 N GLU A 36 -6.180 -1.448 7.410 1.00 0.00 N ATOM 556 CA GLU A 36 -4.963 -2.197 7.687 1.00 0.00 C ATOM 557 C GLU A 36 -3.695 -1.484 7.199 1.00 0.00 C ATOM 558 O GLU A 36 -2.599 -1.947 7.526 1.00 0.00 O ATOM 559 CB GLU A 36 -5.109 -3.616 7.109 1.00 0.00 C ATOM 560 CG GLU A 36 -6.238 -4.349 7.856 1.00 0.00 C ATOM 561 CD GLU A 36 -6.609 -5.698 7.257 1.00 0.00 C ATOM 562 OE1 GLU A 36 -7.002 -5.750 6.072 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.643 -6.705 8.000 1.00 0.00 O ATOM 0 H GLU A 36 -6.717 -1.826 6.630 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.835 -2.267 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.333 -3.567 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.172 -4.163 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.937 -4.495 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.123 -3.713 7.868 1.00 0.00 H new ATOM 570 N ALA A 37 -3.805 -0.414 6.399 1.00 0.00 N ATOM 571 CA ALA A 37 -2.643 0.328 5.917 1.00 0.00 C ATOM 572 C ALA A 37 -2.261 1.400 6.928 1.00 0.00 C ATOM 573 O ALA A 37 -3.043 1.740 7.820 1.00 0.00 O ATOM 574 CB ALA A 37 -2.875 0.927 4.532 1.00 0.00 C ATOM 0 H ALA A 37 -4.698 -0.044 6.072 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.814 -0.372 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.984 1.469 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.085 0.128 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.722 1.612 4.569 1.00 0.00 H new ATOM 580 N ASP A 38 -1.073 1.981 6.757 1.00 0.00 N ATOM 581 CA ASP A 38 -0.565 3.009 7.672 1.00 0.00 C ATOM 582 C ASP A 38 -0.323 4.368 7.016 1.00 0.00 C ATOM 583 O ASP A 38 -0.237 5.373 7.720 1.00 0.00 O ATOM 584 CB ASP A 38 0.723 2.493 8.294 1.00 0.00 C ATOM 585 CG ASP A 38 0.516 1.681 9.571 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.142 0.609 9.495 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.113 2.017 10.609 1.00 0.00 O ATOM 0 H ASP A 38 -0.440 1.757 5.989 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.334 3.185 8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.245 1.875 7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.372 3.340 8.516 1.00 0.00 H new ATOM 592 N LEU A 39 -0.293 4.378 5.683 1.00 0.00 N ATOM 593 CA LEU A 39 -0.087 5.465 4.713 1.00 0.00 C ATOM 594 C LEU A 39 1.354 5.973 4.772 1.00 0.00 C ATOM 595 O LEU A 39 1.988 5.876 5.826 1.00 0.00 O ATOM 596 CB LEU A 39 -1.122 6.584 4.937 1.00 0.00 C ATOM 597 CG LEU A 39 -0.829 7.930 4.238 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.099 7.856 2.731 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.640 9.046 4.887 1.00 0.00 C ATOM 0 H LEU A 39 -0.432 3.499 5.185 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.243 5.082 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.094 6.226 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.205 6.765 6.009 1.00 0.00 H new ATOM 0 HG LEU A 39 0.231 8.152 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.881 8.822 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.463 7.092 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.145 7.602 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.426 9.990 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.703 8.822 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.372 9.125 5.941 1.00 0.00 H new ATOM 611 N ALA A 40 1.869 6.463 3.638 1.00 0.00 N ATOM 612 CA ALA A 40 3.219 7.018 3.475 1.00 0.00 C ATOM 613 C ALA A 40 3.517 7.272 1.990 1.00 0.00 C ATOM 614 O ALA A 40 4.096 6.396 1.340 1.00 0.00 O ATOM 615 CB ALA A 40 4.300 6.114 4.074 1.00 0.00 C ATOM 0 H ALA A 40 1.333 6.485 2.771 1.00 0.00 H new ATOM 0 HA ALA A 40 3.242 7.961 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.279 6.570 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.117 5.985 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.275 5.142 3.582 1.00 0.00 H new ATOM 621 N PRO A 41 3.152 8.446 1.447 1.00 0.00 N ATOM 622 CA PRO A 41 3.387 8.761 0.047 1.00 0.00 C ATOM 623 C PRO A 41 4.873 8.903 -0.286 1.00 0.00 C ATOM 624 O PRO A 41 5.694 9.237 0.572 1.00 0.00 O ATOM 625 CB PRO A 41 2.640 10.070 -0.218 1.00 0.00 C ATOM 626 CG PRO A 41 2.557 10.727 1.154 1.00 0.00 C ATOM 627 CD PRO A 41 2.475 9.547 2.117 1.00 0.00 C ATOM 0 HA PRO A 41 3.030 7.950 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.175 10.698 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.649 9.888 -0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.431 11.347 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.682 11.372 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.955 9.782 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.438 9.293 2.338 1.00 0.00 H new ATOM 635 N LEU A 42 5.188 8.755 -1.575 1.00 0.00 N ATOM 636 CA LEU A 42 6.532 8.866 -2.140 1.00 0.00 C ATOM 637 C LEU A 42 7.151 10.203 -1.758 1.00 0.00 C ATOM 638 O LEU A 42 8.333 10.274 -1.445 1.00 0.00 O ATOM 639 CB LEU A 42 6.499 8.750 -3.672 1.00 0.00 C ATOM 640 CG LEU A 42 7.662 7.998 -4.356 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.937 7.789 -3.529 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.149 6.640 -4.838 1.00 0.00 C ATOM 0 H LEU A 42 4.483 8.546 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 42 7.131 8.050 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.568 8.256 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.461 9.758 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 42 7.976 8.653 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.673 7.249 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.345 8.757 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.700 7.212 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.959 6.096 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.786 6.065 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.336 6.789 -5.548 1.00 0.00 H new ATOM 654 N SER A 43 6.334 11.255 -1.727 1.00 0.00 N ATOM 655 CA SER A 43 6.736 12.601 -1.367 1.00 0.00 C ATOM 656 C SER A 43 7.457 12.592 -0.012 1.00 0.00 C ATOM 657 O SER A 43 8.453 13.288 0.168 1.00 0.00 O ATOM 658 CB SER A 43 5.486 13.495 -1.339 1.00 0.00 C ATOM 659 OG SER A 43 4.617 13.184 -2.420 1.00 0.00 O ATOM 0 H SER A 43 5.344 11.185 -1.960 1.00 0.00 H new ATOM 0 HA SER A 43 7.435 12.998 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.960 13.362 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.782 14.543 -1.394 1.00 0.00 H new ATOM 0 HG SER A 43 3.827 13.763 -2.382 1.00 0.00 H new ATOM 665 N VAL A 44 6.971 11.808 0.953 1.00 0.00 N ATOM 666 CA VAL A 44 7.565 11.712 2.289 1.00 0.00 C ATOM 667 C VAL A 44 8.757 10.744 2.291 1.00 0.00 C ATOM 668 O VAL A 44 9.722 10.944 3.032 1.00 0.00 O ATOM 669 CB VAL A 44 6.471 11.297 3.300 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.019 11.053 4.713 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.378 12.376 3.404 1.00 0.00 C ATOM 0 H VAL A 44 6.149 11.218 0.829 1.00 0.00 H new ATOM 0 HA VAL A 44 7.958 12.684 2.588 1.00 0.00 H new ATOM 0 HB VAL A 44 6.062 10.363 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.203 10.765 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.761 10.255 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.484 11.966 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.621 12.059 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.823 13.314 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.915 12.520 2.428 1.00 0.00 H new ATOM 681 N LEU A 45 8.711 9.699 1.469 1.00 0.00 N ATOM 682 CA LEU A 45 9.754 8.682 1.360 1.00 0.00 C ATOM 683 C LEU A 45 11.023 9.245 0.743 1.00 0.00 C ATOM 684 O LEU A 45 12.106 9.040 1.291 1.00 0.00 O ATOM 685 CB LEU A 45 9.182 7.481 0.602 1.00 0.00 C ATOM 686 CG LEU A 45 8.545 6.440 1.549 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.635 5.497 2.047 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.731 7.014 2.715 1.00 0.00 C ATOM 0 H LEU A 45 7.924 9.531 0.842 1.00 0.00 H new ATOM 0 HA LEU A 45 10.056 8.344 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.433 7.827 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.976 7.006 0.025 1.00 0.00 H new ATOM 0 HG LEU A 45 7.802 5.904 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.198 4.757 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.094 4.991 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.393 6.068 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.330 6.197 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.374 7.638 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.910 7.615 2.324 1.00 0.00 H new ATOM 700 N GLU A 46 10.897 9.980 -0.356 1.00 0.00 N ATOM 701 CA GLU A 46 12.032 10.615 -1.021 1.00 0.00 C ATOM 702 C GLU A 46 12.690 11.598 -0.032 1.00 0.00 C ATOM 703 O GLU A 46 13.903 11.775 -0.058 1.00 0.00 O ATOM 704 CB GLU A 46 11.583 11.345 -2.293 1.00 0.00 C ATOM 705 CG GLU A 46 11.459 10.366 -3.473 1.00 0.00 C ATOM 706 CD GLU A 46 12.640 10.373 -4.453 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.810 10.440 -4.018 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.417 10.118 -5.658 1.00 0.00 O ATOM 0 H GLU A 46 10.002 10.154 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 46 12.753 9.854 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.624 11.833 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.299 12.129 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.342 9.357 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.548 10.600 -4.024 1.00 0.00 H new ATOM 715 N GLN A 47 11.901 12.224 0.854 1.00 0.00 N ATOM 716 CA GLN A 47 12.377 13.173 1.853 1.00 0.00 C ATOM 717 C GLN A 47 13.029 12.482 3.063 1.00 0.00 C ATOM 718 O GLN A 47 14.246 12.558 3.226 1.00 0.00 O ATOM 719 CB GLN A 47 11.230 14.091 2.328 1.00 0.00 C ATOM 720 CG GLN A 47 10.864 15.198 1.331 1.00 0.00 C ATOM 721 CD GLN A 47 9.703 16.039 1.860 1.00 0.00 C ATOM 722 OE1 GLN A 47 9.893 17.127 2.402 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.480 15.566 1.746 1.00 0.00 N ATOM 0 H GLN A 47 10.892 12.076 0.891 1.00 0.00 H new ATOM 0 HA GLN A 47 13.145 13.774 1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.347 13.482 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.513 14.549 3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.730 15.836 1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.592 14.756 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.322 14.664 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.690 16.101 2.107 1.00 0.00 H new ATOM 732 N SER A 48 12.230 11.873 3.944 1.00 0.00 N ATOM 733 CA SER A 48 12.639 11.206 5.179 1.00 0.00 C ATOM 734 C SER A 48 12.968 9.720 5.041 1.00 0.00 C ATOM 735 O SER A 48 13.924 9.268 5.674 1.00 0.00 O ATOM 736 CB SER A 48 11.498 11.422 6.193 1.00 0.00 C ATOM 737 OG SER A 48 11.509 10.535 7.297 1.00 0.00 O ATOM 0 H SER A 48 11.221 11.831 3.804 1.00 0.00 H new ATOM 0 HA SER A 48 13.582 11.647 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.551 12.445 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.545 11.321 5.673 1.00 0.00 H new ATOM 0 HG SER A 48 10.756 10.741 7.890 1.00 0.00 H new ATOM 743 N GLY A 49 12.199 8.965 4.260 1.00 0.00 N ATOM 744 CA GLY A 49 12.403 7.530 4.085 1.00 0.00 C ATOM 745 C GLY A 49 11.335 6.751 4.854 1.00 0.00 C ATOM 746 O GLY A 49 10.357 7.333 5.340 1.00 0.00 O ATOM 0 H GLY A 49 11.412 9.335 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.359 7.275 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.395 7.250 4.439 1.00 0.00 H new ATOM 750 N LEU A 50 11.453 5.423 4.897 1.00 0.00 N ATOM 751 CA LEU A 50 10.500 4.558 5.594 1.00 0.00 C ATOM 752 C LEU A 50 10.798 4.635 7.101 1.00 0.00 C ATOM 753 O LEU A 50 11.966 4.547 7.480 1.00 0.00 O ATOM 754 CB LEU A 50 10.596 3.129 5.021 1.00 0.00 C ATOM 755 CG LEU A 50 9.331 2.291 5.286 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.109 1.206 4.245 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.342 1.580 6.631 1.00 0.00 C ATOM 0 H LEU A 50 12.215 4.915 4.448 1.00 0.00 H new ATOM 0 HA LEU A 50 9.470 4.882 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.770 3.185 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.458 2.625 5.458 1.00 0.00 H new ATOM 0 HG LEU A 50 8.535 3.035 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.203 0.650 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.004 1.662 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.961 0.526 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.421 1.010 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.196 0.904 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.418 2.316 7.431 1.00 0.00 H new ATOM 769 N PRO A 51 9.804 4.827 7.988 1.00 0.00 N ATOM 770 CA PRO A 51 10.047 4.921 9.424 1.00 0.00 C ATOM 771 C PRO A 51 10.411 3.565 10.030 1.00 0.00 C ATOM 772 O PRO A 51 9.841 2.540 9.661 1.00 0.00 O ATOM 773 CB PRO A 51 8.736 5.444 10.013 1.00 0.00 C ATOM 774 CG PRO A 51 7.665 4.954 9.045 1.00 0.00 C ATOM 775 CD PRO A 51 8.385 4.955 7.697 1.00 0.00 C ATOM 0 HA PRO A 51 10.891 5.575 9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.570 5.058 11.019 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.739 6.532 10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.308 3.959 9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.797 5.613 9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.041 4.130 7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.183 5.876 7.149 1.00 0.00 H new ATOM 783 N ALA A 52 11.228 3.565 11.087 1.00 0.00 N ATOM 784 CA ALA A 52 11.672 2.356 11.789 1.00 0.00 C ATOM 785 C ALA A 52 10.528 1.461 12.315 1.00 0.00 C ATOM 786 O ALA A 52 10.769 0.352 12.787 1.00 0.00 O ATOM 787 CB ALA A 52 12.600 2.761 12.932 1.00 0.00 C ATOM 0 H ALA A 52 11.607 4.423 11.487 1.00 0.00 H new ATOM 0 HA ALA A 52 12.195 1.743 11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.936 1.869 13.461 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.463 3.291 12.529 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.064 3.412 13.623 1.00 0.00 H new ATOM 793 N LYS A 53 9.286 1.942 12.291 1.00 0.00 N ATOM 794 CA LYS A 53 8.089 1.244 12.712 1.00 0.00 C ATOM 795 C LYS A 53 7.600 0.323 11.601 1.00 0.00 C ATOM 796 O LYS A 53 7.538 -0.891 11.757 1.00 0.00 O ATOM 797 CB LYS A 53 6.967 2.233 12.997 1.00 0.00 C ATOM 798 CG LYS A 53 7.252 3.076 14.228 1.00 0.00 C ATOM 799 CD LYS A 53 7.712 4.430 13.746 1.00 0.00 C ATOM 800 CE LYS A 53 7.679 5.493 14.841 1.00 0.00 C ATOM 801 NZ LYS A 53 6.298 5.833 15.239 1.00 0.00 N ATOM 0 H LYS A 53 9.085 2.884 11.957 1.00 0.00 H new ATOM 0 HA LYS A 53 8.338 0.676 13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.831 2.885 12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.032 1.690 13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.358 3.171 14.845 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.018 2.607 14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.727 4.346 13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.080 4.749 12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.229 5.135 15.711 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.187 6.391 14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.306 6.700 15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.720 5.987 14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.895 5.052 15.795 1.00 0.00 H new ATOM 815 N LEU A 54 7.249 0.928 10.461 1.00 0.00 N ATOM 816 CA LEU A 54 6.713 0.238 9.288 1.00 0.00 C ATOM 817 C LEU A 54 7.664 -0.731 8.595 1.00 0.00 C ATOM 818 O LEU A 54 7.206 -1.467 7.729 1.00 0.00 O ATOM 819 CB LEU A 54 6.158 1.249 8.260 1.00 0.00 C ATOM 820 CG LEU A 54 4.766 1.794 8.620 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.403 2.947 7.677 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.684 0.713 8.509 1.00 0.00 C ATOM 0 H LEU A 54 7.333 1.936 10.328 1.00 0.00 H new ATOM 0 HA LEU A 54 5.913 -0.383 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.854 2.083 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.109 0.770 7.282 1.00 0.00 H new ATOM 0 HG LEU A 54 4.808 2.139 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.416 3.331 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.140 3.744 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.395 2.587 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.716 1.139 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.649 0.336 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.917 -0.106 9.190 1.00 0.00 H new ATOM 834 N ARG A 55 8.945 -0.772 8.965 1.00 0.00 N ATOM 835 CA ARG A 55 9.999 -1.627 8.408 1.00 0.00 C ATOM 836 C ARG A 55 9.801 -3.128 8.682 1.00 0.00 C ATOM 837 O ARG A 55 10.778 -3.874 8.716 1.00 0.00 O ATOM 838 CB ARG A 55 11.380 -1.105 8.865 1.00 0.00 C ATOM 839 CG ARG A 55 11.713 -1.348 10.353 1.00 0.00 C ATOM 840 CD ARG A 55 12.827 -2.390 10.538 1.00 0.00 C ATOM 841 NE ARG A 55 12.891 -2.940 11.905 1.00 0.00 N ATOM 842 CZ ARG A 55 13.580 -4.043 12.224 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.389 -4.611 11.339 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.496 -4.572 13.439 1.00 0.00 N ATOM 0 H ARG A 55 9.298 -0.171 9.709 1.00 0.00 H new ATOM 0 HA ARG A 55 9.940 -1.557 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.150 -1.577 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.430 -0.034 8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.018 -0.408 10.813 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.816 -1.682 10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.672 -3.206 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.786 -1.934 10.292 1.00 0.00 H new ATOM 0 HE ARG A 55 12.384 -2.455 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.490 -4.208 10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.910 -5.451 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.901 -4.138 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.027 -5.413 13.667 1.00 0.00 H new ATOM 858 N HIS A 56 8.571 -3.564 8.948 1.00 0.00 N ATOM 859 CA HIS A 56 8.208 -4.950 9.225 1.00 0.00 C ATOM 860 C HIS A 56 8.822 -5.890 8.179 1.00 0.00 C ATOM 861 O HIS A 56 9.078 -5.500 7.041 1.00 0.00 O ATOM 862 CB HIS A 56 6.674 -5.120 9.284 1.00 0.00 C ATOM 863 CG HIS A 56 6.212 -6.167 10.279 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.347 -7.534 10.170 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.572 -5.923 11.466 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.848 -8.088 11.288 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.374 -7.145 12.122 1.00 0.00 N ATOM 0 H HIS A 56 7.769 -2.935 8.977 1.00 0.00 H new ATOM 0 HA HIS A 56 8.612 -5.216 10.202 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.221 -4.163 9.542 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.309 -5.388 8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.271 -4.953 11.833 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.830 -9.149 11.490 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.957 -7.290 13.041 1.00 0.00 H new ATOM 875 N GLU A 57 8.963 -7.157 8.571 1.00 0.00 N ATOM 876 CA GLU A 57 9.524 -8.286 7.828 1.00 0.00 C ATOM 877 C GLU A 57 9.259 -8.238 6.320 1.00 0.00 C ATOM 878 O GLU A 57 10.143 -8.546 5.516 1.00 0.00 O ATOM 879 CB GLU A 57 8.917 -9.580 8.384 1.00 0.00 C ATOM 880 CG GLU A 57 9.155 -9.844 9.878 1.00 0.00 C ATOM 881 CD GLU A 57 8.328 -11.052 10.329 1.00 0.00 C ATOM 882 OE1 GLU A 57 7.629 -10.946 11.367 1.00 0.00 O ATOM 883 OE2 GLU A 57 8.371 -12.097 9.645 1.00 0.00 O ATOM 0 H GLU A 57 8.660 -7.445 9.501 1.00 0.00 H new ATOM 0 HA GLU A 57 10.605 -8.240 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.842 -9.561 8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.319 -10.420 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.214 -10.028 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.879 -8.965 10.461 1.00 0.00 H new ATOM 890 N GLN A 58 8.013 -7.951 5.945 1.00 0.00 N ATOM 891 CA GLN A 58 7.551 -7.842 4.579 1.00 0.00 C ATOM 892 C GLN A 58 6.473 -6.779 4.574 1.00 0.00 C ATOM 893 O GLN A 58 5.704 -6.676 5.535 1.00 0.00 O ATOM 894 CB GLN A 58 6.951 -9.159 4.062 1.00 0.00 C ATOM 895 CG GLN A 58 7.813 -10.415 4.244 1.00 0.00 C ATOM 896 CD GLN A 58 7.218 -11.638 3.542 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.032 -11.694 3.217 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.021 -12.649 3.261 1.00 0.00 N ATOM 0 H GLN A 58 7.271 -7.782 6.624 1.00 0.00 H new ATOM 0 HA GLN A 58 8.391 -7.595 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.998 -9.322 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.735 -9.043 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.813 -10.226 3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.921 -10.627 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.005 -12.608 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.657 -13.470 2.777 1.00 0.00 H new ATOM 907 N ILE A 59 6.409 -5.992 3.509 1.00 0.00 N ATOM 908 CA ILE A 59 5.422 -4.943 3.361 1.00 0.00 C ATOM 909 C ILE A 59 4.958 -4.951 1.905 1.00 0.00 C ATOM 910 O ILE A 59 5.678 -5.416 1.020 1.00 0.00 O ATOM 911 CB ILE A 59 5.987 -3.573 3.825 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.639 -2.808 2.654 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.960 -3.663 5.023 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.215 -1.450 3.022 1.00 0.00 C ATOM 0 H ILE A 59 7.049 -6.068 2.718 1.00 0.00 H new ATOM 0 HA ILE A 59 4.559 -5.120 4.003 1.00 0.00 H new ATOM 0 HB ILE A 59 5.122 -3.014 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.435 -3.423 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.895 -2.671 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.309 -2.664 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.445 -4.103 5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.813 -4.286 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.651 -0.988 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.422 -0.812 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.986 -1.576 3.783 1.00 0.00 H new ATOM 926 N ILE A 60 3.815 -4.340 1.622 1.00 0.00 N ATOM 927 CA ILE A 60 3.255 -4.258 0.267 1.00 0.00 C ATOM 928 C ILE A 60 2.991 -2.784 -0.043 1.00 0.00 C ATOM 929 O ILE A 60 2.628 -2.024 0.859 1.00 0.00 O ATOM 930 CB ILE A 60 1.999 -5.147 0.149 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.319 -6.633 0.440 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.362 -5.063 -1.249 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.360 -7.200 1.477 1.00 0.00 C ATOM 0 H ILE A 60 3.240 -3.881 2.329 1.00 0.00 H new ATOM 0 HA ILE A 60 3.954 -4.641 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 60 1.299 -4.767 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.249 -7.212 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.344 -6.725 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.481 -5.704 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.070 -4.033 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.083 -5.392 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.604 -8.245 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.450 -6.634 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.338 -7.128 1.105 1.00 0.00 H new ATOM 945 N PHE A 61 3.188 -2.370 -1.298 1.00 0.00 N ATOM 946 CA PHE A 61 2.960 -1.010 -1.759 1.00 0.00 C ATOM 947 C PHE A 61 1.684 -1.032 -2.608 1.00 0.00 C ATOM 948 O PHE A 61 1.455 -1.978 -3.370 1.00 0.00 O ATOM 949 CB PHE A 61 4.157 -0.469 -2.569 1.00 0.00 C ATOM 950 CG PHE A 61 5.494 -0.303 -1.855 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.564 0.313 -0.590 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.690 -0.708 -2.484 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.810 0.564 0.014 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.935 -0.421 -1.898 1.00 0.00 C ATOM 955 CZ PHE A 61 7.993 0.242 -0.665 1.00 0.00 C ATOM 0 H PHE A 61 3.519 -2.992 -2.035 1.00 0.00 H new ATOM 0 HA PHE A 61 2.848 -0.340 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.313 -1.135 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.873 0.502 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.655 0.595 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.649 -1.242 -3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.855 1.004 0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.847 -0.712 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.949 0.505 -0.238 1.00 0.00 H new ATOM 965 N HIS A 62 0.841 -0.007 -2.492 1.00 0.00 N ATOM 966 CA HIS A 62 -0.413 0.145 -3.234 1.00 0.00 C ATOM 967 C HIS A 62 -0.478 1.550 -3.840 1.00 0.00 C ATOM 968 O HIS A 62 0.415 2.378 -3.629 1.00 0.00 O ATOM 969 CB HIS A 62 -1.629 -0.122 -2.332 1.00 0.00 C ATOM 970 CG HIS A 62 -1.968 -1.566 -2.082 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.157 -2.655 -2.307 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.169 -2.030 -1.611 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.859 -3.754 -1.982 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.101 -3.423 -1.595 1.00 0.00 N ATOM 0 H HIS A 62 1.018 0.770 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.439 -0.592 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.454 0.360 -1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.498 0.362 -2.777 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.199 -2.632 -2.656 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.013 -1.428 -1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.477 -4.763 -2.026 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.850 -4.066 -1.339 1.00 0.00 H new ATOM 982 N CYS A 63 -1.500 1.799 -4.662 1.00 0.00 N ATOM 983 CA CYS A 63 -1.726 3.069 -5.324 1.00 0.00 C ATOM 984 C CYS A 63 -3.230 3.244 -5.578 1.00 0.00 C ATOM 985 O CYS A 63 -4.003 2.293 -5.452 1.00 0.00 O ATOM 986 CB CYS A 63 -0.926 3.076 -6.634 1.00 0.00 C ATOM 987 SG CYS A 63 -0.603 4.763 -7.190 1.00 0.00 S ATOM 0 H CYS A 63 -2.207 1.099 -4.886 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.393 3.902 -4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.018 2.550 -6.490 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.478 2.536 -7.403 1.00 0.00 H new ATOM 0 HG CYS A 63 0.077 4.732 -8.298 1.00 0.00 H new ATOM 993 N GLN A 64 -3.639 4.446 -5.997 1.00 0.00 N ATOM 994 CA GLN A 64 -5.036 4.781 -6.271 1.00 0.00 C ATOM 995 C GLN A 64 -5.646 3.908 -7.374 1.00 0.00 C ATOM 996 O GLN A 64 -6.796 3.489 -7.251 1.00 0.00 O ATOM 997 CB GLN A 64 -5.175 6.283 -6.603 1.00 0.00 C ATOM 998 CG GLN A 64 -4.495 6.745 -7.905 1.00 0.00 C ATOM 999 CD GLN A 64 -3.652 8.013 -7.767 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -2.441 7.962 -7.972 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -4.233 9.149 -7.438 1.00 0.00 N ATOM 0 H GLN A 64 -2.998 5.223 -6.157 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.603 4.570 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.236 6.526 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.762 6.859 -5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.859 5.940 -8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.263 6.915 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.239 9.178 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.677 10.000 -7.351 1.00 0.00 H new ATOM 1087 N SER A 70 5.425 0.973 -9.680 1.00 0.00 N ATOM 1088 CA SER A 70 6.402 0.432 -10.618 1.00 0.00 C ATOM 1089 C SER A 70 7.101 1.547 -11.413 1.00 0.00 C ATOM 1090 O SER A 70 7.623 1.336 -12.502 1.00 0.00 O ATOM 1091 CB SER A 70 5.722 -0.644 -11.465 1.00 0.00 C ATOM 1092 OG SER A 70 6.655 -1.577 -11.955 1.00 0.00 O ATOM 0 HA SER A 70 7.220 -0.055 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.970 -1.159 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.200 -0.176 -12.300 1.00 0.00 H new ATOM 0 HG SER A 70 6.191 -2.253 -12.491 1.00 0.00 H new ATOM 1098 N ASN A 71 7.106 2.765 -10.866 1.00 0.00 N ATOM 1099 CA ASN A 71 7.712 3.958 -11.466 1.00 0.00 C ATOM 1100 C ASN A 71 9.043 4.302 -10.801 1.00 0.00 C ATOM 1101 O ASN A 71 9.977 4.752 -11.461 1.00 0.00 O ATOM 1102 CB ASN A 71 6.728 5.122 -11.289 1.00 0.00 C ATOM 1103 CG ASN A 71 6.969 6.369 -12.130 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.000 7.056 -12.443 1.00 0.00 O ATOM 1105 ND2 ASN A 71 8.185 6.767 -12.437 1.00 0.00 N ATOM 0 H ASN A 71 6.674 2.955 -9.962 1.00 0.00 H new ATOM 0 HA ASN A 71 7.913 3.771 -12.521 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.726 4.754 -11.509 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.736 5.415 -10.239 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.323 7.646 -12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.989 6.196 -12.177 1.00 0.00 H new ATOM 1112 N ASN A 72 9.135 4.076 -9.490 1.00 0.00 N ATOM 1113 CA ASN A 72 10.328 4.372 -8.689 1.00 0.00 C ATOM 1114 C ASN A 72 10.799 3.101 -7.984 1.00 0.00 C ATOM 1115 O ASN A 72 11.388 3.178 -6.912 1.00 0.00 O ATOM 1116 CB ASN A 72 10.046 5.510 -7.678 1.00 0.00 C ATOM 1117 CG ASN A 72 9.708 6.877 -8.270 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.315 7.004 -9.424 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.794 7.924 -7.472 1.00 0.00 N ATOM 0 H ASN A 72 8.372 3.676 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 72 11.124 4.718 -9.348 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.219 5.201 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.921 5.622 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.532 8.849 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.122 7.809 -6.513 1.00 0.00 H new ATOM 1126 N ALA A 73 10.454 1.928 -8.521 1.00 0.00 N ATOM 1127 CA ALA A 73 10.780 0.608 -8.022 1.00 0.00 C ATOM 1128 C ALA A 73 12.246 0.471 -7.648 1.00 0.00 C ATOM 1129 O ALA A 73 12.527 -0.208 -6.671 1.00 0.00 O ATOM 1130 CB ALA A 73 10.418 -0.437 -9.081 1.00 0.00 C ATOM 0 H ALA A 73 9.900 1.883 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 73 10.200 0.448 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.662 -1.432 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.351 -0.382 -9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.983 -0.242 -9.993 1.00 0.00 H new ATOM 1136 N ASP A 74 13.149 1.133 -8.369 1.00 0.00 N ATOM 1137 CA ASP A 74 14.579 1.043 -8.091 1.00 0.00 C ATOM 1138 C ASP A 74 14.913 1.609 -6.713 1.00 0.00 C ATOM 1139 O ASP A 74 15.584 0.962 -5.911 1.00 0.00 O ATOM 1140 CB ASP A 74 15.396 1.724 -9.196 1.00 0.00 C ATOM 1141 CG ASP A 74 16.760 1.050 -9.291 1.00 0.00 C ATOM 1142 OD1 ASP A 74 17.740 1.540 -8.671 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.825 -0.001 -9.960 1.00 0.00 O ATOM 0 H ASP A 74 12.913 1.740 -9.154 1.00 0.00 H new ATOM 0 HA ASP A 74 14.854 -0.012 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.873 1.652 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.515 2.785 -8.977 1.00 0.00 H new ATOM 1148 N LYS A 75 14.442 2.827 -6.426 1.00 0.00 N ATOM 1149 CA LYS A 75 14.678 3.479 -5.140 1.00 0.00 C ATOM 1150 C LYS A 75 13.796 2.812 -4.100 1.00 0.00 C ATOM 1151 O LYS A 75 14.281 2.427 -3.048 1.00 0.00 O ATOM 1152 CB LYS A 75 14.385 4.991 -5.136 1.00 0.00 C ATOM 1153 CG LYS A 75 14.967 5.804 -6.301 1.00 0.00 C ATOM 1154 CD LYS A 75 14.134 5.659 -7.588 1.00 0.00 C ATOM 1155 CE LYS A 75 13.658 6.995 -8.185 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.755 7.928 -8.515 1.00 0.00 N ATOM 0 H LYS A 75 13.889 3.384 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 75 15.740 3.370 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.304 5.129 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.765 5.410 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.016 6.856 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.989 5.478 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.728 5.131 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.264 5.038 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.082 6.793 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.984 7.478 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.375 8.736 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.196 8.269 -7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.467 7.436 -9.092 1.00 0.00 H new ATOM 1170 N LEU A 76 12.504 2.643 -4.393 1.00 0.00 N ATOM 1171 CA LEU A 76 11.527 2.022 -3.487 1.00 0.00 C ATOM 1172 C LEU A 76 12.035 0.686 -2.949 1.00 0.00 C ATOM 1173 O LEU A 76 11.966 0.459 -1.739 1.00 0.00 O ATOM 1174 CB LEU A 76 10.178 1.798 -4.192 1.00 0.00 C ATOM 1175 CG LEU A 76 9.339 3.066 -4.410 1.00 0.00 C ATOM 1176 CD1 LEU A 76 8.137 2.732 -5.305 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.802 3.604 -3.085 1.00 0.00 C ATOM 0 H LEU A 76 12.098 2.938 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 76 11.388 2.711 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.364 1.333 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.592 1.090 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 76 9.978 3.817 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.539 3.630 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.491 2.360 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.526 1.969 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.212 4.502 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.175 2.848 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.636 3.847 -2.426 1.00 0.00 H new ATOM 1189 N ALA A 77 12.542 -0.184 -3.833 1.00 0.00 N ATOM 1190 CA ALA A 77 13.076 -1.491 -3.443 1.00 0.00 C ATOM 1191 C ALA A 77 14.241 -1.388 -2.450 1.00 0.00 C ATOM 1192 O ALA A 77 14.529 -2.372 -1.768 1.00 0.00 O ATOM 1193 CB ALA A 77 13.524 -2.270 -4.681 1.00 0.00 C ATOM 0 H ALA A 77 12.592 -0.000 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 77 12.267 -2.020 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.919 -3.240 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.673 -2.417 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.300 -1.709 -5.203 1.00 0.00 H new ATOM 1199 N ALA A 78 14.920 -0.241 -2.383 1.00 0.00 N ATOM 1200 CA ALA A 78 16.035 0.018 -1.492 1.00 0.00 C ATOM 1201 C ALA A 78 15.586 0.754 -0.228 1.00 0.00 C ATOM 1202 O ALA A 78 15.952 0.334 0.864 1.00 0.00 O ATOM 1203 CB ALA A 78 17.110 0.828 -2.222 1.00 0.00 C ATOM 0 H ALA A 78 14.693 0.559 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 78 16.451 -0.942 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.944 1.018 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.464 0.266 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.688 1.777 -2.554 1.00 0.00 H new ATOM 1209 N ILE A 79 14.775 1.812 -0.354 1.00 0.00 N ATOM 1210 CA ILE A 79 14.290 2.613 0.768 1.00 0.00 C ATOM 1211 C ILE A 79 13.654 1.717 1.830 1.00 0.00 C ATOM 1212 O ILE A 79 14.005 1.822 3.000 1.00 0.00 O ATOM 1213 CB ILE A 79 13.288 3.710 0.318 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.855 4.749 -0.670 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.797 4.486 1.553 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.750 5.551 -1.384 1.00 0.00 C ATOM 0 H ILE A 79 14.433 2.138 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 79 15.154 3.120 1.197 1.00 0.00 H new ATOM 0 HB ILE A 79 12.494 3.171 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.509 5.436 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.469 4.241 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.093 5.258 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.303 3.800 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.647 4.951 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.205 6.268 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.111 4.870 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.152 6.084 -0.645 1.00 0.00 H new ATOM 1228 N ALA A 80 12.702 0.865 1.445 1.00 0.00 N ATOM 1229 CA ALA A 80 12.027 -0.005 2.397 1.00 0.00 C ATOM 1230 C ALA A 80 12.881 -1.176 2.896 1.00 0.00 C ATOM 1231 O ALA A 80 12.556 -1.754 3.936 1.00 0.00 O ATOM 1232 CB ALA A 80 10.746 -0.516 1.745 1.00 0.00 C ATOM 0 H ALA A 80 12.385 0.762 0.481 1.00 0.00 H new ATOM 0 HA ALA A 80 11.814 0.586 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.221 -1.172 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.106 0.328 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.994 -1.071 0.840 1.00 0.00 H new ATOM 1238 N ALA A 81 13.919 -1.576 2.160 1.00 0.00 N ATOM 1239 CA ALA A 81 14.786 -2.677 2.556 1.00 0.00 C ATOM 1240 C ALA A 81 15.687 -2.263 3.733 1.00 0.00 C ATOM 1241 O ALA A 81 15.877 -1.062 3.950 1.00 0.00 O ATOM 1242 CB ALA A 81 15.614 -3.097 1.329 1.00 0.00 C ATOM 0 H ALA A 81 14.179 -1.143 1.274 1.00 0.00 H new ATOM 0 HA ALA A 81 14.191 -3.524 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.273 -3.922 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.944 -3.415 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.212 -2.252 0.987 1.00 0.00 H new ATOM 1248 N PRO A 82 16.303 -3.201 4.482 1.00 0.00 N ATOM 1249 CA PRO A 82 16.235 -4.659 4.351 1.00 0.00 C ATOM 1250 C PRO A 82 14.932 -5.191 4.967 1.00 0.00 C ATOM 1251 O PRO A 82 14.719 -5.123 6.181 1.00 0.00 O ATOM 1252 CB PRO A 82 17.487 -5.178 5.064 1.00 0.00 C ATOM 1253 CG PRO A 82 17.699 -4.151 6.166 1.00 0.00 C ATOM 1254 CD PRO A 82 17.221 -2.840 5.551 1.00 0.00 C ATOM 0 HA PRO A 82 16.218 -4.995 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.336 -6.179 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.343 -5.231 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.129 -4.403 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.747 -4.094 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.724 -2.219 6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.061 -2.263 5.164 1.00 0.00 H new ATOM 1262 N ALA A 83 14.040 -5.663 4.100 1.00 0.00 N ATOM 1263 CA ALA A 83 12.716 -6.240 4.296 1.00 0.00 C ATOM 1264 C ALA A 83 12.212 -6.581 2.888 1.00 0.00 C ATOM 1265 O ALA A 83 12.869 -6.229 1.900 1.00 0.00 O ATOM 1266 CB ALA A 83 11.753 -5.226 4.932 1.00 0.00 C ATOM 0 H ALA A 83 14.264 -5.646 3.105 1.00 0.00 H new ATOM 0 HA ALA A 83 12.765 -7.105 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.774 -5.687 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.142 -4.914 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.659 -4.356 4.282 1.00 0.00 H new ATOM 1272 N GLU A 84 11.057 -7.229 2.773 1.00 0.00 N ATOM 1273 CA GLU A 84 10.487 -7.577 1.476 1.00 0.00 C ATOM 1274 C GLU A 84 9.480 -6.507 1.047 1.00 0.00 C ATOM 1275 O GLU A 84 8.779 -5.949 1.893 1.00 0.00 O ATOM 1276 CB GLU A 84 9.854 -8.954 1.546 1.00 0.00 C ATOM 1277 CG GLU A 84 9.808 -9.669 0.191 1.00 0.00 C ATOM 1278 CD GLU A 84 9.812 -11.180 0.411 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.916 -11.710 0.697 1.00 0.00 O ATOM 1280 OE2 GLU A 84 8.759 -11.846 0.331 1.00 0.00 O ATOM 0 H GLU A 84 10.493 -7.526 3.570 1.00 0.00 H new ATOM 0 HA GLU A 84 11.274 -7.611 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.412 -9.567 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.840 -8.861 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.914 -9.373 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.665 -9.377 -0.415 1.00 0.00 H new ATOM 1287 N ILE A 85 9.384 -6.238 -0.257 1.00 0.00 N ATOM 1288 CA ILE A 85 8.478 -5.259 -0.839 1.00 0.00 C ATOM 1289 C ILE A 85 7.791 -5.875 -2.069 1.00 0.00 C ATOM 1290 O ILE A 85 8.430 -6.598 -2.839 1.00 0.00 O ATOM 1291 CB ILE A 85 9.212 -3.941 -1.167 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.691 -4.105 -1.583 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.104 -2.900 -0.048 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.722 -4.035 -0.444 1.00 0.00 C ATOM 0 H ILE A 85 9.955 -6.714 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 85 7.707 -4.999 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 85 8.677 -3.576 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.802 -5.064 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.931 -3.331 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.640 -1.996 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.055 -2.660 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.540 -3.302 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.725 -4.162 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.652 -3.066 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.521 -4.827 0.278 1.00 0.00 H new ATOM 1306 N PHE A 86 6.504 -5.567 -2.260 1.00 0.00 N ATOM 1307 CA PHE A 86 5.629 -6.033 -3.332 1.00 0.00 C ATOM 1308 C PHE A 86 4.806 -4.883 -3.922 1.00 0.00 C ATOM 1309 O PHE A 86 4.842 -3.750 -3.442 1.00 0.00 O ATOM 1310 CB PHE A 86 4.667 -7.094 -2.764 1.00 0.00 C ATOM 1311 CG PHE A 86 5.321 -8.398 -2.384 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.737 -8.631 -1.061 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.470 -9.397 -3.363 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.318 -9.869 -0.733 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.033 -10.637 -3.028 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.469 -10.865 -1.716 1.00 0.00 C ATOM 0 H PHE A 86 6.015 -4.940 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 86 6.249 -6.453 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.171 -6.682 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.891 -7.294 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.612 -7.869 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.149 -9.208 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.650 -10.056 0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.130 -11.410 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.923 -11.810 -1.458 1.00 0.00 H new ATOM 1326 N LEU A 87 4.038 -5.187 -4.965 1.00 0.00 N ATOM 1327 CA LEU A 87 3.152 -4.288 -5.688 1.00 0.00 C ATOM 1328 C LEU A 87 1.846 -5.027 -5.928 1.00 0.00 C ATOM 1329 O LEU A 87 1.839 -6.255 -5.975 1.00 0.00 O ATOM 1330 CB LEU A 87 3.753 -3.924 -7.057 1.00 0.00 C ATOM 1331 CG LEU A 87 5.031 -3.086 -6.982 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.702 -3.037 -8.359 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.704 -1.668 -6.515 1.00 0.00 C ATOM 0 H LEU A 87 4.019 -6.131 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 87 3.005 -3.376 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.967 -4.843 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.007 -3.377 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 87 5.713 -3.545 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.611 -2.439 -8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.953 -4.049 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.019 -2.588 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.621 -1.081 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.013 -1.203 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.244 -1.707 -5.527 1.00 0.00 H new ATOM 1345 N LEU A 88 0.755 -4.276 -6.070 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.571 -4.811 -6.336 1.00 0.00 C ATOM 1347 C LEU A 88 -0.793 -4.700 -7.847 1.00 0.00 C ATOM 1348 O LEU A 88 -0.415 -3.686 -8.435 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.588 -3.993 -5.530 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.036 -4.515 -5.622 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.326 -5.620 -4.596 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.989 -3.359 -5.329 1.00 0.00 C ATOM 0 H LEU A 88 0.773 -3.258 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.682 -5.854 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.283 -3.985 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.563 -2.960 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.173 -4.924 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.358 -5.953 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.654 -6.461 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.172 -5.231 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.019 -3.712 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.796 -2.973 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.834 -2.565 -6.060 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.390 -5.697 -8.506 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.641 -5.688 -9.938 1.00 0.00 C ATOM 1366 C GLU A 89 -2.854 -4.828 -10.319 1.00 0.00 C ATOM 1367 O GLU A 89 -3.324 -4.918 -11.450 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.783 -7.138 -10.436 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.930 -7.986 -9.866 1.00 0.00 C ATOM 1370 CD GLU A 89 -3.032 -9.356 -10.550 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -4.150 -9.768 -10.926 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.008 -10.067 -10.697 1.00 0.00 O ATOM 0 H GLU A 89 -1.716 -6.546 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.789 -5.223 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.895 -7.110 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.848 -7.657 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.779 -8.126 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.871 -7.450 -9.987 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.391 -4.031 -9.396 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.547 -3.163 -9.582 1.00 0.00 C ATOM 1381 C ASP A 90 -4.404 -1.971 -8.622 1.00 0.00 C ATOM 1382 O ASP A 90 -3.287 -1.608 -8.249 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.821 -4.008 -9.367 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.229 -4.763 -10.631 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.537 -5.973 -10.528 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -6.320 -4.109 -11.700 1.00 0.00 O ATOM 0 H ASP A 90 -3.010 -3.972 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.616 -2.748 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.652 -4.720 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.638 -3.358 -9.054 1.00 0.00 H new ATOM 1391 N GLY A 91 -5.496 -1.300 -8.251 1.00 0.00 N ATOM 1392 CA GLY A 91 -5.519 -0.166 -7.334 1.00 0.00 C ATOM 1393 C GLY A 91 -6.414 -0.461 -6.134 1.00 0.00 C ATOM 1394 O GLY A 91 -6.944 -1.567 -5.999 1.00 0.00 O ATOM 0 H GLY A 91 -6.424 -1.544 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.507 0.054 -6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.880 0.721 -7.854 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.614 0.546 -5.279 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.449 0.437 -4.077 1.00 0.00 C ATOM 1400 C ILE A 92 -8.893 0.065 -4.431 1.00 0.00 C ATOM 1401 O ILE A 92 -9.612 -0.539 -3.638 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.272 1.699 -3.214 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.658 1.448 -1.738 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.910 2.957 -3.822 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.081 1.812 -1.316 1.00 0.00 C ATOM 0 H ILE A 92 -6.197 1.469 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.120 -0.394 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.205 1.922 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.502 0.391 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.966 2.007 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.745 3.806 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.458 3.162 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.981 2.798 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.216 1.585 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.249 2.876 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.794 1.235 -1.905 1.00 0.00 H new ATOM 1417 N ASP A 93 -9.316 0.396 -5.649 1.00 0.00 N ATOM 1418 CA ASP A 93 -10.646 0.070 -6.163 1.00 0.00 C ATOM 1419 C ASP A 93 -10.855 -1.458 -6.092 1.00 0.00 C ATOM 1420 O ASP A 93 -11.929 -1.932 -5.722 1.00 0.00 O ATOM 1421 CB ASP A 93 -10.753 0.603 -7.600 1.00 0.00 C ATOM 1422 CG ASP A 93 -11.831 -0.101 -8.424 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -13.026 0.232 -8.305 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.472 -0.967 -9.259 1.00 0.00 O ATOM 0 H ASP A 93 -8.737 0.905 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.429 0.537 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.968 1.671 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.790 0.485 -8.097 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.813 -2.241 -6.389 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.848 -3.696 -6.355 1.00 0.00 C ATOM 1431 C GLY A 94 -9.986 -4.240 -4.933 1.00 0.00 C ATOM 1432 O GLY A 94 -10.506 -5.341 -4.760 1.00 0.00 O ATOM 0 H GLY A 94 -8.905 -1.867 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.682 -4.051 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.937 -4.090 -6.805 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.550 -3.489 -3.912 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.648 -3.890 -2.508 1.00 0.00 C ATOM 1438 C TRP A 95 -11.133 -4.036 -2.168 1.00 0.00 C ATOM 1439 O TRP A 95 -11.582 -5.059 -1.651 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.959 -2.846 -1.614 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.659 -3.279 -0.214 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.479 -3.113 0.844 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.463 -3.934 0.313 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.875 -3.600 1.981 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.650 -4.161 1.707 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.231 -4.349 -0.234 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.698 -4.816 2.498 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.251 -4.978 0.558 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.488 -5.227 1.920 1.00 0.00 C ATOM 0 H TRP A 95 -9.115 -2.576 -4.043 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.143 -4.841 -2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.024 -2.549 -2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.591 -1.959 -1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.461 -2.666 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.286 -3.551 2.913 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.035 -4.181 -1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.894 -5.003 3.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.311 -5.271 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.744 -5.732 2.518 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.907 -3.004 -2.509 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.344 -2.960 -2.280 1.00 0.00 C ATOM 1462 C LYS A 96 -14.036 -4.032 -3.098 1.00 0.00 C ATOM 1463 O LYS A 96 -14.863 -4.757 -2.547 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.882 -1.578 -2.643 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.452 -0.563 -1.582 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.748 0.863 -2.028 1.00 0.00 C ATOM 1467 CE LYS A 96 -12.749 1.290 -3.107 1.00 0.00 C ATOM 1468 NZ LYS A 96 -12.988 2.684 -3.505 1.00 0.00 N ATOM 0 H LYS A 96 -11.543 -2.164 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.545 -3.149 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.508 -1.277 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.969 -1.607 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.972 -0.769 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.386 -0.670 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.765 0.928 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.687 1.540 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.731 1.182 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.840 0.637 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.302 2.958 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.953 2.777 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.878 3.305 -2.678 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.697 -4.172 -4.384 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.316 -5.188 -5.236 1.00 0.00 C ATOM 1484 C LYS A 97 -14.049 -6.586 -4.658 1.00 0.00 C ATOM 1485 O LYS A 97 -14.916 -7.454 -4.730 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.851 -4.985 -6.692 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.913 -5.387 -7.735 1.00 0.00 C ATOM 1488 CD LYS A 97 -15.057 -6.890 -8.018 1.00 0.00 C ATOM 1489 CE LYS A 97 -13.757 -7.560 -8.477 1.00 0.00 C ATOM 1490 NZ LYS A 97 -13.317 -7.083 -9.804 1.00 0.00 N ATOM 0 H LYS A 97 -12.999 -3.596 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.401 -5.086 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.587 -3.938 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.946 -5.569 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.879 -5.008 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.679 -4.884 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.413 -7.388 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.819 -7.035 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.973 -7.365 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.900 -8.640 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.435 -7.565 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.052 -7.292 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.154 -6.057 -9.767 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.888 -6.811 -4.029 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.540 -8.090 -3.413 1.00 0.00 C ATOM 1506 C ALA A 98 -13.404 -8.381 -2.176 1.00 0.00 C ATOM 1507 O ALA A 98 -13.409 -9.511 -1.685 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.079 -8.073 -2.957 1.00 0.00 C ATOM 0 H ALA A 98 -12.161 -6.102 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.710 -8.860 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.830 -9.030 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.431 -7.902 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.934 -7.274 -2.229 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.112 -7.380 -1.654 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.976 -7.458 -0.483 1.00 0.00 C ATOM 1516 C GLY A 99 -14.228 -7.118 0.806 1.00 0.00 C ATOM 1517 O GLY A 99 -14.777 -7.298 1.894 1.00 0.00 O ATOM 0 H GLY A 99 -14.095 -6.445 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.815 -6.774 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.392 -8.462 -0.406 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.961 -6.698 0.712 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.159 -6.338 1.875 1.00 0.00 C ATOM 1523 C LEU A 100 -12.656 -4.981 2.395 1.00 0.00 C ATOM 1524 O LEU A 100 -13.160 -4.177 1.605 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.674 -6.277 1.508 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.082 -7.602 1.003 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.711 -7.342 0.376 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.989 -8.618 2.146 1.00 0.00 C ATOM 0 H LEU A 100 -12.468 -6.600 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.266 -7.092 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.535 -5.516 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.111 -5.953 2.383 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.737 -8.025 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.291 -8.282 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.818 -6.650 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.046 -6.908 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.568 -9.551 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.348 -8.222 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.985 -8.806 2.548 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.516 -4.694 3.696 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.987 -3.453 4.288 1.00 0.00 C ATOM 1542 C PRO A 101 -12.121 -2.256 3.901 1.00 0.00 C ATOM 1543 O PRO A 101 -10.965 -2.388 3.503 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.994 -3.714 5.798 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.895 -4.757 5.994 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.918 -5.562 4.692 1.00 0.00 C ATOM 0 HA PRO A 101 -13.979 -3.184 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.787 -2.804 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.962 -4.085 6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.924 -4.289 6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.094 -5.390 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.911 -5.857 4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.497 -6.478 4.810 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.685 -1.061 4.036 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.042 0.207 3.740 1.00 0.00 C ATOM 1556 C VAL A 102 -12.521 1.227 4.767 1.00 0.00 C ATOM 1557 O VAL A 102 -13.577 1.083 5.378 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.352 0.718 2.319 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.349 0.271 1.261 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.765 0.377 1.855 1.00 0.00 C ATOM 0 H VAL A 102 -13.643 -0.948 4.369 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.963 0.064 3.790 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.266 1.800 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.640 0.673 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.356 0.638 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.332 -0.818 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.921 0.764 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.896 -0.705 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.489 0.828 2.533 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.733 2.280 4.926 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.952 3.403 5.815 1.00 0.00 C ATOM 1572 C ALA A 103 -12.801 4.440 5.064 1.00 0.00 C ATOM 1573 O ALA A 103 -12.374 5.578 4.851 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.580 3.930 6.264 1.00 0.00 C ATOM 0 H ALA A 103 -10.865 2.375 4.399 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.499 3.132 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.718 4.778 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.039 3.139 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.009 4.247 5.392 1.00 0.00 H new