USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 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 33 HIS : no HE2:sc= -1.9 K(o=-2.3,f=-8.4!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -0.41 K(o=-2.3,f=-6.4!) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0 X(o=-0.49,f=-0.55) USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= -0.493 F(o=-1.9!,f=-0.49) 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 USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0047 (180deg=-0.0905) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.052) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -17:sc= 0.123 USER MOD Single : A 71 ASN : amide:sc=-0.00436 X(o=-0.0044,f=-0.18) USER MOD Single : A 72 ASN : amide:sc= -0.522 K(o=-0.52,f=-4.8!) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.55! (180deg=-1.04) 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 9.918 -6.053 -5.519 1.00 0.00 N ATOM 12 CA LEU A 2 8.625 -5.751 -6.139 1.00 0.00 C ATOM 13 C LEU A 2 8.288 -6.818 -7.182 1.00 0.00 C ATOM 14 O LEU A 2 8.823 -6.806 -8.288 1.00 0.00 O ATOM 15 CB LEU A 2 8.580 -4.318 -6.706 1.00 0.00 C ATOM 16 CG LEU A 2 8.920 -3.180 -5.717 1.00 0.00 C ATOM 17 CD1 LEU A 2 8.333 -1.830 -6.139 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.412 -3.403 -4.295 1.00 0.00 C ATOM 0 HA LEU A 2 7.851 -5.783 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.273 -4.260 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.581 -4.139 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 2 10.010 -3.179 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.605 -1.070 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.729 -1.551 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.247 -1.907 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.696 -2.556 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.326 -3.498 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.851 -4.315 -3.891 1.00 0.00 H new ATOM 30 N THR A 3 7.356 -7.701 -6.828 1.00 0.00 N ATOM 31 CA THR A 3 6.916 -8.837 -7.634 1.00 0.00 C ATOM 32 C THR A 3 5.475 -8.786 -8.120 1.00 0.00 C ATOM 33 O THR A 3 5.187 -9.309 -9.195 1.00 0.00 O ATOM 34 CB THR A 3 7.216 -10.064 -6.752 1.00 0.00 C ATOM 35 OG1 THR A 3 8.612 -10.229 -6.606 1.00 0.00 O ATOM 36 CG2 THR A 3 6.550 -11.352 -7.196 1.00 0.00 C ATOM 0 H THR A 3 6.867 -7.641 -5.935 1.00 0.00 H new ATOM 0 HA THR A 3 7.449 -8.854 -8.585 1.00 0.00 H new ATOM 0 HB THR A 3 6.766 -9.848 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.792 -11.010 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.822 -12.157 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.468 -11.222 -7.192 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.881 -11.604 -8.203 1.00 0.00 H new ATOM 44 N THR A 4 4.608 -8.121 -7.368 1.00 0.00 N ATOM 45 CA THR A 4 3.195 -7.959 -7.667 1.00 0.00 C ATOM 46 C THR A 4 2.467 -9.267 -7.364 1.00 0.00 C ATOM 47 O THR A 4 2.479 -10.178 -8.194 1.00 0.00 O ATOM 48 CB THR A 4 2.949 -7.468 -9.107 1.00 0.00 C ATOM 49 OG1 THR A 4 3.834 -6.427 -9.481 1.00 0.00 O ATOM 50 CG2 THR A 4 1.539 -6.930 -9.244 1.00 0.00 C ATOM 0 H THR A 4 4.883 -7.662 -6.499 1.00 0.00 H new ATOM 0 HA THR A 4 2.790 -7.175 -7.027 1.00 0.00 H new ATOM 0 HB THR A 4 3.112 -8.329 -9.755 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.642 -6.149 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.378 -6.586 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.824 -7.719 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.399 -6.097 -8.555 1.00 0.00 H new ATOM 58 N ILE A 5 1.976 -9.436 -6.135 1.00 0.00 N ATOM 59 CA ILE A 5 1.237 -10.650 -5.784 1.00 0.00 C ATOM 60 C ILE A 5 -0.198 -10.497 -6.305 1.00 0.00 C ATOM 61 O ILE A 5 -0.570 -9.421 -6.783 1.00 0.00 O ATOM 62 CB ILE A 5 1.334 -11.025 -4.285 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.538 -10.161 -3.282 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.807 -11.152 -3.864 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.824 -8.665 -3.308 1.00 0.00 C ATOM 0 H ILE A 5 2.074 -8.760 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 5 1.697 -11.510 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 5 0.825 -11.987 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.525 -10.310 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.739 -10.531 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.862 -11.416 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.289 -11.928 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.315 -10.202 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.207 -8.164 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.877 -8.492 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.593 -8.268 -4.296 1.00 0.00 H new ATOM 77 N SER A 6 -0.991 -11.568 -6.239 1.00 0.00 N ATOM 78 CA SER A 6 -2.376 -11.527 -6.693 1.00 0.00 C ATOM 79 C SER A 6 -3.161 -10.443 -5.931 1.00 0.00 C ATOM 80 O SER A 6 -2.802 -10.113 -4.797 1.00 0.00 O ATOM 81 CB SER A 6 -3.013 -12.909 -6.530 1.00 0.00 C ATOM 82 OG SER A 6 -2.261 -13.899 -7.206 1.00 0.00 O ATOM 0 H SER A 6 -0.695 -12.473 -5.875 1.00 0.00 H new ATOM 0 HA SER A 6 -2.404 -11.264 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.081 -13.159 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.031 -12.892 -6.919 1.00 0.00 H new ATOM 0 HG SER A 6 -2.688 -14.773 -7.085 1.00 0.00 H new ATOM 88 N PRO A 7 -4.274 -9.934 -6.486 1.00 0.00 N ATOM 89 CA PRO A 7 -5.061 -8.895 -5.837 1.00 0.00 C ATOM 90 C PRO A 7 -5.445 -9.245 -4.391 1.00 0.00 C ATOM 91 O PRO A 7 -5.186 -8.447 -3.485 1.00 0.00 O ATOM 92 CB PRO A 7 -6.246 -8.625 -6.775 1.00 0.00 C ATOM 93 CG PRO A 7 -6.266 -9.798 -7.750 1.00 0.00 C ATOM 94 CD PRO A 7 -4.811 -10.240 -7.804 1.00 0.00 C ATOM 0 HA PRO A 7 -4.486 -7.980 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.181 -8.561 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.123 -7.679 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.916 -10.600 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.631 -9.497 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.730 -11.304 -8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.266 -9.709 -8.585 1.00 0.00 H new ATOM 102 N HIS A 8 -6.024 -10.425 -4.150 1.00 0.00 N ATOM 103 CA HIS A 8 -6.425 -10.829 -2.804 1.00 0.00 C ATOM 104 C HIS A 8 -5.226 -11.246 -1.946 1.00 0.00 C ATOM 105 O HIS A 8 -5.299 -11.177 -0.720 1.00 0.00 O ATOM 106 CB HIS A 8 -7.403 -12.002 -2.903 1.00 0.00 C ATOM 107 CG HIS A 8 -8.382 -12.109 -1.765 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.720 -11.793 -1.840 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.135 -12.594 -0.509 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.271 -12.068 -0.645 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.341 -12.551 0.194 1.00 0.00 N ATOM 0 H HIS A 8 -6.225 -11.117 -4.872 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.896 -9.971 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.960 -11.913 -3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.832 -12.929 -2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.185 -12.944 -0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.312 -11.921 -0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.488 -12.834 1.163 1.00 0.00 H new ATOM 119 N ASP A 9 -4.123 -11.682 -2.566 1.00 0.00 N ATOM 120 CA ASP A 9 -2.923 -12.118 -1.850 1.00 0.00 C ATOM 121 C ASP A 9 -2.357 -10.985 -1.007 1.00 0.00 C ATOM 122 O ASP A 9 -1.708 -11.246 -0.002 1.00 0.00 O ATOM 123 CB ASP A 9 -1.838 -12.654 -2.786 1.00 0.00 C ATOM 124 CG ASP A 9 -1.963 -14.140 -3.069 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.906 -14.812 -3.117 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.092 -14.626 -3.299 1.00 0.00 O ATOM 0 H ASP A 9 -4.040 -11.742 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.233 -12.938 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.880 -12.108 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.860 -12.457 -2.347 1.00 0.00 H new ATOM 131 N ALA A 10 -2.608 -9.728 -1.375 1.00 0.00 N ATOM 132 CA ALA A 10 -2.144 -8.587 -0.605 1.00 0.00 C ATOM 133 C ALA A 10 -2.653 -8.711 0.837 1.00 0.00 C ATOM 134 O ALA A 10 -1.877 -8.555 1.779 1.00 0.00 O ATOM 135 CB ALA A 10 -2.685 -7.320 -1.257 1.00 0.00 C ATOM 0 H ALA A 10 -3.136 -9.479 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.055 -8.549 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.349 -6.449 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.319 -7.254 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.775 -7.350 -1.262 1.00 0.00 H new ATOM 141 N GLN A 11 -3.956 -8.981 0.980 1.00 0.00 N ATOM 142 CA GLN A 11 -4.667 -9.155 2.231 1.00 0.00 C ATOM 143 C GLN A 11 -4.034 -10.311 3.003 1.00 0.00 C ATOM 144 O GLN A 11 -3.701 -10.178 4.176 1.00 0.00 O ATOM 145 CB GLN A 11 -6.145 -9.438 1.914 1.00 0.00 C ATOM 146 CG GLN A 11 -7.025 -9.135 3.139 1.00 0.00 C ATOM 147 CD GLN A 11 -8.133 -10.125 3.492 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.328 -11.169 2.720 1.00 0.00 O flip ATOM 149 NE2 GLN A 11 -8.859 -9.937 4.464 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.569 -9.088 0.172 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.606 -8.258 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.465 -8.829 1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.267 -10.480 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.370 -9.045 4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.486 -8.159 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.708 -9.126 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.613 -10.592 4.671 1.00 0.00 H new ATOM 158 N GLU A 12 -3.850 -11.439 2.321 1.00 0.00 N ATOM 159 CA GLU A 12 -3.263 -12.659 2.847 1.00 0.00 C ATOM 160 C GLU A 12 -1.882 -12.398 3.428 1.00 0.00 C ATOM 161 O GLU A 12 -1.556 -12.913 4.495 1.00 0.00 O ATOM 162 CB GLU A 12 -3.221 -13.657 1.693 1.00 0.00 C ATOM 163 CG GLU A 12 -2.666 -15.025 2.062 1.00 0.00 C ATOM 164 CD GLU A 12 -3.464 -15.819 3.092 1.00 0.00 C ATOM 165 OE1 GLU A 12 -4.527 -15.364 3.559 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.002 -16.941 3.399 1.00 0.00 O ATOM 0 H GLU A 12 -4.120 -11.527 1.341 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.857 -13.059 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.230 -13.782 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.616 -13.238 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.591 -15.621 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.653 -14.893 2.441 1.00 0.00 H new ATOM 173 N LEU A 13 -1.054 -11.601 2.755 1.00 0.00 N ATOM 174 CA LEU A 13 0.278 -11.317 3.254 1.00 0.00 C ATOM 175 C LEU A 13 0.167 -10.582 4.581 1.00 0.00 C ATOM 176 O LEU A 13 0.865 -10.956 5.522 1.00 0.00 O ATOM 177 CB LEU A 13 1.117 -10.533 2.237 1.00 0.00 C ATOM 178 CG LEU A 13 1.542 -11.317 0.981 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.457 -10.427 0.134 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.264 -12.627 1.306 1.00 0.00 C ATOM 0 H LEU A 13 -1.285 -11.147 1.871 1.00 0.00 H new ATOM 0 HA LEU A 13 0.802 -12.259 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.549 -9.657 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.014 -10.168 2.737 1.00 0.00 H new ATOM 0 HG LEU A 13 0.635 -11.585 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.766 -10.969 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.919 -9.525 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.338 -10.153 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.537 -13.132 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.165 -12.413 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.605 -13.271 1.889 1.00 0.00 H new ATOM 192 N ILE A 14 -0.686 -9.557 4.674 1.00 0.00 N ATOM 193 CA ILE A 14 -0.877 -8.784 5.901 1.00 0.00 C ATOM 194 C ILE A 14 -1.421 -9.703 6.991 1.00 0.00 C ATOM 195 O ILE A 14 -0.921 -9.664 8.117 1.00 0.00 O ATOM 196 CB ILE A 14 -1.794 -7.575 5.655 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.247 -6.630 4.562 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.976 -6.742 6.925 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.421 -6.185 3.692 1.00 0.00 C ATOM 0 H ILE A 14 -1.265 -9.240 3.896 1.00 0.00 H new ATOM 0 HA ILE A 14 0.081 -8.383 6.232 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.745 -7.998 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.759 -5.767 5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.497 -7.140 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.630 -5.896 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.422 -7.360 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.006 -6.376 7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.062 -5.515 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.887 -7.058 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.153 -5.663 4.308 1.00 0.00 H new ATOM 211 N ALA A 15 -2.396 -10.558 6.667 1.00 0.00 N ATOM 212 CA ALA A 15 -2.989 -11.500 7.606 1.00 0.00 C ATOM 213 C ALA A 15 -1.876 -12.364 8.204 1.00 0.00 C ATOM 214 O ALA A 15 -1.827 -12.546 9.421 1.00 0.00 O ATOM 215 CB ALA A 15 -4.060 -12.348 6.908 1.00 0.00 C ATOM 0 H ALA A 15 -2.797 -10.612 5.731 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.486 -10.964 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.494 -13.047 7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.842 -11.697 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.606 -12.903 6.087 1.00 0.00 H new ATOM 221 N ARG A 16 -0.949 -12.841 7.365 1.00 0.00 N ATOM 222 CA ARG A 16 0.192 -13.672 7.754 1.00 0.00 C ATOM 223 C ARG A 16 1.255 -12.900 8.541 1.00 0.00 C ATOM 224 O ARG A 16 2.045 -13.544 9.237 1.00 0.00 O ATOM 225 CB ARG A 16 0.801 -14.302 6.500 1.00 0.00 C ATOM 226 CG ARG A 16 -0.110 -15.324 5.820 1.00 0.00 C ATOM 227 CD ARG A 16 0.536 -15.655 4.473 1.00 0.00 C ATOM 228 NE ARG A 16 -0.239 -16.656 3.739 1.00 0.00 N ATOM 229 CZ ARG A 16 0.104 -17.280 2.609 1.00 0.00 C ATOM 230 NH1 ARG A 16 1.354 -17.287 2.169 1.00 0.00 N ATOM 231 NH2 ARG A 16 -0.847 -17.892 1.918 1.00 0.00 N ATOM 0 H ARG A 16 -0.975 -12.652 6.363 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.176 -14.448 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.041 -13.513 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.740 -14.787 6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.212 -16.220 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.112 -14.918 5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.619 -14.747 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.549 -16.024 4.635 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.145 -16.906 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.083 -16.807 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.587 -17.772 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.810 -17.878 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.616 -18.377 1.051 1.00 0.00 H new ATOM 245 N GLY A 17 1.306 -11.570 8.431 1.00 0.00 N ATOM 246 CA GLY A 17 2.259 -10.736 9.163 1.00 0.00 C ATOM 247 C GLY A 17 2.770 -9.492 8.436 1.00 0.00 C ATOM 248 O GLY A 17 3.434 -8.670 9.067 1.00 0.00 O ATOM 0 H GLY A 17 0.681 -11.038 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.791 -10.419 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.117 -11.352 9.431 1.00 0.00 H new ATOM 252 N ALA A 18 2.479 -9.304 7.148 1.00 0.00 N ATOM 253 CA ALA A 18 2.945 -8.154 6.372 1.00 0.00 C ATOM 254 C ALA A 18 2.292 -6.815 6.776 1.00 0.00 C ATOM 255 O ALA A 18 1.465 -6.745 7.687 1.00 0.00 O ATOM 256 CB ALA A 18 2.759 -8.453 4.879 1.00 0.00 C ATOM 0 H ALA A 18 1.907 -9.953 6.608 1.00 0.00 H new ATOM 0 HA ALA A 18 4.003 -8.015 6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.103 -7.602 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.337 -9.337 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.704 -8.633 4.673 1.00 0.00 H new ATOM 262 N LYS A 19 2.668 -5.726 6.099 1.00 0.00 N ATOM 263 CA LYS A 19 2.173 -4.356 6.299 1.00 0.00 C ATOM 264 C LYS A 19 1.756 -3.811 4.933 1.00 0.00 C ATOM 265 O LYS A 19 2.271 -4.259 3.911 1.00 0.00 O ATOM 266 CB LYS A 19 3.266 -3.461 6.933 1.00 0.00 C ATOM 267 CG LYS A 19 2.929 -2.802 8.280 1.00 0.00 C ATOM 268 CD LYS A 19 1.740 -1.829 8.191 1.00 0.00 C ATOM 269 CE LYS A 19 1.316 -1.282 9.561 1.00 0.00 C ATOM 270 NZ LYS A 19 0.791 -2.332 10.459 1.00 0.00 N ATOM 0 H LYS A 19 3.364 -5.777 5.355 1.00 0.00 H new ATOM 0 HA LYS A 19 1.324 -4.359 6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.164 -4.064 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.514 -2.673 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.703 -3.578 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.805 -2.265 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.005 -0.997 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.893 -2.338 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.171 -0.799 10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.554 -0.515 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.380 -1.891 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.058 -2.878 9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.565 -2.967 10.740 1.00 0.00 H new ATOM 284 N LEU A 20 0.876 -2.814 4.907 1.00 0.00 N ATOM 285 CA LEU A 20 0.374 -2.198 3.679 1.00 0.00 C ATOM 286 C LEU A 20 0.681 -0.714 3.758 1.00 0.00 C ATOM 287 O LEU A 20 0.226 -0.040 4.689 1.00 0.00 O ATOM 288 CB LEU A 20 -1.130 -2.479 3.549 1.00 0.00 C ATOM 289 CG LEU A 20 -1.660 -2.538 2.106 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.954 -3.576 1.226 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.161 -2.827 2.147 1.00 0.00 C ATOM 0 H LEU A 20 0.484 -2.403 5.754 1.00 0.00 H new ATOM 0 HA LEU A 20 0.852 -2.610 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.351 -3.427 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.676 -1.706 4.089 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.454 -1.570 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.384 -3.557 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.109 -3.342 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.085 -4.568 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.551 -2.872 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.334 -3.781 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.669 -2.034 2.696 1.00 0.00 H new ATOM 303 N ILE A 21 1.482 -0.194 2.833 1.00 0.00 N ATOM 304 CA ILE A 21 1.867 1.209 2.829 1.00 0.00 C ATOM 305 C ILE A 21 1.203 1.919 1.652 1.00 0.00 C ATOM 306 O ILE A 21 1.344 1.525 0.491 1.00 0.00 O ATOM 307 CB ILE A 21 3.410 1.325 2.863 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.014 1.190 4.280 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.866 2.691 2.330 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.592 -0.052 5.069 1.00 0.00 C ATOM 0 H ILE A 21 1.881 -0.735 2.066 1.00 0.00 H new ATOM 0 HA ILE A 21 1.510 1.718 3.724 1.00 0.00 H new ATOM 0 HB ILE A 21 3.761 0.500 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.100 1.190 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.741 2.074 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.954 2.750 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.527 2.811 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.441 3.483 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.075 -0.044 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.510 -0.050 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.891 -0.948 4.525 1.00 0.00 H new ATOM 322 N ASP A 22 0.411 2.939 1.969 1.00 0.00 N ATOM 323 CA ASP A 22 -0.276 3.762 0.987 1.00 0.00 C ATOM 324 C ASP A 22 0.753 4.770 0.484 1.00 0.00 C ATOM 325 O ASP A 22 1.246 5.572 1.281 1.00 0.00 O ATOM 326 CB ASP A 22 -1.473 4.462 1.628 1.00 0.00 C ATOM 327 CG ASP A 22 -2.145 5.430 0.659 1.00 0.00 C ATOM 328 OD1 ASP A 22 -1.966 5.284 -0.572 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.865 6.342 1.124 1.00 0.00 O ATOM 0 H ASP A 22 0.228 3.219 2.932 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.668 3.166 0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.197 3.717 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.146 5.004 2.515 1.00 0.00 H new ATOM 334 N ILE A 23 1.104 4.690 -0.805 1.00 0.00 N ATOM 335 CA ILE A 23 2.093 5.552 -1.450 1.00 0.00 C ATOM 336 C ILE A 23 1.490 6.736 -2.239 1.00 0.00 C ATOM 337 O ILE A 23 2.218 7.349 -3.029 1.00 0.00 O ATOM 338 CB ILE A 23 3.074 4.691 -2.297 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.418 3.968 -3.492 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.806 3.631 -1.449 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.406 3.582 -4.598 1.00 0.00 C ATOM 0 H ILE A 23 0.696 4.006 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 23 2.658 6.040 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 23 3.781 5.424 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.920 3.068 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.646 4.611 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.479 3.057 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.381 4.125 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.076 2.961 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.872 3.078 -5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.886 4.480 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.164 2.913 -4.191 1.00 0.00 H new ATOM 353 N ARG A 24 0.195 7.049 -2.096 1.00 0.00 N ATOM 354 CA ARG A 24 -0.482 8.144 -2.813 1.00 0.00 C ATOM 355 C ARG A 24 -0.107 9.524 -2.238 1.00 0.00 C ATOM 356 O ARG A 24 1.047 9.945 -2.351 1.00 0.00 O ATOM 357 CB ARG A 24 -2.004 7.898 -2.793 1.00 0.00 C ATOM 358 CG ARG A 24 -2.464 6.583 -3.448 1.00 0.00 C ATOM 359 CD ARG A 24 -3.956 6.329 -3.186 1.00 0.00 C ATOM 360 NE ARG A 24 -4.269 6.374 -1.748 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.412 6.728 -1.159 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.499 6.958 -1.890 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.444 6.854 0.162 1.00 0.00 N ATOM 0 H ARG A 24 -0.426 6.540 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.144 8.153 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.344 7.908 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.497 8.729 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.282 6.624 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.876 5.753 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.551 7.076 -3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.236 5.356 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.513 6.099 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.460 6.864 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.371 7.229 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.602 6.681 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.310 7.124 0.628 1.00 0.00 H new ATOM 377 N ASP A 25 -1.068 10.266 -1.679 1.00 0.00 N ATOM 378 CA ASP A 25 -0.920 11.591 -1.084 1.00 0.00 C ATOM 379 C ASP A 25 -1.465 11.527 0.341 1.00 0.00 C ATOM 380 O ASP A 25 -2.407 10.786 0.628 1.00 0.00 O ATOM 381 CB ASP A 25 -1.659 12.658 -1.912 1.00 0.00 C ATOM 382 CG ASP A 25 -0.805 13.181 -3.063 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.324 14.339 -2.980 1.00 0.00 O ATOM 384 OD2 ASP A 25 -0.586 12.435 -4.043 1.00 0.00 O ATOM 0 H ASP A 25 -2.031 9.933 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 25 0.131 11.878 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.582 12.234 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.942 13.488 -1.264 1.00 0.00 H new ATOM 389 N ALA A 26 -0.899 12.338 1.231 1.00 0.00 N ATOM 390 CA ALA A 26 -1.249 12.412 2.644 1.00 0.00 C ATOM 391 C ALA A 26 -2.723 12.708 2.947 1.00 0.00 C ATOM 392 O ALA A 26 -3.258 12.174 3.922 1.00 0.00 O ATOM 393 CB ALA A 26 -0.335 13.463 3.274 1.00 0.00 C ATOM 0 H ALA A 26 -0.154 12.987 0.976 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.102 11.421 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.562 13.553 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.705 13.162 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.496 14.424 2.786 1.00 0.00 H new ATOM 399 N ASP A 27 -3.398 13.521 2.132 1.00 0.00 N ATOM 400 CA ASP A 27 -4.803 13.853 2.377 1.00 0.00 C ATOM 401 C ASP A 27 -5.753 12.761 1.891 1.00 0.00 C ATOM 402 O ASP A 27 -6.949 12.827 2.180 1.00 0.00 O ATOM 403 CB ASP A 27 -5.192 15.178 1.720 1.00 0.00 C ATOM 404 CG ASP A 27 -4.527 16.392 2.354 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.568 16.552 3.594 1.00 0.00 O ATOM 406 OD2 ASP A 27 -4.017 17.246 1.594 1.00 0.00 O ATOM 0 H ASP A 27 -2.998 13.959 1.302 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.901 13.942 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.929 15.141 0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.274 15.297 1.775 1.00 0.00 H new ATOM 411 N GLU A 28 -5.264 11.769 1.144 1.00 0.00 N ATOM 412 CA GLU A 28 -6.092 10.682 0.641 1.00 0.00 C ATOM 413 C GLU A 28 -6.312 9.618 1.719 1.00 0.00 C ATOM 414 O GLU A 28 -7.250 8.828 1.621 1.00 0.00 O ATOM 415 CB GLU A 28 -5.441 10.081 -0.600 1.00 0.00 C ATOM 416 CG GLU A 28 -5.316 11.083 -1.749 1.00 0.00 C ATOM 417 CD GLU A 28 -6.699 11.471 -2.281 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.141 12.616 -2.043 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.363 10.613 -2.912 1.00 0.00 O ATOM 0 H GLU A 28 -4.283 11.701 0.873 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.071 11.076 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.450 9.708 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.027 9.224 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.790 11.974 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.720 10.650 -2.552 1.00 0.00 H new ATOM 426 N TYR A 29 -5.437 9.570 2.726 1.00 0.00 N ATOM 427 CA TYR A 29 -5.546 8.643 3.849 1.00 0.00 C ATOM 428 C TYR A 29 -6.703 9.128 4.728 1.00 0.00 C ATOM 429 O TYR A 29 -7.516 8.340 5.200 1.00 0.00 O ATOM 430 CB TYR A 29 -4.218 8.634 4.626 1.00 0.00 C ATOM 431 CG TYR A 29 -4.312 8.258 6.098 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.125 9.237 7.095 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.585 6.930 6.476 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.192 8.885 8.455 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.637 6.567 7.832 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.435 7.544 8.831 1.00 0.00 C ATOM 437 OH TYR A 29 -4.473 7.208 10.152 1.00 0.00 O ATOM 0 H TYR A 29 -4.623 10.183 2.783 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.743 7.624 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.537 7.938 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.769 9.625 4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.930 10.261 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.756 6.182 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.057 9.641 9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.831 5.542 8.110 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.651 6.248 10.240 1.00 0.00 H new ATOM 447 N LEU A 30 -6.782 10.451 4.915 1.00 0.00 N ATOM 448 CA LEU A 30 -7.796 11.123 5.715 1.00 0.00 C ATOM 449 C LEU A 30 -9.197 10.913 5.164 1.00 0.00 C ATOM 450 O LEU A 30 -10.148 10.859 5.942 1.00 0.00 O ATOM 451 CB LEU A 30 -7.523 12.633 5.724 1.00 0.00 C ATOM 452 CG LEU A 30 -6.228 13.043 6.441 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.020 14.545 6.260 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.293 12.707 7.933 1.00 0.00 C ATOM 0 H LEU A 30 -6.115 11.100 4.496 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.744 10.698 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.481 12.988 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.363 13.138 6.201 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.394 12.490 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.103 14.849 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.943 14.776 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.865 15.084 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.363 13.008 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.127 13.239 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.435 11.634 8.058 1.00 0.00 H new ATOM 466 N ARG A 31 -9.338 10.860 3.838 1.00 0.00 N ATOM 467 CA ARG A 31 -10.628 10.673 3.185 1.00 0.00 C ATOM 468 C ARG A 31 -11.217 9.330 3.587 1.00 0.00 C ATOM 469 O ARG A 31 -12.138 9.246 4.402 1.00 0.00 O ATOM 470 CB ARG A 31 -10.503 10.797 1.661 1.00 0.00 C ATOM 471 CG ARG A 31 -10.141 12.227 1.254 1.00 0.00 C ATOM 472 CD ARG A 31 -11.090 12.796 0.198 1.00 0.00 C ATOM 473 NE ARG A 31 -12.387 13.190 0.773 1.00 0.00 N ATOM 474 CZ ARG A 31 -12.671 14.364 1.349 1.00 0.00 C ATOM 475 NH1 ARG A 31 -11.713 15.258 1.570 1.00 0.00 N ATOM 476 NH2 ARG A 31 -13.921 14.663 1.674 1.00 0.00 N ATOM 0 H ARG A 31 -8.557 10.946 3.188 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.305 11.461 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.740 10.108 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.443 10.508 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.159 12.867 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.122 12.244 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.627 13.661 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.251 12.052 -0.582 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.140 12.503 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.751 15.052 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.939 16.150 2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.670 13.997 1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.133 15.559 2.113 1.00 0.00 H new ATOM 490 N GLU A 32 -10.692 8.274 2.985 1.00 0.00 N ATOM 491 CA GLU A 32 -11.085 6.901 3.185 1.00 0.00 C ATOM 492 C GLU A 32 -10.094 6.060 2.406 1.00 0.00 C ATOM 493 O GLU A 32 -9.785 6.384 1.257 1.00 0.00 O ATOM 494 CB GLU A 32 -12.530 6.640 2.713 1.00 0.00 C ATOM 495 CG GLU A 32 -12.995 7.283 1.386 1.00 0.00 C ATOM 496 CD GLU A 32 -14.494 7.616 1.392 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.901 8.583 2.085 1.00 0.00 O ATOM 498 OE2 GLU A 32 -15.273 6.970 0.650 1.00 0.00 O ATOM 0 H GLU A 32 -9.937 8.365 2.306 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.074 6.649 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.661 5.562 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.203 6.979 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.424 8.194 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.779 6.604 0.561 1.00 0.00 H new ATOM 505 N HIS A 33 -9.556 5.021 3.038 1.00 0.00 N ATOM 506 CA HIS A 33 -8.606 4.120 2.409 1.00 0.00 C ATOM 507 C HIS A 33 -8.782 2.726 3.002 1.00 0.00 C ATOM 508 O HIS A 33 -9.911 2.346 3.297 1.00 0.00 O ATOM 509 CB HIS A 33 -7.170 4.670 2.454 1.00 0.00 C ATOM 510 CG HIS A 33 -6.349 4.080 1.333 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.715 4.077 0.005 1.00 0.00 N ATOM 512 CD2 HIS A 33 -5.138 3.449 1.433 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.739 3.468 -0.681 1.00 0.00 C ATOM 514 NE2 HIS A 33 -4.750 3.081 0.140 1.00 0.00 N ATOM 0 H HIS A 33 -9.771 4.782 4.006 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.812 4.040 1.342 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.186 5.757 2.369 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.712 4.432 3.414 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.573 4.467 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.584 3.269 2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.747 3.310 -1.749 1.00 0.00 H new ATOM 522 N ILE A 34 -7.718 1.948 3.176 1.00 0.00 N ATOM 523 CA ILE A 34 -7.776 0.592 3.711 1.00 0.00 C ATOM 524 C ILE A 34 -7.444 0.619 5.213 1.00 0.00 C ATOM 525 O ILE A 34 -6.539 1.348 5.628 1.00 0.00 O ATOM 526 CB ILE A 34 -6.828 -0.282 2.861 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.416 -0.368 1.430 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.631 -1.694 3.448 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.385 -0.748 0.376 1.00 0.00 C ATOM 0 H ILE A 34 -6.771 2.249 2.944 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.772 0.155 3.643 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.841 0.180 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.223 -1.101 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.856 0.594 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.956 -2.263 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.205 -1.616 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.593 -2.203 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.864 -0.790 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.590 -0.002 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.962 -1.724 0.616 1.00 0.00 H new ATOM 541 N PRO A 35 -8.136 -0.179 6.048 1.00 0.00 N ATOM 542 CA PRO A 35 -7.902 -0.224 7.489 1.00 0.00 C ATOM 543 C PRO A 35 -6.562 -0.876 7.842 1.00 0.00 C ATOM 544 O PRO A 35 -5.872 -0.421 8.755 1.00 0.00 O ATOM 545 CB PRO A 35 -9.080 -1.019 8.064 1.00 0.00 C ATOM 546 CG PRO A 35 -9.484 -1.935 6.912 1.00 0.00 C ATOM 547 CD PRO A 35 -9.225 -1.075 5.686 1.00 0.00 C ATOM 0 HA PRO A 35 -7.843 0.781 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.788 -1.588 8.947 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.899 -0.365 8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.891 -2.850 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.530 -2.234 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.955 -1.690 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.117 -0.513 5.408 1.00 0.00 H new ATOM 555 N GLU A 36 -6.171 -1.919 7.113 1.00 0.00 N ATOM 556 CA GLU A 36 -4.930 -2.654 7.329 1.00 0.00 C ATOM 557 C GLU A 36 -3.679 -1.866 6.913 1.00 0.00 C ATOM 558 O GLU A 36 -2.563 -2.336 7.161 1.00 0.00 O ATOM 559 CB GLU A 36 -4.997 -3.975 6.552 1.00 0.00 C ATOM 560 CG GLU A 36 -6.057 -4.934 7.104 1.00 0.00 C ATOM 561 CD GLU A 36 -6.132 -6.215 6.275 1.00 0.00 C ATOM 562 OE1 GLU A 36 -7.098 -6.347 5.489 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.253 -7.083 6.461 1.00 0.00 O ATOM 0 H GLU A 36 -6.723 -2.284 6.337 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.837 -2.834 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.214 -3.765 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.022 -4.461 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.823 -5.182 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.030 -4.442 7.106 1.00 0.00 H new ATOM 570 N ALA A 37 -3.844 -0.719 6.248 1.00 0.00 N ATOM 571 CA ALA A 37 -2.745 0.121 5.801 1.00 0.00 C ATOM 572 C ALA A 37 -2.528 1.287 6.750 1.00 0.00 C ATOM 573 O ALA A 37 -3.281 1.482 7.710 1.00 0.00 O ATOM 574 CB ALA A 37 -3.042 0.665 4.394 1.00 0.00 C ATOM 0 H ALA A 37 -4.762 -0.348 6.004 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.841 -0.488 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.215 1.294 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.164 -0.167 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.958 1.255 4.418 1.00 0.00 H new ATOM 580 N ASP A 38 -1.475 2.065 6.490 1.00 0.00 N ATOM 581 CA ASP A 38 -1.188 3.234 7.285 1.00 0.00 C ATOM 582 C ASP A 38 -1.077 4.401 6.315 1.00 0.00 C ATOM 583 O ASP A 38 -2.076 4.791 5.715 1.00 0.00 O ATOM 584 CB ASP A 38 0.016 2.990 8.198 1.00 0.00 C ATOM 585 CG ASP A 38 0.048 4.051 9.293 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.864 3.982 10.142 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.983 4.888 9.285 1.00 0.00 O ATOM 0 H ASP A 38 -0.814 1.896 5.732 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.979 3.477 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.046 1.996 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.938 3.023 7.618 1.00 0.00 H new ATOM 592 N LEU A 39 0.128 4.919 6.101 1.00 0.00 N ATOM 593 CA LEU A 39 0.392 6.054 5.220 1.00 0.00 C ATOM 594 C LEU A 39 1.888 6.343 5.130 1.00 0.00 C ATOM 595 O LEU A 39 2.560 6.505 6.154 1.00 0.00 O ATOM 596 CB LEU A 39 -0.300 7.319 5.783 1.00 0.00 C ATOM 597 CG LEU A 39 0.036 8.621 5.037 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.450 8.571 3.587 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.580 9.820 5.753 1.00 0.00 C ATOM 0 H LEU A 39 0.970 4.553 6.546 1.00 0.00 H new ATOM 0 HA LEU A 39 0.008 5.804 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.379 7.169 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.021 7.434 6.830 1.00 0.00 H new ATOM 0 HG LEU A 39 1.121 8.729 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.198 9.506 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.032 7.741 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.531 8.431 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.333 10.733 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.663 9.703 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.185 9.881 6.767 1.00 0.00 H new ATOM 611 N ALA A 40 2.418 6.403 3.914 1.00 0.00 N ATOM 612 CA ALA A 40 3.813 6.710 3.619 1.00 0.00 C ATOM 613 C ALA A 40 3.825 7.121 2.135 1.00 0.00 C ATOM 614 O ALA A 40 4.180 6.307 1.277 1.00 0.00 O ATOM 615 CB ALA A 40 4.749 5.549 3.999 1.00 0.00 C ATOM 0 H ALA A 40 1.866 6.232 3.073 1.00 0.00 H new ATOM 0 HA ALA A 40 4.211 7.527 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.778 5.819 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.663 5.347 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.470 4.658 3.437 1.00 0.00 H new ATOM 621 N PRO A 41 3.391 8.356 1.818 1.00 0.00 N ATOM 622 CA PRO A 41 3.313 8.837 0.450 1.00 0.00 C ATOM 623 C PRO A 41 4.684 8.878 -0.193 1.00 0.00 C ATOM 624 O PRO A 41 5.690 9.131 0.482 1.00 0.00 O ATOM 625 CB PRO A 41 2.678 10.230 0.508 1.00 0.00 C ATOM 626 CG PRO A 41 2.907 10.691 1.941 1.00 0.00 C ATOM 627 CD PRO A 41 2.970 9.395 2.742 1.00 0.00 C ATOM 0 HA PRO A 41 2.711 8.168 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.143 10.909 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.616 10.193 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.831 11.262 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.098 11.335 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.673 9.485 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.997 9.159 3.174 1.00 0.00 H new ATOM 635 N LEU A 42 4.714 8.731 -1.521 1.00 0.00 N ATOM 636 CA LEU A 42 5.981 8.757 -2.242 1.00 0.00 C ATOM 637 C LEU A 42 6.689 10.088 -2.010 1.00 0.00 C ATOM 638 O LEU A 42 7.908 10.147 -1.902 1.00 0.00 O ATOM 639 CB LEU A 42 5.789 8.512 -3.742 1.00 0.00 C ATOM 640 CG LEU A 42 6.798 7.551 -4.399 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.073 7.208 -3.628 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.093 6.236 -4.709 1.00 0.00 C ATOM 0 H LEU A 42 3.889 8.595 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 42 6.599 7.947 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.785 8.119 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.841 9.471 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 42 7.139 8.107 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.682 6.523 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.638 8.120 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.810 6.736 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.797 5.547 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.715 5.799 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.262 6.420 -5.390 1.00 0.00 H new ATOM 654 N SER A 43 5.900 11.149 -1.855 1.00 0.00 N ATOM 655 CA SER A 43 6.353 12.503 -1.614 1.00 0.00 C ATOM 656 C SER A 43 7.189 12.636 -0.324 1.00 0.00 C ATOM 657 O SER A 43 7.866 13.646 -0.149 1.00 0.00 O ATOM 658 CB SER A 43 5.112 13.405 -1.581 1.00 0.00 C ATOM 659 OG SER A 43 4.218 13.083 -2.641 1.00 0.00 O ATOM 0 H SER A 43 4.883 11.077 -1.897 1.00 0.00 H new ATOM 0 HA SER A 43 7.026 12.806 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.602 13.293 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.415 14.449 -1.661 1.00 0.00 H new ATOM 0 HG SER A 43 3.434 13.670 -2.598 1.00 0.00 H new ATOM 665 N VAL A 44 7.146 11.650 0.580 1.00 0.00 N ATOM 666 CA VAL A 44 7.898 11.614 1.836 1.00 0.00 C ATOM 667 C VAL A 44 9.014 10.563 1.709 1.00 0.00 C ATOM 668 O VAL A 44 10.140 10.795 2.163 1.00 0.00 O ATOM 669 CB VAL A 44 6.929 11.360 3.013 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.653 11.104 4.343 1.00 0.00 C ATOM 671 CG2 VAL A 44 6.001 12.570 3.207 1.00 0.00 C ATOM 0 H VAL A 44 6.563 10.824 0.450 1.00 0.00 H new ATOM 0 HA VAL A 44 8.380 12.569 2.044 1.00 0.00 H new ATOM 0 HB VAL A 44 6.365 10.465 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.919 10.933 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.292 10.227 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.263 11.971 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.323 12.379 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.598 13.456 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.422 12.734 2.298 1.00 0.00 H new ATOM 681 N LEU A 45 8.736 9.423 1.064 1.00 0.00 N ATOM 682 CA LEU A 45 9.713 8.352 0.865 1.00 0.00 C ATOM 683 C LEU A 45 10.883 8.863 0.033 1.00 0.00 C ATOM 684 O LEU A 45 12.030 8.665 0.411 1.00 0.00 O ATOM 685 CB LEU A 45 9.063 7.144 0.165 1.00 0.00 C ATOM 686 CG LEU A 45 8.445 6.088 1.104 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.516 5.157 1.645 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.648 6.662 2.280 1.00 0.00 C ATOM 0 H LEU A 45 7.820 9.219 0.664 1.00 0.00 H new ATOM 0 HA LEU A 45 10.077 8.032 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.285 7.510 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.815 6.657 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 45 7.734 5.547 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.058 4.420 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.007 4.647 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.253 5.735 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.252 5.846 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.301 7.284 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.823 7.266 1.901 1.00 0.00 H new ATOM 700 N GLU A 46 10.592 9.538 -1.078 1.00 0.00 N ATOM 701 CA GLU A 46 11.604 10.085 -1.976 1.00 0.00 C ATOM 702 C GLU A 46 12.458 11.151 -1.293 1.00 0.00 C ATOM 703 O GLU A 46 13.629 11.305 -1.634 1.00 0.00 O ATOM 704 CB GLU A 46 10.925 10.691 -3.206 1.00 0.00 C ATOM 705 CG GLU A 46 10.447 9.569 -4.143 1.00 0.00 C ATOM 706 CD GLU A 46 11.227 9.413 -5.440 1.00 0.00 C ATOM 707 OE1 GLU A 46 10.736 8.727 -6.364 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.380 9.884 -5.542 1.00 0.00 O ATOM 0 H GLU A 46 9.636 9.722 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 46 12.261 9.267 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.079 11.306 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.621 11.345 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.489 8.625 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.401 9.748 -4.390 1.00 0.00 H new ATOM 715 N GLN A 47 11.870 11.891 -0.351 1.00 0.00 N ATOM 716 CA GLN A 47 12.531 12.954 0.383 1.00 0.00 C ATOM 717 C GLN A 47 13.468 12.480 1.482 1.00 0.00 C ATOM 718 O GLN A 47 14.582 12.996 1.598 1.00 0.00 O ATOM 719 CB GLN A 47 11.468 13.856 1.024 1.00 0.00 C ATOM 720 CG GLN A 47 10.978 14.933 0.055 1.00 0.00 C ATOM 721 CD GLN A 47 10.172 16.013 0.773 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.593 16.558 1.795 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.019 16.383 0.251 1.00 0.00 N ATOM 0 H GLN A 47 10.897 11.759 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 47 13.144 13.480 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.624 13.248 1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.882 14.329 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.833 15.389 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.363 14.474 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.673 15.930 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.473 17.122 0.693 1.00 0.00 H new ATOM 732 N SER A 48 13.015 11.542 2.308 1.00 0.00 N ATOM 733 CA SER A 48 13.806 11.040 3.418 1.00 0.00 C ATOM 734 C SER A 48 13.816 9.522 3.506 1.00 0.00 C ATOM 735 O SER A 48 14.892 8.952 3.711 1.00 0.00 O ATOM 736 CB SER A 48 13.241 11.681 4.686 1.00 0.00 C ATOM 737 OG SER A 48 14.036 11.403 5.816 1.00 0.00 O ATOM 0 H SER A 48 12.094 11.113 2.225 1.00 0.00 H new ATOM 0 HA SER A 48 14.853 11.309 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 48 13.172 12.760 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.228 11.316 4.856 1.00 0.00 H new ATOM 0 HG SER A 48 13.643 11.831 6.605 1.00 0.00 H new ATOM 743 N GLY A 49 12.661 8.874 3.386 1.00 0.00 N ATOM 744 CA GLY A 49 12.576 7.421 3.468 1.00 0.00 C ATOM 745 C GLY A 49 11.415 6.937 4.331 1.00 0.00 C ATOM 746 O GLY A 49 10.588 7.726 4.801 1.00 0.00 O ATOM 0 H GLY A 49 11.766 9.337 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.469 7.012 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.510 7.031 3.873 1.00 0.00 H new ATOM 750 N LEU A 50 11.333 5.612 4.487 1.00 0.00 N ATOM 751 CA LEU A 50 10.302 4.912 5.251 1.00 0.00 C ATOM 752 C LEU A 50 10.517 5.144 6.755 1.00 0.00 C ATOM 753 O LEU A 50 11.669 5.095 7.197 1.00 0.00 O ATOM 754 CB LEU A 50 10.378 3.412 4.902 1.00 0.00 C ATOM 755 CG LEU A 50 9.175 2.592 5.399 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.887 2.867 4.608 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.480 1.101 5.255 1.00 0.00 C ATOM 0 H LEU A 50 12.010 4.975 4.067 1.00 0.00 H new ATOM 0 HA LEU A 50 9.312 5.291 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.456 3.305 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.290 2.996 5.330 1.00 0.00 H new ATOM 0 HG LEU A 50 9.016 2.885 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.077 2.257 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.625 3.921 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.044 2.617 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.628 0.520 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.670 0.868 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.360 0.851 5.848 1.00 0.00 H new ATOM 769 N PRO A 51 9.463 5.371 7.560 1.00 0.00 N ATOM 770 CA PRO A 51 9.622 5.604 8.986 1.00 0.00 C ATOM 771 C PRO A 51 9.894 4.309 9.747 1.00 0.00 C ATOM 772 O PRO A 51 9.458 3.226 9.348 1.00 0.00 O ATOM 773 CB PRO A 51 8.291 6.203 9.447 1.00 0.00 C ATOM 774 CG PRO A 51 7.267 5.625 8.476 1.00 0.00 C ATOM 775 CD PRO A 51 8.059 5.452 7.182 1.00 0.00 C ATOM 0 HA PRO A 51 10.472 6.259 9.178 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.065 5.926 10.477 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.309 7.292 9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.868 4.675 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.419 6.296 8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.747 4.550 6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.887 6.291 6.508 1.00 0.00 H new ATOM 783 N ALA A 52 10.484 4.450 10.938 1.00 0.00 N ATOM 784 CA ALA A 52 10.820 3.349 11.836 1.00 0.00 C ATOM 785 C ALA A 52 9.590 2.517 12.245 1.00 0.00 C ATOM 786 O ALA A 52 9.723 1.381 12.683 1.00 0.00 O ATOM 787 CB ALA A 52 11.501 3.906 13.088 1.00 0.00 C ATOM 0 H ALA A 52 10.747 5.362 11.312 1.00 0.00 H new ATOM 0 HA ALA A 52 11.493 2.683 11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.753 3.086 13.760 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.411 4.434 12.803 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.825 4.595 13.594 1.00 0.00 H new ATOM 793 N LYS A 53 8.389 3.083 12.109 1.00 0.00 N ATOM 794 CA LYS A 53 7.123 2.459 12.452 1.00 0.00 C ATOM 795 C LYS A 53 6.721 1.383 11.446 1.00 0.00 C ATOM 796 O LYS A 53 6.607 0.202 11.760 1.00 0.00 O ATOM 797 CB LYS A 53 5.992 3.502 12.508 1.00 0.00 C ATOM 798 CG LYS A 53 6.137 4.567 13.586 1.00 0.00 C ATOM 799 CD LYS A 53 6.771 5.771 12.933 1.00 0.00 C ATOM 800 CE LYS A 53 6.791 7.031 13.799 1.00 0.00 C ATOM 801 NZ LYS A 53 5.517 7.775 13.758 1.00 0.00 N ATOM 0 H LYS A 53 8.274 4.027 11.741 1.00 0.00 H new ATOM 0 HA LYS A 53 7.267 2.001 13.430 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.929 3.997 11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.047 2.980 12.662 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.165 4.824 14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.755 4.203 14.407 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.795 5.520 12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.236 5.990 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.011 6.754 14.830 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.598 7.683 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.588 8.618 14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.316 8.066 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.748 7.166 14.103 1.00 0.00 H new ATOM 815 N LEU A 54 6.507 1.830 10.210 1.00 0.00 N ATOM 816 CA LEU A 54 6.054 1.033 9.067 1.00 0.00 C ATOM 817 C LEU A 54 7.082 0.120 8.406 1.00 0.00 C ATOM 818 O LEU A 54 6.739 -0.559 7.444 1.00 0.00 O ATOM 819 CB LEU A 54 5.436 1.977 8.022 1.00 0.00 C ATOM 820 CG LEU A 54 4.275 2.820 8.578 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.746 3.751 7.487 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.142 1.949 9.135 1.00 0.00 C ATOM 0 H LEU A 54 6.652 2.809 9.964 1.00 0.00 H new ATOM 0 HA LEU A 54 5.328 0.334 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.210 2.643 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.077 1.389 7.177 1.00 0.00 H new ATOM 0 HG LEU A 54 4.660 3.411 9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.924 4.347 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.546 4.413 7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.391 3.159 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.345 2.588 9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.749 1.313 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.525 1.326 9.943 1.00 0.00 H new ATOM 834 N ARG A 55 8.316 0.085 8.892 1.00 0.00 N ATOM 835 CA ARG A 55 9.428 -0.719 8.374 1.00 0.00 C ATOM 836 C ARG A 55 9.351 -2.200 8.753 1.00 0.00 C ATOM 837 O ARG A 55 10.381 -2.849 8.965 1.00 0.00 O ATOM 838 CB ARG A 55 10.761 -0.055 8.761 1.00 0.00 C ATOM 839 CG ARG A 55 11.058 -0.134 10.269 1.00 0.00 C ATOM 840 CD ARG A 55 12.142 -1.152 10.636 1.00 0.00 C ATOM 841 NE ARG A 55 11.724 -2.094 11.687 1.00 0.00 N ATOM 842 CZ ARG A 55 12.537 -2.992 12.250 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.806 -3.080 11.869 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.084 -3.804 13.190 1.00 0.00 N ATOM 0 H ARG A 55 8.588 0.644 9.701 1.00 0.00 H new ATOM 0 HA ARG A 55 9.354 -0.734 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.572 -0.533 8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.742 0.991 8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.364 0.851 10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.140 -0.390 10.797 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.420 -1.714 9.744 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.033 -0.620 10.968 1.00 0.00 H new ATOM 0 HE ARG A 55 10.755 -2.059 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.165 -2.460 11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.422 -3.768 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.110 -3.746 13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.708 -4.488 13.617 1.00 0.00 H new ATOM 858 N HIS A 56 8.128 -2.709 8.898 1.00 0.00 N ATOM 859 CA HIS A 56 7.874 -4.095 9.255 1.00 0.00 C ATOM 860 C HIS A 56 8.683 -5.017 8.341 1.00 0.00 C ATOM 861 O HIS A 56 8.949 -4.684 7.186 1.00 0.00 O ATOM 862 CB HIS A 56 6.372 -4.406 9.225 1.00 0.00 C ATOM 863 CG HIS A 56 6.020 -5.611 10.057 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.857 -6.905 9.611 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.859 -5.616 11.416 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.630 -7.678 10.688 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.593 -6.933 11.803 1.00 0.00 N ATOM 0 H HIS A 56 7.279 -2.160 8.768 1.00 0.00 H new ATOM 0 HA HIS A 56 8.201 -4.271 10.280 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.817 -3.541 9.589 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.059 -4.575 8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.925 -4.759 12.070 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.496 -8.749 10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.407 -7.263 12.750 1.00 0.00 H new ATOM 875 N GLU A 57 9.006 -6.207 8.841 1.00 0.00 N ATOM 876 CA GLU A 57 9.794 -7.232 8.162 1.00 0.00 C ATOM 877 C GLU A 57 9.409 -7.503 6.708 1.00 0.00 C ATOM 878 O GLU A 57 10.263 -7.955 5.944 1.00 0.00 O ATOM 879 CB GLU A 57 9.670 -8.534 8.951 1.00 0.00 C ATOM 880 CG GLU A 57 10.507 -8.537 10.229 1.00 0.00 C ATOM 881 CD GLU A 57 9.961 -9.590 11.186 1.00 0.00 C ATOM 882 OE1 GLU A 57 9.302 -9.201 12.178 1.00 0.00 O ATOM 883 OE2 GLU A 57 10.143 -10.799 10.902 1.00 0.00 O ATOM 0 H GLU A 57 8.712 -6.496 9.774 1.00 0.00 H new ATOM 0 HA GLU A 57 10.814 -6.849 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.624 -8.699 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.978 -9.367 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.550 -8.749 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.479 -7.553 10.698 1.00 0.00 H new ATOM 890 N GLN A 58 8.143 -7.315 6.330 1.00 0.00 N ATOM 891 CA GLN A 58 7.630 -7.517 4.983 1.00 0.00 C ATOM 892 C GLN A 58 6.474 -6.556 4.802 1.00 0.00 C ATOM 893 O GLN A 58 5.607 -6.473 5.679 1.00 0.00 O ATOM 894 CB GLN A 58 7.165 -8.970 4.764 1.00 0.00 C ATOM 895 CG GLN A 58 8.251 -10.002 5.109 1.00 0.00 C ATOM 896 CD GLN A 58 7.920 -11.425 4.708 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.804 -11.727 4.289 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.876 -12.325 4.851 1.00 0.00 N ATOM 0 H GLN A 58 7.423 -7.006 6.983 1.00 0.00 H new ATOM 0 HA GLN A 58 8.416 -7.330 4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.283 -9.160 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.866 -9.098 3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.181 -9.708 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.432 -9.974 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.792 -12.045 5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.698 -13.300 4.611 1.00 0.00 H new ATOM 907 N ILE A 59 6.462 -5.824 3.690 1.00 0.00 N ATOM 908 CA ILE A 59 5.424 -4.856 3.390 1.00 0.00 C ATOM 909 C ILE A 59 5.060 -4.928 1.903 1.00 0.00 C ATOM 910 O ILE A 59 5.746 -5.568 1.102 1.00 0.00 O ATOM 911 CB ILE A 59 5.854 -3.435 3.846 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.698 -2.698 2.783 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.574 -3.428 5.212 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.090 -1.273 3.174 1.00 0.00 C ATOM 0 H ILE A 59 7.181 -5.891 2.970 1.00 0.00 H new ATOM 0 HA ILE A 59 4.521 -5.096 3.952 1.00 0.00 H new ATOM 0 HB ILE A 59 4.921 -2.886 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.604 -3.273 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.138 -2.666 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.848 -2.406 5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.909 -3.832 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.473 -4.041 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.681 -0.826 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.190 -0.680 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.679 -1.296 4.091 1.00 0.00 H new ATOM 926 N ILE A 60 3.989 -4.242 1.521 1.00 0.00 N ATOM 927 CA ILE A 60 3.468 -4.147 0.165 1.00 0.00 C ATOM 928 C ILE A 60 3.184 -2.655 -0.085 1.00 0.00 C ATOM 929 O ILE A 60 3.024 -1.882 0.869 1.00 0.00 O ATOM 930 CB ILE A 60 2.222 -5.065 0.025 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.531 -6.544 0.368 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.572 -5.013 -1.371 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.887 -6.988 1.682 1.00 0.00 C ATOM 0 H ILE A 60 3.431 -3.708 2.187 1.00 0.00 H new ATOM 0 HA ILE A 60 4.169 -4.497 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 60 1.515 -4.662 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.176 -7.183 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.610 -6.681 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.709 -5.678 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.251 -3.994 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.296 -5.330 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.135 -8.032 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.261 -6.370 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.805 -6.880 1.612 1.00 0.00 H new ATOM 945 N PHE A 61 3.157 -2.256 -1.359 1.00 0.00 N ATOM 946 CA PHE A 61 2.890 -0.906 -1.830 1.00 0.00 C ATOM 947 C PHE A 61 1.747 -0.978 -2.846 1.00 0.00 C ATOM 948 O PHE A 61 1.708 -1.888 -3.678 1.00 0.00 O ATOM 949 CB PHE A 61 4.144 -0.310 -2.486 1.00 0.00 C ATOM 950 CG PHE A 61 5.337 -0.077 -1.583 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.176 0.631 -0.380 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.619 -0.526 -1.963 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.287 0.898 0.433 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.735 -0.236 -1.159 1.00 0.00 C ATOM 955 CZ PHE A 61 7.561 0.473 0.041 1.00 0.00 C ATOM 0 H PHE A 61 3.331 -2.905 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 61 2.613 -0.265 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.453 -0.973 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.870 0.642 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.195 0.970 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.743 -1.094 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.159 1.432 1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.721 -0.557 -1.462 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.415 0.691 0.665 1.00 0.00 H new ATOM 965 N HIS A 62 0.846 0.004 -2.816 1.00 0.00 N ATOM 966 CA HIS A 62 -0.309 0.112 -3.699 1.00 0.00 C ATOM 967 C HIS A 62 -0.659 1.592 -3.879 1.00 0.00 C ATOM 968 O HIS A 62 -0.315 2.409 -3.016 1.00 0.00 O ATOM 969 CB HIS A 62 -1.494 -0.682 -3.103 1.00 0.00 C ATOM 970 CG HIS A 62 -2.029 -0.235 -1.758 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.792 0.968 -1.125 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.877 -0.955 -0.956 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.448 0.965 0.044 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.099 -0.190 0.191 1.00 0.00 N ATOM 0 H HIS A 62 0.905 0.774 -2.150 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.082 -0.312 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.315 -0.649 -3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.190 -1.725 -3.014 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.216 1.729 -1.485 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.294 -1.928 -1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.449 1.775 0.758 1.00 0.00 H new ATOM 982 N CYS A 63 -1.330 1.943 -4.975 1.00 0.00 N ATOM 983 CA CYS A 63 -1.761 3.305 -5.276 1.00 0.00 C ATOM 984 C CYS A 63 -3.265 3.277 -5.580 1.00 0.00 C ATOM 985 O CYS A 63 -3.947 2.307 -5.238 1.00 0.00 O ATOM 986 CB CYS A 63 -0.885 3.935 -6.377 1.00 0.00 C ATOM 987 SG CYS A 63 -1.199 3.221 -8.019 1.00 0.00 S ATOM 0 H CYS A 63 -1.595 1.271 -5.695 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.620 3.963 -4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.069 5.009 -6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.166 3.799 -6.121 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.432 3.797 -8.896 1.00 0.00 H new ATOM 993 N GLN A 64 -3.810 4.352 -6.156 1.00 0.00 N ATOM 994 CA GLN A 64 -5.227 4.414 -6.493 1.00 0.00 C ATOM 995 C GLN A 64 -5.559 3.369 -7.564 1.00 0.00 C ATOM 996 O GLN A 64 -6.401 2.510 -7.315 1.00 0.00 O ATOM 997 CB GLN A 64 -5.604 5.833 -6.941 1.00 0.00 C ATOM 998 CG GLN A 64 -7.058 5.901 -7.434 1.00 0.00 C ATOM 999 CD GLN A 64 -7.424 7.306 -7.881 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -7.587 8.207 -7.069 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.608 7.536 -9.171 1.00 0.00 N ATOM 0 H GLN A 64 -3.285 5.193 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.820 4.181 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.468 6.526 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.933 6.154 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.196 5.206 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.730 5.584 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.472 6.785 -9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.886 8.465 -9.489 1.00 0.00 H new ATOM 1087 N SER A 70 5.439 0.125 -9.510 1.00 0.00 N ATOM 1088 CA SER A 70 6.566 -0.512 -10.218 1.00 0.00 C ATOM 1089 C SER A 70 7.570 0.471 -10.842 1.00 0.00 C ATOM 1090 O SER A 70 8.766 0.292 -10.643 1.00 0.00 O ATOM 1091 CB SER A 70 6.174 -1.683 -11.145 1.00 0.00 C ATOM 1092 OG SER A 70 4.925 -1.560 -11.793 1.00 0.00 O ATOM 0 HA SER A 70 7.124 -0.990 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.947 -1.795 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.169 -2.601 -10.558 1.00 0.00 H new ATOM 0 HG SER A 70 4.387 -0.878 -11.339 1.00 0.00 H new ATOM 1098 N ASN A 71 7.123 1.568 -11.454 1.00 0.00 N ATOM 1099 CA ASN A 71 7.900 2.625 -12.121 1.00 0.00 C ATOM 1100 C ASN A 71 9.044 3.263 -11.317 1.00 0.00 C ATOM 1101 O ASN A 71 9.738 4.140 -11.840 1.00 0.00 O ATOM 1102 CB ASN A 71 6.934 3.746 -12.558 1.00 0.00 C ATOM 1103 CG ASN A 71 6.817 3.885 -14.072 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.797 3.765 -14.798 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.628 4.143 -14.580 1.00 0.00 N ATOM 0 H ASN A 71 6.123 1.761 -11.502 1.00 0.00 H new ATOM 0 HA ASN A 71 8.391 2.118 -12.952 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.947 3.548 -12.141 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.274 4.693 -12.138 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.516 4.245 -15.589 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.821 4.240 -13.964 1.00 0.00 H new ATOM 1112 N ASN A 72 9.185 2.934 -10.031 1.00 0.00 N ATOM 1113 CA ASN A 72 10.220 3.432 -9.125 1.00 0.00 C ATOM 1114 C ASN A 72 10.731 2.306 -8.222 1.00 0.00 C ATOM 1115 O ASN A 72 11.294 2.596 -7.168 1.00 0.00 O ATOM 1116 CB ASN A 72 9.712 4.618 -8.280 1.00 0.00 C ATOM 1117 CG ASN A 72 9.397 5.832 -9.132 1.00 0.00 C ATOM 1118 OD1 ASN A 72 10.262 6.651 -9.428 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.151 5.996 -9.525 1.00 0.00 N ATOM 0 H ASN A 72 8.549 2.282 -9.572 1.00 0.00 H new ATOM 0 HA ASN A 72 11.048 3.793 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.818 4.317 -7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.465 4.882 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.895 6.811 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.442 5.308 -9.272 1.00 0.00 H new ATOM 1126 N ALA A 73 10.494 1.036 -8.571 1.00 0.00 N ATOM 1127 CA ALA A 73 10.909 -0.147 -7.823 1.00 0.00 C ATOM 1128 C ALA A 73 12.361 -0.086 -7.375 1.00 0.00 C ATOM 1129 O ALA A 73 12.667 -0.516 -6.270 1.00 0.00 O ATOM 1130 CB ALA A 73 10.722 -1.406 -8.681 1.00 0.00 C ATOM 0 H ALA A 73 9.984 0.799 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 73 10.280 -0.182 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.035 -2.283 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.672 -1.507 -8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.327 -1.324 -9.584 1.00 0.00 H new ATOM 1136 N ASP A 74 13.198 0.486 -8.231 1.00 0.00 N ATOM 1137 CA ASP A 74 14.635 0.670 -8.088 1.00 0.00 C ATOM 1138 C ASP A 74 14.963 1.266 -6.725 1.00 0.00 C ATOM 1139 O ASP A 74 15.695 0.677 -5.932 1.00 0.00 O ATOM 1140 CB ASP A 74 15.115 1.562 -9.242 1.00 0.00 C ATOM 1141 CG ASP A 74 16.583 1.383 -9.589 1.00 0.00 C ATOM 1142 OD1 ASP A 74 17.357 2.343 -9.418 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.913 0.358 -10.232 1.00 0.00 O ATOM 0 H ASP A 74 12.860 0.864 -9.116 1.00 0.00 H new ATOM 0 HA ASP A 74 15.155 -0.287 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.514 1.350 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.938 2.605 -8.980 1.00 0.00 H new ATOM 1148 N LYS A 75 14.355 2.417 -6.436 1.00 0.00 N ATOM 1149 CA LYS A 75 14.547 3.139 -5.186 1.00 0.00 C ATOM 1150 C LYS A 75 13.571 2.620 -4.146 1.00 0.00 C ATOM 1151 O LYS A 75 13.964 2.413 -3.011 1.00 0.00 O ATOM 1152 CB LYS A 75 14.421 4.668 -5.366 1.00 0.00 C ATOM 1153 CG LYS A 75 15.034 5.182 -6.681 1.00 0.00 C ATOM 1154 CD LYS A 75 13.956 5.246 -7.779 1.00 0.00 C ATOM 1155 CE LYS A 75 13.343 6.641 -7.973 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.086 7.372 -6.717 1.00 0.00 N ATOM 0 H LYS A 75 13.707 2.877 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 75 15.565 2.958 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.367 4.945 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.908 5.166 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.467 6.171 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.845 4.524 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.393 4.918 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.161 4.542 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.012 7.236 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.405 6.540 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.350 8.089 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.766 6.705 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.961 7.838 -6.401 1.00 0.00 H new ATOM 1170 N LEU A 76 12.308 2.363 -4.508 1.00 0.00 N ATOM 1171 CA LEU A 76 11.304 1.872 -3.554 1.00 0.00 C ATOM 1172 C LEU A 76 11.783 0.648 -2.783 1.00 0.00 C ATOM 1173 O LEU A 76 11.696 0.642 -1.553 1.00 0.00 O ATOM 1174 CB LEU A 76 9.961 1.544 -4.230 1.00 0.00 C ATOM 1175 CG LEU A 76 9.119 2.770 -4.598 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.879 2.319 -5.383 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.652 3.521 -3.337 1.00 0.00 C ATOM 0 H LEU A 76 11.956 2.487 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 76 11.154 2.693 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.155 0.968 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.380 0.906 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 76 9.736 3.437 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.278 3.190 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.191 1.805 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.286 1.641 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.057 4.386 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.048 2.856 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.521 3.853 -2.769 1.00 0.00 H new ATOM 1189 N ALA A 77 12.234 -0.393 -3.485 1.00 0.00 N ATOM 1190 CA ALA A 77 12.729 -1.601 -2.833 1.00 0.00 C ATOM 1191 C ALA A 77 13.952 -1.296 -1.957 1.00 0.00 C ATOM 1192 O ALA A 77 14.098 -1.907 -0.897 1.00 0.00 O ATOM 1193 CB ALA A 77 13.060 -2.660 -3.890 1.00 0.00 C ATOM 0 H ALA A 77 12.266 -0.421 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 77 11.949 -1.989 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.429 -3.561 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.162 -2.899 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.825 -2.274 -4.564 1.00 0.00 H new ATOM 1199 N ALA A 78 14.824 -0.372 -2.375 1.00 0.00 N ATOM 1200 CA ALA A 78 16.015 0.001 -1.622 1.00 0.00 C ATOM 1201 C ALA A 78 15.653 0.755 -0.334 1.00 0.00 C ATOM 1202 O ALA A 78 16.121 0.378 0.739 1.00 0.00 O ATOM 1203 CB ALA A 78 16.952 0.837 -2.500 1.00 0.00 C ATOM 0 H ALA A 78 14.718 0.138 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 78 16.532 -0.913 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.839 1.111 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.248 0.255 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.436 1.741 -2.825 1.00 0.00 H new ATOM 1209 N ILE A 79 14.810 1.789 -0.439 1.00 0.00 N ATOM 1210 CA ILE A 79 14.345 2.639 0.654 1.00 0.00 C ATOM 1211 C ILE A 79 13.715 1.776 1.755 1.00 0.00 C ATOM 1212 O ILE A 79 14.033 1.935 2.938 1.00 0.00 O ATOM 1213 CB ILE A 79 13.327 3.705 0.134 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.928 4.755 -0.829 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.759 4.481 1.334 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.862 5.466 -1.692 1.00 0.00 C ATOM 0 H ILE A 79 14.415 2.067 -1.338 1.00 0.00 H new ATOM 0 HA ILE A 79 15.200 3.171 1.072 1.00 0.00 H new ATOM 0 HB ILE A 79 12.574 3.142 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.474 5.500 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.651 4.268 -1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.047 5.227 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.255 3.789 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.572 4.977 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.347 6.190 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.332 4.729 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.153 5.981 -1.044 1.00 0.00 H new ATOM 1228 N ALA A 80 12.789 0.896 1.364 1.00 0.00 N ATOM 1229 CA ALA A 80 12.059 0.016 2.264 1.00 0.00 C ATOM 1230 C ALA A 80 12.920 -1.046 2.933 1.00 0.00 C ATOM 1231 O ALA A 80 12.706 -1.337 4.109 1.00 0.00 O ATOM 1232 CB ALA A 80 10.957 -0.667 1.474 1.00 0.00 C ATOM 0 H ALA A 80 12.524 0.777 0.386 1.00 0.00 H new ATOM 0 HA ALA A 80 11.667 0.640 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.397 -1.332 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.285 0.086 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.397 -1.245 0.662 1.00 0.00 H new ATOM 1238 N ALA A 81 13.847 -1.660 2.199 1.00 0.00 N ATOM 1239 CA ALA A 81 14.713 -2.672 2.777 1.00 0.00 C ATOM 1240 C ALA A 81 15.603 -2.015 3.855 1.00 0.00 C ATOM 1241 O ALA A 81 15.862 -0.809 3.760 1.00 0.00 O ATOM 1242 CB ALA A 81 15.542 -3.295 1.654 1.00 0.00 C ATOM 0 H ALA A 81 14.013 -1.472 1.210 1.00 0.00 H new ATOM 0 HA ALA A 81 14.136 -3.462 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.200 -4.059 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.877 -3.749 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.141 -2.522 1.172 1.00 0.00 H new ATOM 1248 N PRO A 82 16.146 -2.759 4.835 1.00 0.00 N ATOM 1249 CA PRO A 82 16.007 -4.197 5.041 1.00 0.00 C ATOM 1250 C PRO A 82 14.612 -4.559 5.546 1.00 0.00 C ATOM 1251 O PRO A 82 14.172 -4.077 6.591 1.00 0.00 O ATOM 1252 CB PRO A 82 17.070 -4.586 6.063 1.00 0.00 C ATOM 1253 CG PRO A 82 17.278 -3.300 6.854 1.00 0.00 C ATOM 1254 CD PRO A 82 17.047 -2.198 5.827 1.00 0.00 C ATOM 0 HA PRO A 82 16.139 -4.735 4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.734 -5.402 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 82 17.990 -4.916 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.577 -3.225 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.281 -3.249 7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.612 -1.314 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.986 -1.887 5.370 1.00 0.00 H new ATOM 1262 N ALA A 83 13.962 -5.434 4.782 1.00 0.00 N ATOM 1263 CA ALA A 83 12.641 -6.031 4.873 1.00 0.00 C ATOM 1264 C ALA A 83 12.253 -6.406 3.434 1.00 0.00 C ATOM 1265 O ALA A 83 12.931 -6.016 2.476 1.00 0.00 O ATOM 1266 CB ALA A 83 11.630 -5.087 5.527 1.00 0.00 C ATOM 0 H ALA A 83 14.434 -5.793 3.952 1.00 0.00 H new ATOM 0 HA ALA A 83 12.645 -6.912 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.656 -5.574 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.962 -4.840 6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.551 -4.174 4.937 1.00 0.00 H new ATOM 1272 N GLU A 84 11.177 -7.163 3.263 1.00 0.00 N ATOM 1273 CA GLU A 84 10.674 -7.599 1.965 1.00 0.00 C ATOM 1274 C GLU A 84 9.667 -6.569 1.444 1.00 0.00 C ATOM 1275 O GLU A 84 8.992 -5.914 2.246 1.00 0.00 O ATOM 1276 CB GLU A 84 10.049 -8.976 2.119 1.00 0.00 C ATOM 1277 CG GLU A 84 9.909 -9.748 0.810 1.00 0.00 C ATOM 1278 CD GLU A 84 11.241 -10.312 0.329 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.042 -9.547 -0.255 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.465 -11.525 0.523 1.00 0.00 O ATOM 0 H GLU A 84 10.614 -7.500 4.044 1.00 0.00 H new ATOM 0 HA GLU A 84 11.483 -7.672 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.654 -9.562 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.063 -8.867 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.199 -10.564 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.497 -9.090 0.045 1.00 0.00 H new ATOM 1287 N ILE A 85 9.524 -6.436 0.124 1.00 0.00 N ATOM 1288 CA ILE A 85 8.611 -5.495 -0.504 1.00 0.00 C ATOM 1289 C ILE A 85 7.904 -6.119 -1.704 1.00 0.00 C ATOM 1290 O ILE A 85 8.547 -6.705 -2.572 1.00 0.00 O ATOM 1291 CB ILE A 85 9.340 -4.230 -0.981 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.753 -4.495 -1.552 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.296 -3.109 0.048 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.886 -4.426 -0.516 1.00 0.00 C ATOM 0 H ILE A 85 10.053 -6.993 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 85 7.878 -5.229 0.258 1.00 0.00 H new ATOM 0 HB ILE A 85 8.771 -3.871 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.763 -5.481 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.954 -3.769 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.826 -2.239 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.259 -2.842 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.772 -3.443 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.839 -4.625 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.908 -3.433 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.715 -5.172 0.261 1.00 0.00 H new ATOM 1306 N PHE A 86 6.592 -5.913 -1.806 1.00 0.00 N ATOM 1307 CA PHE A 86 5.763 -6.405 -2.901 1.00 0.00 C ATOM 1308 C PHE A 86 4.906 -5.253 -3.428 1.00 0.00 C ATOM 1309 O PHE A 86 4.969 -4.126 -2.935 1.00 0.00 O ATOM 1310 CB PHE A 86 4.884 -7.586 -2.455 1.00 0.00 C ATOM 1311 CG PHE A 86 5.644 -8.771 -1.899 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.858 -8.876 -0.512 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.135 -9.766 -2.765 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.594 -9.957 0.003 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.880 -10.839 -2.251 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.119 -10.927 -0.869 1.00 0.00 C ATOM 0 H PHE A 86 6.064 -5.386 -1.111 1.00 0.00 H new ATOM 0 HA PHE A 86 6.408 -6.775 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.184 -7.234 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.291 -7.920 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.457 -8.127 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.939 -9.704 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.756 -10.042 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.269 -11.596 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.708 -11.742 -0.475 1.00 0.00 H new ATOM 1326 N LEU A 87 4.138 -5.524 -4.479 1.00 0.00 N ATOM 1327 CA LEU A 87 3.229 -4.577 -5.111 1.00 0.00 C ATOM 1328 C LEU A 87 1.869 -5.239 -5.191 1.00 0.00 C ATOM 1329 O LEU A 87 1.795 -6.465 -5.156 1.00 0.00 O ATOM 1330 CB LEU A 87 3.685 -4.234 -6.541 1.00 0.00 C ATOM 1331 CG LEU A 87 4.818 -3.209 -6.605 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.345 -3.102 -8.035 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.330 -1.822 -6.187 1.00 0.00 C ATOM 0 H LEU A 87 4.132 -6.440 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 87 3.205 -3.657 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.009 -5.149 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.832 -3.852 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 87 5.601 -3.545 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.152 -2.370 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.721 -4.073 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.539 -2.787 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.157 -1.114 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.531 -1.501 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.954 -1.862 -5.165 1.00 0.00 H new ATOM 1345 N LEU A 88 0.816 -4.437 -5.290 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.551 -4.917 -5.422 1.00 0.00 C ATOM 1347 C LEU A 88 -0.873 -4.885 -6.918 1.00 0.00 C ATOM 1348 O LEU A 88 -0.288 -4.075 -7.643 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.475 -4.025 -4.587 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.924 -4.550 -4.539 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.471 -4.460 -3.119 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.839 -3.743 -5.464 1.00 0.00 C ATOM 0 H LEU A 88 0.891 -3.420 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.688 -5.932 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.085 -3.954 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.472 -3.017 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.905 -5.588 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.495 -4.834 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.852 -5.061 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.458 -3.421 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.853 -4.138 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.839 -2.698 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.477 -3.818 -6.489 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.829 -5.705 -7.359 1.00 0.00 N ATOM 1365 CA GLU A 89 -2.265 -5.840 -8.745 1.00 0.00 C ATOM 1366 C GLU A 89 -2.443 -4.500 -9.475 1.00 0.00 C ATOM 1367 O GLU A 89 -1.638 -4.181 -10.348 1.00 0.00 O ATOM 1368 CB GLU A 89 -3.538 -6.696 -8.810 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.758 -7.185 -10.252 1.00 0.00 C ATOM 1370 CD GLU A 89 -5.214 -7.242 -10.708 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -5.540 -8.154 -11.497 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -5.995 -6.304 -10.419 1.00 0.00 O ATOM 0 H GLU A 89 -2.342 -6.320 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.462 -6.346 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.450 -7.548 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.397 -6.114 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.208 -6.530 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.325 -8.180 -10.350 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.451 -3.691 -9.130 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.687 -2.403 -9.791 1.00 0.00 C ATOM 1381 C ASP A 90 -3.885 -1.257 -8.809 1.00 0.00 C ATOM 1382 O ASP A 90 -3.235 -0.220 -8.959 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.864 -2.492 -10.763 1.00 0.00 C ATOM 1384 CG ASP A 90 -4.999 -1.182 -11.538 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -4.164 -0.922 -12.436 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -5.963 -0.431 -11.303 1.00 0.00 O ATOM 0 H ASP A 90 -4.120 -3.908 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.782 -2.178 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.713 -3.320 -11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.784 -2.697 -10.216 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.716 -1.417 -7.773 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.928 -0.338 -6.822 1.00 0.00 C ATOM 1393 C GLY A 91 -6.100 -0.580 -5.880 1.00 0.00 C ATOM 1394 O GLY A 91 -6.570 -1.710 -5.726 1.00 0.00 O ATOM 0 H GLY A 91 -5.241 -2.270 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.021 -0.200 -6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.097 0.590 -7.369 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.541 0.482 -5.206 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.638 0.499 -4.232 1.00 0.00 C ATOM 1400 C ILE A 92 -8.943 0.000 -4.865 1.00 0.00 C ATOM 1401 O ILE A 92 -9.736 -0.671 -4.207 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.719 1.913 -3.599 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.210 1.944 -2.136 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.458 2.954 -4.452 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.587 1.371 -1.821 1.00 0.00 C ATOM 0 H ILE A 92 -6.122 1.404 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.449 -0.201 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.671 2.212 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.480 1.407 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.199 2.982 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.466 3.912 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.951 3.066 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.483 2.625 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.785 1.467 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.345 1.918 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.616 0.318 -2.103 1.00 0.00 H new ATOM 1417 N ASP A 93 -9.142 0.256 -6.162 1.00 0.00 N ATOM 1418 CA ASP A 93 -10.342 -0.174 -6.879 1.00 0.00 C ATOM 1419 C ASP A 93 -10.505 -1.695 -6.773 1.00 0.00 C ATOM 1420 O ASP A 93 -11.595 -2.199 -6.509 1.00 0.00 O ATOM 1421 CB ASP A 93 -10.272 0.297 -8.337 1.00 0.00 C ATOM 1422 CG ASP A 93 -11.611 0.134 -9.060 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -12.664 0.473 -8.478 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.612 -0.246 -10.255 1.00 0.00 O ATOM 0 H ASP A 93 -8.476 0.766 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.223 0.279 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.971 1.344 -8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.505 -0.270 -8.864 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.399 -2.434 -6.917 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.389 -3.886 -6.824 1.00 0.00 C ATOM 1431 C GLY A 94 -9.698 -4.330 -5.395 1.00 0.00 C ATOM 1432 O GLY A 94 -10.496 -5.248 -5.202 1.00 0.00 O ATOM 0 H GLY A 94 -8.481 -2.031 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.125 -4.306 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.415 -4.270 -7.128 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.103 -3.662 -4.394 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.310 -3.962 -2.975 1.00 0.00 C ATOM 1438 C TRP A 95 -10.813 -3.964 -2.683 1.00 0.00 C ATOM 1439 O TRP A 95 -11.366 -4.917 -2.128 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.601 -2.926 -2.087 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.481 -3.320 -0.648 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.400 -3.150 0.332 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.353 -3.982 -0.018 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.915 -3.682 1.515 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.677 -4.265 1.336 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.088 -4.380 -0.483 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.806 -4.988 2.164 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.195 -5.082 0.346 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.563 -5.405 1.664 1.00 0.00 C ATOM 0 H TRP A 95 -8.457 -2.889 -4.553 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.887 -4.941 -2.751 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.603 -2.747 -2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.143 -1.982 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.362 -2.674 0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.410 -3.647 2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.796 -4.142 -1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.090 -5.222 3.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.225 -5.373 -0.030 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.891 -5.973 2.290 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.482 -2.883 -3.094 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.911 -2.713 -2.901 1.00 0.00 C ATOM 1462 C LYS A 96 -13.709 -3.739 -3.690 1.00 0.00 C ATOM 1463 O LYS A 96 -14.603 -4.359 -3.118 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.334 -1.294 -3.273 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.744 -0.268 -2.297 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.433 1.091 -2.432 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.807 1.013 -1.756 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.761 1.983 -2.315 1.00 0.00 N ATOM 0 H LYS A 96 -11.037 -2.100 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.126 -2.875 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.005 -1.067 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.422 -1.222 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.851 -0.632 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.676 -0.157 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.827 1.870 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.543 1.356 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.208 0.006 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.694 1.193 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.675 1.892 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.393 2.947 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.891 1.797 -3.330 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.400 -3.960 -4.972 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.131 -4.931 -5.792 1.00 0.00 C ATOM 1484 C LYS A 97 -14.047 -6.339 -5.220 1.00 0.00 C ATOM 1485 O LYS A 97 -14.980 -7.120 -5.400 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.618 -4.912 -7.230 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.120 -3.675 -7.988 1.00 0.00 C ATOM 1488 CD LYS A 97 -13.406 -3.543 -9.333 1.00 0.00 C ATOM 1489 CE LYS A 97 -13.770 -4.710 -10.257 1.00 0.00 C ATOM 1490 NZ LYS A 97 -13.015 -4.662 -11.518 1.00 0.00 N ATOM 0 H LYS A 97 -12.648 -3.479 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.180 -4.636 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.528 -4.922 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.945 -5.814 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.196 -3.751 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.948 -2.780 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.681 -2.600 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.327 -3.519 -9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.569 -5.653 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.838 -4.685 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.288 -5.467 -12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.226 -3.773 -12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.996 -4.712 -11.315 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.951 -6.693 -4.548 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.799 -8.007 -3.938 1.00 0.00 C ATOM 1506 C ALA A 98 -13.742 -8.162 -2.741 1.00 0.00 C ATOM 1507 O ALA A 98 -13.966 -9.279 -2.280 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.357 -8.180 -3.484 1.00 0.00 C ATOM 0 H ALA A 98 -12.149 -6.077 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.052 -8.771 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.235 -9.162 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.692 -8.095 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.109 -7.407 -2.757 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.287 -7.055 -2.231 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.205 -7.009 -1.109 1.00 0.00 C ATOM 1516 C GLY A 99 -14.500 -6.790 0.228 1.00 0.00 C ATOM 1517 O GLY A 99 -15.121 -6.989 1.277 1.00 0.00 O ATOM 0 H GLY A 99 -14.087 -6.130 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.926 -6.208 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.768 -7.941 -1.068 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.206 -6.452 0.215 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.439 -6.203 1.432 1.00 0.00 C ATOM 1523 C LEU A 100 -12.943 -4.878 2.050 1.00 0.00 C ATOM 1524 O LEU A 100 -13.504 -4.036 1.335 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.933 -6.167 1.110 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.329 -7.454 0.507 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.852 -7.255 0.153 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.394 -8.634 1.474 1.00 0.00 C ATOM 0 H LEU A 100 -12.664 -6.344 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.582 -7.004 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.752 -5.347 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.393 -5.933 2.028 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.924 -7.668 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.452 -8.177 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.758 -6.450 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.294 -6.996 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.957 -9.515 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.838 -8.393 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.434 -8.838 1.730 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.770 -4.657 3.365 1.00 0.00 N ATOM 1541 CA PRO A 101 -13.236 -3.444 4.031 1.00 0.00 C ATOM 1542 C PRO A 101 -12.385 -2.202 3.732 1.00 0.00 C ATOM 1543 O PRO A 101 -11.315 -2.273 3.125 1.00 0.00 O ATOM 1544 CB PRO A 101 -13.245 -3.799 5.518 1.00 0.00 C ATOM 1545 CG PRO A 101 -12.118 -4.818 5.657 1.00 0.00 C ATOM 1546 CD PRO A 101 -12.135 -5.558 4.317 1.00 0.00 C ATOM 0 HA PRO A 101 -14.222 -3.156 3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.069 -2.921 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.204 -4.219 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.158 -4.333 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.292 -5.497 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.124 -5.811 3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.688 -6.494 4.396 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.877 -1.051 4.199 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.275 0.272 4.056 1.00 0.00 C ATOM 1556 C VAL A 102 -12.345 1.041 5.379 1.00 0.00 C ATOM 1557 O VAL A 102 -13.141 0.729 6.264 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.961 1.081 2.934 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.373 0.742 1.559 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.482 0.913 2.896 1.00 0.00 C ATOM 0 H VAL A 102 -13.756 -1.019 4.716 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.229 0.133 3.784 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.758 2.125 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.879 1.329 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.308 0.975 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.514 -0.319 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.894 1.511 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.728 -0.137 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.909 1.245 3.842 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.507 2.065 5.504 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.373 2.963 6.632 1.00 0.00 C ATOM 1572 C ALA A 103 -12.174 4.231 6.324 1.00 0.00 C ATOM 1573 O ALA A 103 -11.612 5.307 6.114 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.886 3.259 6.861 1.00 0.00 C ATOM 0 H ALA A 103 -10.855 2.302 4.756 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.764 2.521 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.776 3.935 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.357 2.328 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.466 3.724 5.969 1.00 0.00 H new