USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -2.35 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 165:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -118:sc= -0.22 (180deg=-0.445) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.264 USER MOD Single : A 46 HIS : no HD1:sc= -1 X(o=-1,f=-0.69) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= -1.23 (180deg=-1.24) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 27:sc= 0.766 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 64 ASN : amide:sc= -0.299 K(o=-0.3,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.88! X(o=-1.9!,f=-1.5) USER MOD Single : A 85 SER OG : rot 76:sc= 1.21 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 96 HIS : no HE2:sc= -5.82! C(o=-5.8!,f=-7.6!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 SER OG : rot 150:sc= -0.141 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 14.066 7.008 5.567 1.00 0.00 N ATOM 67 CA PRO A 8 14.044 7.005 4.101 1.00 0.00 C ATOM 68 C PRO A 8 12.932 7.883 3.537 1.00 0.00 C ATOM 69 O PRO A 8 12.007 8.286 4.242 1.00 0.00 O ATOM 70 CB PRO A 8 13.793 5.535 3.753 1.00 0.00 C ATOM 71 CG PRO A 8 13.092 4.979 4.944 1.00 0.00 C ATOM 72 CD PRO A 8 13.645 5.715 6.132 1.00 0.00 C ATOM 0 HA PRO A 8 14.965 7.406 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.184 5.439 2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.728 5.008 3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.014 5.121 4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.266 3.907 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.893 5.843 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.482 5.181 6.581 1.00 0.00 H new ATOM 80 N PRO A 9 13.022 8.188 2.233 1.00 0.00 N ATOM 81 CA PRO A 9 12.031 9.021 1.545 1.00 0.00 C ATOM 82 C PRO A 9 10.689 8.315 1.388 1.00 0.00 C ATOM 83 O PRO A 9 10.636 7.117 1.114 1.00 0.00 O ATOM 84 CB PRO A 9 12.668 9.271 0.176 1.00 0.00 C ATOM 85 CG PRO A 9 13.584 8.115 -0.032 1.00 0.00 C ATOM 86 CD PRO A 9 14.097 7.743 1.331 1.00 0.00 C ATOM 0 HA PRO A 9 11.808 9.933 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.913 9.324 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.212 10.215 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.058 7.279 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.404 8.382 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.274 6.671 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.041 8.240 1.555 1.00 0.00 H new ATOM 94 N ALA A 10 9.606 9.066 1.564 1.00 0.00 N ATOM 95 CA ALA A 10 8.264 8.513 1.439 1.00 0.00 C ATOM 96 C ALA A 10 8.065 7.858 0.076 1.00 0.00 C ATOM 97 O ALA A 10 8.108 8.526 -0.957 1.00 0.00 O ATOM 98 CB ALA A 10 7.222 9.599 1.662 1.00 0.00 C ATOM 0 H ALA A 10 9.633 10.059 1.794 1.00 0.00 H new ATOM 0 HA ALA A 10 8.142 7.746 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.224 9.171 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.342 10.019 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.352 10.386 0.920 1.00 0.00 H new ATOM 104 N VAL A 11 7.847 6.547 0.080 1.00 0.00 N ATOM 105 CA VAL A 11 7.641 5.802 -1.156 1.00 0.00 C ATOM 106 C VAL A 11 6.898 6.644 -2.188 1.00 0.00 C ATOM 107 O VAL A 11 5.881 7.265 -1.881 1.00 0.00 O ATOM 108 CB VAL A 11 6.851 4.504 -0.904 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.650 3.740 -2.204 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.561 3.640 0.127 1.00 0.00 C ATOM 0 H VAL A 11 7.808 5.979 0.926 1.00 0.00 H new ATOM 0 HA VAL A 11 8.629 5.548 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 11 5.870 4.768 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.090 2.826 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.095 4.360 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.620 3.486 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.989 2.727 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.556 3.384 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.647 4.189 1.065 1.00 0.00 H new ATOM 120 N SER A 12 7.414 6.659 -3.413 1.00 0.00 N ATOM 121 CA SER A 12 6.801 7.428 -4.490 1.00 0.00 C ATOM 122 C SER A 12 6.589 6.558 -5.725 1.00 0.00 C ATOM 123 O SER A 12 6.954 5.382 -5.740 1.00 0.00 O ATOM 124 CB SER A 12 7.674 8.633 -4.845 1.00 0.00 C ATOM 125 OG SER A 12 8.817 8.236 -5.583 1.00 0.00 O ATOM 0 H SER A 12 8.254 6.148 -3.684 1.00 0.00 H new ATOM 0 HA SER A 12 5.830 7.781 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.092 9.348 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.985 9.142 -3.933 1.00 0.00 H new ATOM 0 HG SER A 12 9.357 9.025 -5.799 1.00 0.00 H new ATOM 131 N ASP A 13 5.998 7.145 -6.760 1.00 0.00 N ATOM 132 CA ASP A 13 5.737 6.425 -8.001 1.00 0.00 C ATOM 133 C ASP A 13 5.135 5.053 -7.717 1.00 0.00 C ATOM 134 O ASP A 13 5.636 4.034 -8.194 1.00 0.00 O ATOM 135 CB ASP A 13 7.028 6.273 -8.808 1.00 0.00 C ATOM 136 CG ASP A 13 7.302 7.472 -9.693 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.709 7.549 -10.789 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.110 8.335 -9.289 1.00 0.00 O ATOM 0 H ASP A 13 5.691 8.118 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 13 5.019 7.003 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.865 6.130 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.964 5.377 -9.425 1.00 0.00 H new ATOM 143 N ILE A 14 4.059 5.034 -6.938 1.00 0.00 N ATOM 144 CA ILE A 14 3.389 3.787 -6.591 1.00 0.00 C ATOM 145 C ILE A 14 2.301 3.447 -7.604 1.00 0.00 C ATOM 146 O ILE A 14 1.353 4.209 -7.791 1.00 0.00 O ATOM 147 CB ILE A 14 2.763 3.856 -5.185 1.00 0.00 C ATOM 148 CG1 ILE A 14 3.822 4.239 -4.150 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.119 2.525 -4.826 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.252 4.926 -2.928 1.00 0.00 C ATOM 0 H ILE A 14 3.632 5.868 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 14 4.150 3.006 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 14 1.989 4.623 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.354 3.341 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.555 4.897 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.681 2.590 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.339 2.291 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.875 1.740 -4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.059 5.169 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.745 5.842 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.541 4.262 -2.436 1.00 0.00 H new ATOM 162 N ARG A 15 2.444 2.296 -8.253 1.00 0.00 N ATOM 163 CA ARG A 15 1.473 1.854 -9.247 1.00 0.00 C ATOM 164 C ARG A 15 0.951 0.460 -8.914 1.00 0.00 C ATOM 165 O ARG A 15 1.541 -0.260 -8.109 1.00 0.00 O ATOM 166 CB ARG A 15 2.102 1.856 -10.642 1.00 0.00 C ATOM 167 CG ARG A 15 3.175 0.795 -10.827 1.00 0.00 C ATOM 168 CD ARG A 15 3.510 0.592 -12.296 1.00 0.00 C ATOM 169 NE ARG A 15 4.545 1.515 -12.754 1.00 0.00 N ATOM 170 CZ ARG A 15 4.741 1.826 -14.030 1.00 0.00 C ATOM 171 NH1 ARG A 15 3.975 1.291 -14.971 1.00 0.00 N ATOM 172 NH2 ARG A 15 5.704 2.675 -14.368 1.00 0.00 N ATOM 0 H ARG A 15 3.222 1.653 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 15 0.634 2.550 -9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.319 1.702 -11.385 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.536 2.837 -10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.074 1.087 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.835 -0.147 -10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.844 -0.434 -12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.610 0.730 -12.895 1.00 0.00 H new ATOM 0 HE ARG A 15 5.151 1.945 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.233 0.639 -14.715 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.127 1.531 -15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.295 3.089 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.853 2.913 -15.349 1.00 0.00 H new ATOM 186 N VAL A 16 -0.162 0.086 -9.539 1.00 0.00 N ATOM 187 CA VAL A 16 -0.764 -1.222 -9.310 1.00 0.00 C ATOM 188 C VAL A 16 -0.773 -2.054 -10.587 1.00 0.00 C ATOM 189 O VAL A 16 -1.484 -1.740 -11.542 1.00 0.00 O ATOM 190 CB VAL A 16 -2.206 -1.092 -8.785 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.811 -2.466 -8.540 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.236 -0.253 -7.516 1.00 0.00 C ATOM 0 H VAL A 16 -0.664 0.670 -10.207 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.155 -1.723 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.806 -0.587 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.830 -2.354 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.824 -3.029 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.213 -3.000 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.262 -0.171 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.622 -0.728 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.845 0.742 -7.728 1.00 0.00 H new ATOM 202 N THR A 17 0.022 -3.120 -10.599 1.00 0.00 N ATOM 203 CA THR A 17 0.106 -3.998 -11.759 1.00 0.00 C ATOM 204 C THR A 17 -0.641 -5.304 -11.516 1.00 0.00 C ATOM 205 O THR A 17 -0.962 -5.643 -10.377 1.00 0.00 O ATOM 206 CB THR A 17 1.570 -4.316 -12.117 1.00 0.00 C ATOM 207 OG1 THR A 17 1.621 -5.120 -13.301 1.00 0.00 O ATOM 208 CG2 THR A 17 2.261 -5.044 -10.974 1.00 0.00 C ATOM 0 H THR A 17 0.617 -3.396 -9.818 1.00 0.00 H new ATOM 0 HA THR A 17 -0.357 -3.468 -12.591 1.00 0.00 H new ATOM 0 HB THR A 17 2.090 -3.375 -12.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.555 -5.316 -13.523 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.294 -5.258 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.246 -4.418 -10.082 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.739 -5.979 -10.770 1.00 0.00 H new ATOM 216 N ARG A 18 -0.914 -6.034 -12.592 1.00 0.00 N ATOM 217 CA ARG A 18 -1.624 -7.303 -12.495 1.00 0.00 C ATOM 218 C ARG A 18 -2.958 -7.126 -11.776 1.00 0.00 C ATOM 219 O ARG A 18 -3.320 -7.924 -10.912 1.00 0.00 O ATOM 220 CB ARG A 18 -0.769 -8.335 -11.757 1.00 0.00 C ATOM 221 CG ARG A 18 0.164 -9.116 -12.669 1.00 0.00 C ATOM 222 CD ARG A 18 1.276 -9.792 -11.881 1.00 0.00 C ATOM 223 NE ARG A 18 2.077 -10.681 -12.718 1.00 0.00 N ATOM 224 CZ ARG A 18 3.007 -10.253 -13.564 1.00 0.00 C ATOM 225 NH1 ARG A 18 3.252 -8.955 -13.684 1.00 0.00 N ATOM 226 NH2 ARG A 18 3.696 -11.123 -14.292 1.00 0.00 N ATOM 0 H ARG A 18 -0.654 -5.768 -13.542 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.820 -7.659 -13.506 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.178 -7.827 -10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.425 -9.034 -11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.405 -9.868 -13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.598 -8.444 -13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.920 -9.032 -11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.843 -10.361 -11.058 1.00 0.00 H new ATOM 0 HE ARG A 18 1.913 -11.685 -12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.726 -8.283 -13.126 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.967 -8.629 -14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.512 -12.122 -14.202 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.410 -10.792 -14.941 1.00 0.00 H new ATOM 240 N SER A 19 -3.685 -6.074 -12.140 1.00 0.00 N ATOM 241 CA SER A 19 -4.977 -5.790 -11.527 1.00 0.00 C ATOM 242 C SER A 19 -5.815 -7.059 -11.411 1.00 0.00 C ATOM 243 O SER A 19 -5.775 -7.925 -12.285 1.00 0.00 O ATOM 244 CB SER A 19 -5.733 -4.739 -12.344 1.00 0.00 C ATOM 245 OG SER A 19 -5.820 -5.119 -13.706 1.00 0.00 O ATOM 0 H SER A 19 -3.401 -5.405 -12.856 1.00 0.00 H new ATOM 0 HA SER A 19 -4.798 -5.401 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.735 -4.607 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.227 -3.777 -12.263 1.00 0.00 H new ATOM 0 HG SER A 19 -6.309 -4.433 -14.207 1.00 0.00 H new ATOM 251 N SER A 20 -6.574 -7.163 -10.325 1.00 0.00 N ATOM 252 CA SER A 20 -7.420 -8.328 -10.091 1.00 0.00 C ATOM 253 C SER A 20 -8.810 -7.905 -9.627 1.00 0.00 C ATOM 254 O SER A 20 -9.026 -6.783 -9.169 1.00 0.00 O ATOM 255 CB SER A 20 -6.780 -9.248 -9.050 1.00 0.00 C ATOM 256 OG SER A 20 -5.937 -10.206 -9.665 1.00 0.00 O ATOM 0 H SER A 20 -6.621 -6.454 -9.593 1.00 0.00 H new ATOM 0 HA SER A 20 -7.519 -8.870 -11.032 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.204 -8.654 -8.341 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.559 -9.756 -8.481 1.00 0.00 H new ATOM 0 HG SER A 20 -5.418 -10.674 -8.978 1.00 0.00 H new ATOM 262 N PRO A 21 -9.778 -8.826 -9.748 1.00 0.00 N ATOM 263 CA PRO A 21 -11.165 -8.573 -9.346 1.00 0.00 C ATOM 264 C PRO A 21 -11.321 -8.467 -7.833 1.00 0.00 C ATOM 265 O PRO A 21 -11.965 -7.548 -7.329 1.00 0.00 O ATOM 266 CB PRO A 21 -11.916 -9.798 -9.876 1.00 0.00 C ATOM 267 CG PRO A 21 -10.887 -10.872 -9.948 1.00 0.00 C ATOM 268 CD PRO A 21 -9.593 -10.184 -10.286 1.00 0.00 C ATOM 0 HA PRO A 21 -11.536 -7.625 -9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.734 -10.078 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.352 -9.602 -10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.810 -11.403 -8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.146 -11.610 -10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.740 -10.685 -9.828 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.415 -10.169 -11.361 1.00 0.00 H new ATOM 276 N SER A 22 -10.726 -9.414 -7.114 1.00 0.00 N ATOM 277 CA SER A 22 -10.801 -9.428 -5.658 1.00 0.00 C ATOM 278 C SER A 22 -9.407 -9.370 -5.041 1.00 0.00 C ATOM 279 O SER A 22 -9.118 -10.065 -4.067 1.00 0.00 O ATOM 280 CB SER A 22 -11.533 -10.682 -5.176 1.00 0.00 C ATOM 281 OG SER A 22 -12.930 -10.460 -5.100 1.00 0.00 O ATOM 0 H SER A 22 -10.187 -10.181 -7.516 1.00 0.00 H new ATOM 0 HA SER A 22 -11.357 -8.546 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.330 -11.509 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.154 -10.974 -4.196 1.00 0.00 H new ATOM 0 HG SER A 22 -13.375 -11.277 -4.791 1.00 0.00 H new ATOM 287 N SER A 23 -8.546 -8.537 -5.617 1.00 0.00 N ATOM 288 CA SER A 23 -7.180 -8.390 -5.127 1.00 0.00 C ATOM 289 C SER A 23 -6.443 -7.295 -5.893 1.00 0.00 C ATOM 290 O SER A 23 -6.819 -6.944 -7.012 1.00 0.00 O ATOM 291 CB SER A 23 -6.425 -9.715 -5.256 1.00 0.00 C ATOM 292 OG SER A 23 -6.564 -10.257 -6.558 1.00 0.00 O ATOM 0 H SER A 23 -8.770 -7.954 -6.423 1.00 0.00 H new ATOM 0 HA SER A 23 -7.225 -8.106 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.369 -9.558 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.803 -10.425 -4.521 1.00 0.00 H new ATOM 0 HG SER A 23 -6.071 -11.102 -6.615 1.00 0.00 H new ATOM 298 N LEU A 24 -5.393 -6.760 -5.281 1.00 0.00 N ATOM 299 CA LEU A 24 -4.602 -5.704 -5.903 1.00 0.00 C ATOM 300 C LEU A 24 -3.127 -5.842 -5.539 1.00 0.00 C ATOM 301 O LEU A 24 -2.765 -5.845 -4.362 1.00 0.00 O ATOM 302 CB LEU A 24 -5.119 -4.330 -5.472 1.00 0.00 C ATOM 303 CG LEU A 24 -6.613 -4.081 -5.677 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.055 -2.837 -4.922 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.933 -3.950 -7.159 1.00 0.00 C ATOM 0 H LEU A 24 -5.069 -7.040 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.701 -5.800 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.890 -4.193 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.565 -3.567 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.162 -4.935 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.121 -2.675 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.861 -2.969 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.499 -1.973 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.001 -3.773 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.374 -3.114 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.654 -4.869 -7.674 1.00 0.00 H new ATOM 317 N SER A 25 -2.279 -5.954 -6.557 1.00 0.00 N ATOM 318 CA SER A 25 -0.843 -6.094 -6.344 1.00 0.00 C ATOM 319 C SER A 25 -0.157 -4.732 -6.359 1.00 0.00 C ATOM 320 O SER A 25 -0.201 -4.013 -7.358 1.00 0.00 O ATOM 321 CB SER A 25 -0.233 -6.998 -7.417 1.00 0.00 C ATOM 322 OG SER A 25 1.172 -7.094 -7.264 1.00 0.00 O ATOM 0 H SER A 25 -2.562 -5.951 -7.537 1.00 0.00 H new ATOM 0 HA SER A 25 -0.688 -6.548 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.677 -7.991 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.468 -6.604 -8.406 1.00 0.00 H new ATOM 0 HG SER A 25 1.538 -7.678 -7.961 1.00 0.00 H new ATOM 328 N LEU A 26 0.478 -4.384 -5.246 1.00 0.00 N ATOM 329 CA LEU A 26 1.175 -3.108 -5.129 1.00 0.00 C ATOM 330 C LEU A 26 2.669 -3.278 -5.387 1.00 0.00 C ATOM 331 O LEU A 26 3.249 -4.316 -5.071 1.00 0.00 O ATOM 332 CB LEU A 26 0.951 -2.507 -3.740 1.00 0.00 C ATOM 333 CG LEU A 26 -0.505 -2.380 -3.291 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.578 -1.960 -1.831 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.250 -1.387 -4.171 1.00 0.00 C ATOM 0 H LEU A 26 0.525 -4.968 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 26 0.770 -2.431 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.483 -3.119 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.405 -1.516 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.983 -3.354 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.622 -1.875 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.081 -2.707 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.084 -0.997 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.285 -1.309 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.772 -0.410 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.228 -1.729 -5.206 1.00 0.00 H new ATOM 347 N ALA A 27 3.285 -2.251 -5.963 1.00 0.00 N ATOM 348 CA ALA A 27 4.712 -2.285 -6.259 1.00 0.00 C ATOM 349 C ALA A 27 5.254 -0.882 -6.509 1.00 0.00 C ATOM 350 O ALA A 27 4.753 -0.156 -7.367 1.00 0.00 O ATOM 351 CB ALA A 27 4.980 -3.178 -7.462 1.00 0.00 C ATOM 0 H ALA A 27 2.818 -1.385 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 27 5.228 -2.697 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.049 -3.194 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.637 -4.190 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.446 -2.790 -8.329 1.00 0.00 H new ATOM 357 N TRP A 28 6.280 -0.506 -5.753 1.00 0.00 N ATOM 358 CA TRP A 28 6.889 0.812 -5.892 1.00 0.00 C ATOM 359 C TRP A 28 8.312 0.699 -6.428 1.00 0.00 C ATOM 360 O TRP A 28 8.876 -0.393 -6.493 1.00 0.00 O ATOM 361 CB TRP A 28 6.894 1.539 -4.546 1.00 0.00 C ATOM 362 CG TRP A 28 7.023 0.615 -3.373 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.046 0.574 -2.470 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.095 -0.401 -2.977 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.811 -0.407 -1.537 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.621 -1.019 -1.825 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.872 -0.849 -3.482 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.964 -2.060 -1.174 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.221 -1.882 -2.835 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.768 -2.478 -1.690 1.00 0.00 C ATOM 0 H TRP A 28 6.707 -1.095 -5.038 1.00 0.00 H new ATOM 0 HA TRP A 28 6.296 1.386 -6.604 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.718 2.253 -4.530 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.973 2.113 -4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.913 1.218 -2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.424 -0.641 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.443 -0.396 -4.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.384 -2.521 -0.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.275 -2.236 -3.218 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.235 -3.283 -1.206 1.00 0.00 H new ATOM 381 N ALA A 29 8.887 1.834 -6.812 1.00 0.00 N ATOM 382 CA ALA A 29 10.245 1.862 -7.340 1.00 0.00 C ATOM 383 C ALA A 29 11.263 2.091 -6.228 1.00 0.00 C ATOM 384 O ALA A 29 11.279 3.147 -5.595 1.00 0.00 O ATOM 385 CB ALA A 29 10.374 2.941 -8.406 1.00 0.00 C ATOM 0 H ALA A 29 8.433 2.746 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 29 10.452 0.892 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.393 2.951 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.680 2.733 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.141 3.913 -7.970 1.00 0.00 H new ATOM 391 N VAL A 30 12.110 1.094 -5.993 1.00 0.00 N ATOM 392 CA VAL A 30 13.132 1.187 -4.957 1.00 0.00 C ATOM 393 C VAL A 30 13.726 2.590 -4.895 1.00 0.00 C ATOM 394 O VAL A 30 14.584 2.963 -5.696 1.00 0.00 O ATOM 395 CB VAL A 30 14.265 0.171 -5.193 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.340 0.313 -4.127 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.712 -1.246 -5.219 1.00 0.00 C ATOM 0 H VAL A 30 12.109 0.212 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 30 12.643 0.961 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 30 14.719 0.377 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.132 -0.413 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.756 1.320 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.904 0.134 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.526 -1.951 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.231 -1.467 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.982 -1.337 -6.023 1.00 0.00 H new ATOM 407 N PRO A 31 13.261 3.387 -3.922 1.00 0.00 N ATOM 408 CA PRO A 31 13.734 4.762 -3.732 1.00 0.00 C ATOM 409 C PRO A 31 15.171 4.815 -3.224 1.00 0.00 C ATOM 410 O PRO A 31 15.727 3.803 -2.798 1.00 0.00 O ATOM 411 CB PRO A 31 12.774 5.324 -2.681 1.00 0.00 C ATOM 412 CG PRO A 31 12.289 4.131 -1.933 1.00 0.00 C ATOM 413 CD PRO A 31 12.239 3.008 -2.933 1.00 0.00 C ATOM 0 HA PRO A 31 13.742 5.324 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.279 6.027 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.948 5.862 -3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.958 3.889 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.305 4.314 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.464 2.047 -2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.253 2.919 -3.388 1.00 0.00 H new ATOM 421 N ARG A 32 15.767 6.002 -3.272 1.00 0.00 N ATOM 422 CA ARG A 32 17.140 6.187 -2.817 1.00 0.00 C ATOM 423 C ARG A 32 17.184 6.453 -1.315 1.00 0.00 C ATOM 424 O ARG A 32 16.856 7.548 -0.859 1.00 0.00 O ATOM 425 CB ARG A 32 17.797 7.345 -3.570 1.00 0.00 C ATOM 426 CG ARG A 32 17.084 8.674 -3.387 1.00 0.00 C ATOM 427 CD ARG A 32 17.329 9.605 -4.564 1.00 0.00 C ATOM 428 NE ARG A 32 16.616 10.871 -4.419 1.00 0.00 N ATOM 429 CZ ARG A 32 17.063 11.887 -3.690 1.00 0.00 C ATOM 430 NH1 ARG A 32 18.216 11.787 -3.044 1.00 0.00 N ATOM 431 NH2 ARG A 32 16.357 13.007 -3.606 1.00 0.00 N ATOM 0 H ARG A 32 15.321 6.850 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 32 17.691 5.269 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.829 7.447 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.830 7.104 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.014 8.501 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.428 9.149 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.398 9.799 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.014 9.115 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 32 15.726 10.981 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.763 10.928 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.557 12.569 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.469 13.089 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.702 13.786 -3.046 1.00 0.00 H new ATOM 445 N ALA A 33 17.591 5.444 -0.553 1.00 0.00 N ATOM 446 CA ALA A 33 17.680 5.569 0.897 1.00 0.00 C ATOM 447 C ALA A 33 18.909 6.374 1.304 1.00 0.00 C ATOM 448 O ALA A 33 19.902 6.447 0.580 1.00 0.00 O ATOM 449 CB ALA A 33 17.709 4.193 1.545 1.00 0.00 C ATOM 0 H ALA A 33 17.864 4.531 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 33 16.796 6.103 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.776 4.302 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.798 3.652 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.574 3.638 1.182 1.00 0.00 H new ATOM 455 N PRO A 34 18.843 6.996 2.491 1.00 0.00 N ATOM 456 CA PRO A 34 19.943 7.807 3.022 1.00 0.00 C ATOM 457 C PRO A 34 21.148 6.962 3.420 1.00 0.00 C ATOM 458 O PRO A 34 21.167 6.359 4.493 1.00 0.00 O ATOM 459 CB PRO A 34 19.328 8.476 4.253 1.00 0.00 C ATOM 460 CG PRO A 34 18.230 7.561 4.673 1.00 0.00 C ATOM 461 CD PRO A 34 17.691 6.953 3.407 1.00 0.00 C ATOM 0 HA PRO A 34 20.323 8.512 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.065 8.600 5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.947 9.469 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.601 6.791 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.451 8.105 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.343 5.933 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.846 7.520 3.017 1.00 0.00 H new ATOM 469 N SER A 35 22.151 6.923 2.550 1.00 0.00 N ATOM 470 CA SER A 35 23.359 6.148 2.810 1.00 0.00 C ATOM 471 C SER A 35 23.020 4.827 3.494 1.00 0.00 C ATOM 472 O SER A 35 23.664 4.435 4.466 1.00 0.00 O ATOM 473 CB SER A 35 24.328 6.951 3.679 1.00 0.00 C ATOM 474 OG SER A 35 25.052 7.890 2.902 1.00 0.00 O ATOM 0 H SER A 35 22.152 7.419 1.659 1.00 0.00 H new ATOM 0 HA SER A 35 23.835 5.931 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 35 23.775 7.471 4.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 25.022 6.274 4.176 1.00 0.00 H new ATOM 0 HG SER A 35 25.663 8.392 3.481 1.00 0.00 H new ATOM 480 N GLY A 36 22.003 4.144 2.977 1.00 0.00 N ATOM 481 CA GLY A 36 21.595 2.874 3.550 1.00 0.00 C ATOM 482 C GLY A 36 20.585 2.146 2.685 1.00 0.00 C ATOM 483 O GLY A 36 20.221 2.622 1.611 1.00 0.00 O ATOM 0 H GLY A 36 21.455 4.447 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.473 2.243 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.167 3.045 4.538 1.00 0.00 H new ATOM 487 N ALA A 37 20.133 0.988 3.154 1.00 0.00 N ATOM 488 CA ALA A 37 19.159 0.193 2.417 1.00 0.00 C ATOM 489 C ALA A 37 17.742 0.465 2.910 1.00 0.00 C ATOM 490 O ALA A 37 17.543 1.151 3.912 1.00 0.00 O ATOM 491 CB ALA A 37 19.487 -1.288 2.537 1.00 0.00 C ATOM 0 H ALA A 37 20.426 0.579 4.041 1.00 0.00 H new ATOM 0 HA ALA A 37 19.212 0.481 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.751 -1.870 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.480 -1.475 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.465 -1.582 3.586 1.00 0.00 H new ATOM 497 N VAL A 38 16.758 -0.077 2.198 1.00 0.00 N ATOM 498 CA VAL A 38 15.359 0.108 2.563 1.00 0.00 C ATOM 499 C VAL A 38 14.778 -1.164 3.170 1.00 0.00 C ATOM 500 O VAL A 38 14.442 -2.110 2.455 1.00 0.00 O ATOM 501 CB VAL A 38 14.510 0.517 1.345 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.054 0.702 1.747 1.00 0.00 C ATOM 503 CG2 VAL A 38 15.062 1.785 0.713 1.00 0.00 C ATOM 0 H VAL A 38 16.905 -0.648 1.365 1.00 0.00 H new ATOM 0 HA VAL A 38 15.328 0.908 3.303 1.00 0.00 H new ATOM 0 HB VAL A 38 14.559 -0.282 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.469 0.991 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.666 -0.234 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.982 1.481 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.450 2.059 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.045 2.593 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.088 1.612 0.387 1.00 0.00 H new ATOM 513 N LEU A 39 14.660 -1.182 4.493 1.00 0.00 N ATOM 514 CA LEU A 39 14.118 -2.338 5.198 1.00 0.00 C ATOM 515 C LEU A 39 12.669 -2.592 4.794 1.00 0.00 C ATOM 516 O LEU A 39 12.085 -1.827 4.026 1.00 0.00 O ATOM 517 CB LEU A 39 14.207 -2.127 6.710 1.00 0.00 C ATOM 518 CG LEU A 39 15.607 -1.872 7.271 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.532 -1.029 8.534 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.318 -3.189 7.548 1.00 0.00 C ATOM 0 H LEU A 39 14.933 -0.409 5.099 1.00 0.00 H new ATOM 0 HA LEU A 39 14.711 -3.210 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.571 -1.283 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.794 -3.006 7.204 1.00 0.00 H new ATOM 0 HG LEU A 39 16.181 -1.321 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.538 -0.859 8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.064 -0.072 8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.941 -1.552 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.313 -2.989 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.745 -3.766 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.406 -3.757 6.622 1.00 0.00 H new ATOM 532 N ASP A 40 12.095 -3.670 5.316 1.00 0.00 N ATOM 533 CA ASP A 40 10.713 -4.024 5.013 1.00 0.00 C ATOM 534 C ASP A 40 9.832 -2.780 4.963 1.00 0.00 C ATOM 535 O ASP A 40 10.158 -1.752 5.557 1.00 0.00 O ATOM 536 CB ASP A 40 10.174 -5.004 6.056 1.00 0.00 C ATOM 537 CG ASP A 40 11.225 -5.995 6.517 1.00 0.00 C ATOM 538 OD1 ASP A 40 11.618 -6.861 5.708 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.653 -5.905 7.687 1.00 0.00 O ATOM 0 H ASP A 40 12.565 -4.314 5.951 1.00 0.00 H new ATOM 0 HA ASP A 40 10.693 -4.501 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.802 -4.447 6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.326 -5.546 5.637 1.00 0.00 H new ATOM 544 N TYR A 41 8.716 -2.879 4.249 1.00 0.00 N ATOM 545 CA TYR A 41 7.790 -1.761 4.118 1.00 0.00 C ATOM 546 C TYR A 41 6.493 -2.037 4.873 1.00 0.00 C ATOM 547 O TYR A 41 6.272 -3.143 5.365 1.00 0.00 O ATOM 548 CB TYR A 41 7.488 -1.491 2.643 1.00 0.00 C ATOM 549 CG TYR A 41 8.725 -1.403 1.778 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.454 -2.542 1.457 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.164 -0.182 1.283 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.585 -2.466 0.667 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.293 -0.097 0.491 1.00 0.00 C ATOM 554 CZ TYR A 41 11.000 -1.242 0.186 1.00 0.00 C ATOM 555 OH TYR A 41 12.126 -1.161 -0.601 1.00 0.00 O ATOM 0 H TYR A 41 8.431 -3.723 3.752 1.00 0.00 H new ATOM 0 HA TYR A 41 8.261 -0.879 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.844 -2.283 2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.930 -0.559 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.131 -3.502 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.614 0.716 1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.141 -3.360 0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.620 0.860 0.113 1.00 0.00 H new ATOM 0 HH TYR A 41 12.150 -0.290 -1.049 1.00 0.00 H new ATOM 565 N GLU A 42 5.638 -1.022 4.958 1.00 0.00 N ATOM 566 CA GLU A 42 4.363 -1.155 5.652 1.00 0.00 C ATOM 567 C GLU A 42 3.213 -0.664 4.777 1.00 0.00 C ATOM 568 O GLU A 42 3.236 0.460 4.275 1.00 0.00 O ATOM 569 CB GLU A 42 4.388 -0.371 6.966 1.00 0.00 C ATOM 570 CG GLU A 42 3.293 -0.776 7.938 1.00 0.00 C ATOM 571 CD GLU A 42 3.584 -0.340 9.360 1.00 0.00 C ATOM 572 OE1 GLU A 42 4.108 0.779 9.542 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.289 -1.118 10.292 1.00 0.00 O ATOM 0 H GLU A 42 5.805 -0.100 4.555 1.00 0.00 H new ATOM 0 HA GLU A 42 4.206 -2.211 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.357 -0.512 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.292 0.692 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.347 -0.341 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.172 -1.859 7.912 1.00 0.00 H new ATOM 580 N VAL A 43 2.209 -1.516 4.597 1.00 0.00 N ATOM 581 CA VAL A 43 1.049 -1.170 3.783 1.00 0.00 C ATOM 582 C VAL A 43 -0.143 -0.795 4.656 1.00 0.00 C ATOM 583 O VAL A 43 -0.666 -1.624 5.402 1.00 0.00 O ATOM 584 CB VAL A 43 0.648 -2.333 2.856 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.599 -1.976 2.062 1.00 0.00 C ATOM 586 CG2 VAL A 43 1.797 -2.694 1.927 1.00 0.00 C ATOM 0 H VAL A 43 2.175 -2.451 5.004 1.00 0.00 H new ATOM 0 HA VAL A 43 1.333 -0.312 3.174 1.00 0.00 H new ATOM 0 HB VAL A 43 0.421 -3.204 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.868 -2.809 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.421 -1.771 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.403 -1.092 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.496 -3.517 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.057 -1.829 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.662 -2.995 2.518 1.00 0.00 H new ATOM 596 N LYS A 44 -0.570 0.459 4.558 1.00 0.00 N ATOM 597 CA LYS A 44 -1.702 0.946 5.337 1.00 0.00 C ATOM 598 C LYS A 44 -2.865 1.326 4.427 1.00 0.00 C ATOM 599 O LYS A 44 -2.827 2.355 3.752 1.00 0.00 O ATOM 600 CB LYS A 44 -1.286 2.152 6.182 1.00 0.00 C ATOM 601 CG LYS A 44 -2.221 2.432 7.345 1.00 0.00 C ATOM 602 CD LYS A 44 -1.669 3.513 8.258 1.00 0.00 C ATOM 603 CE LYS A 44 -2.768 4.157 9.089 1.00 0.00 C ATOM 604 NZ LYS A 44 -3.725 4.924 8.245 1.00 0.00 N ATOM 0 H LYS A 44 -0.149 1.158 3.946 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.028 0.143 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.280 1.985 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.240 3.034 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.195 2.739 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.376 1.517 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.917 3.083 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.170 4.275 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.307 3.385 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.322 4.822 9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.701 5.927 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.458 4.830 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.686 4.551 8.383 1.00 0.00 H new ATOM 618 N TYR A 45 -3.898 0.491 4.414 1.00 0.00 N ATOM 619 CA TYR A 45 -5.072 0.740 3.585 1.00 0.00 C ATOM 620 C TYR A 45 -6.343 0.748 4.430 1.00 0.00 C ATOM 621 O TYR A 45 -6.387 0.161 5.512 1.00 0.00 O ATOM 622 CB TYR A 45 -5.182 -0.321 2.488 1.00 0.00 C ATOM 623 CG TYR A 45 -5.144 -1.739 3.011 1.00 0.00 C ATOM 624 CD1 TYR A 45 -3.935 -2.366 3.288 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.317 -2.451 3.229 1.00 0.00 C ATOM 626 CE1 TYR A 45 -3.896 -3.662 3.765 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.287 -3.747 3.707 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.074 -4.348 3.973 1.00 0.00 C ATOM 629 OH TYR A 45 -5.040 -5.639 4.449 1.00 0.00 O ATOM 0 H TYR A 45 -3.947 -0.364 4.968 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.958 1.720 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.112 -0.170 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.367 -0.183 1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.011 -1.831 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.268 -1.984 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.948 -4.135 3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.208 -4.287 3.871 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.248 -5.759 5.014 1.00 0.00 H new ATOM 639 N HIS A 46 -7.375 1.417 3.926 1.00 0.00 N ATOM 640 CA HIS A 46 -8.649 1.501 4.633 1.00 0.00 C ATOM 641 C HIS A 46 -9.746 2.031 3.714 1.00 0.00 C ATOM 642 O HIS A 46 -9.698 3.179 3.273 1.00 0.00 O ATOM 643 CB HIS A 46 -8.517 2.403 5.860 1.00 0.00 C ATOM 644 CG HIS A 46 -8.378 3.856 5.524 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.189 4.425 5.119 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.288 4.858 5.532 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.373 5.713 4.895 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.639 6.002 5.138 1.00 0.00 N ATOM 0 H HIS A 46 -7.355 1.908 3.032 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.923 0.497 4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.392 2.268 6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.650 2.088 6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.331 4.773 5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.617 6.412 4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.065 6.924 5.048 1.00 0.00 H new ATOM 657 N GLU A 47 -10.731 1.186 3.429 1.00 0.00 N ATOM 658 CA GLU A 47 -11.839 1.569 2.561 1.00 0.00 C ATOM 659 C GLU A 47 -12.270 3.008 2.833 1.00 0.00 C ATOM 660 O GLU A 47 -12.172 3.495 3.959 1.00 0.00 O ATOM 661 CB GLU A 47 -13.024 0.623 2.760 1.00 0.00 C ATOM 662 CG GLU A 47 -13.949 0.544 1.558 1.00 0.00 C ATOM 663 CD GLU A 47 -15.018 1.620 1.572 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.748 1.717 2.580 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.124 2.364 0.575 1.00 0.00 O ATOM 0 H GLU A 47 -10.785 0.232 3.786 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.499 1.499 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.647 -0.375 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.597 0.950 3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.360 0.634 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.426 -0.436 1.535 1.00 0.00 H new ATOM 672 N LYS A 48 -12.748 3.682 1.793 1.00 0.00 N ATOM 673 CA LYS A 48 -13.196 5.064 1.917 1.00 0.00 C ATOM 674 C LYS A 48 -14.456 5.153 2.772 1.00 0.00 C ATOM 675 O LYS A 48 -14.477 5.836 3.795 1.00 0.00 O ATOM 676 CB LYS A 48 -13.462 5.662 0.534 1.00 0.00 C ATOM 677 CG LYS A 48 -13.628 7.172 0.546 1.00 0.00 C ATOM 678 CD LYS A 48 -13.294 7.780 -0.806 1.00 0.00 C ATOM 679 CE LYS A 48 -11.821 8.146 -0.904 1.00 0.00 C ATOM 680 NZ LYS A 48 -11.534 9.466 -0.277 1.00 0.00 N ATOM 0 H LYS A 48 -12.835 3.293 0.854 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.405 5.633 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.638 5.401 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.362 5.209 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.653 7.424 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.982 7.604 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.548 7.074 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.903 8.670 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.222 7.375 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.522 8.169 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.526 9.694 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.111 10.200 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.764 9.426 0.736 1.00 0.00 H new ATOM 769 N VAL A 56 -8.951 0.459 9.383 1.00 0.00 N ATOM 770 CA VAL A 56 -7.685 0.454 8.659 1.00 0.00 C ATOM 771 C VAL A 56 -6.877 -0.799 8.974 1.00 0.00 C ATOM 772 O VAL A 56 -6.685 -1.151 10.138 1.00 0.00 O ATOM 773 CB VAL A 56 -6.839 1.696 9.000 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.619 1.797 10.501 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.511 1.655 8.259 1.00 0.00 C ATOM 0 HA VAL A 56 -7.928 0.469 7.596 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.382 2.584 8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.020 2.680 10.722 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.582 1.876 11.005 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.097 0.907 10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.926 2.540 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.960 0.761 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.694 1.636 7.185 1.00 0.00 H new ATOM 785 N ARG A 57 -6.405 -1.471 7.929 1.00 0.00 N ATOM 786 CA ARG A 57 -5.617 -2.687 8.093 1.00 0.00 C ATOM 787 C ARG A 57 -4.134 -2.409 7.867 1.00 0.00 C ATOM 788 O ARG A 57 -3.764 -1.379 7.303 1.00 0.00 O ATOM 789 CB ARG A 57 -6.099 -3.767 7.123 1.00 0.00 C ATOM 790 CG ARG A 57 -7.196 -4.652 7.693 1.00 0.00 C ATOM 791 CD ARG A 57 -7.123 -6.062 7.128 1.00 0.00 C ATOM 792 NE ARG A 57 -6.292 -6.938 7.949 1.00 0.00 N ATOM 793 CZ ARG A 57 -6.742 -7.589 9.017 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.007 -7.462 9.390 1.00 0.00 N ATOM 795 NH2 ARG A 57 -5.924 -8.368 9.713 1.00 0.00 N ATOM 0 H ARG A 57 -6.555 -1.194 6.959 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.750 -3.041 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.465 -3.290 6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.252 -4.391 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.108 -4.689 8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.170 -4.218 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.128 -6.477 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.722 -6.026 6.115 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.313 -7.057 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.638 -6.864 8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.350 -7.963 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.950 -8.467 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.270 -8.867 10.532 1.00 0.00 H new ATOM 809 N PHE A 58 -3.290 -3.334 8.310 1.00 0.00 N ATOM 810 CA PHE A 58 -1.847 -3.188 8.157 1.00 0.00 C ATOM 811 C PHE A 58 -1.227 -4.466 7.598 1.00 0.00 C ATOM 812 O PHE A 58 -1.652 -5.573 7.932 1.00 0.00 O ATOM 813 CB PHE A 58 -1.203 -2.841 9.501 1.00 0.00 C ATOM 814 CG PHE A 58 -1.383 -1.404 9.899 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.641 -0.907 10.196 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.294 -0.551 9.975 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.809 0.416 10.562 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.456 0.772 10.340 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.715 1.256 10.635 1.00 0.00 C ATOM 0 H PHE A 58 -3.580 -4.193 8.778 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.662 -2.377 7.453 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.629 -3.480 10.275 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.137 -3.066 9.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.500 -1.559 10.141 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.693 -0.924 9.746 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.795 0.792 10.791 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.401 1.427 10.394 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.844 2.289 10.922 1.00 0.00 H new ATOM 829 N LEU A 59 -0.222 -4.305 6.746 1.00 0.00 N ATOM 830 CA LEU A 59 0.457 -5.444 6.139 1.00 0.00 C ATOM 831 C LEU A 59 1.941 -5.152 5.941 1.00 0.00 C ATOM 832 O LEU A 59 2.311 -4.176 5.287 1.00 0.00 O ATOM 833 CB LEU A 59 -0.189 -5.793 4.797 1.00 0.00 C ATOM 834 CG LEU A 59 0.628 -6.697 3.873 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.324 -8.160 4.153 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.349 -6.361 2.415 1.00 0.00 C ATOM 0 H LEU A 59 0.141 -3.396 6.459 1.00 0.00 H new ATOM 0 HA LEU A 59 0.360 -6.294 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.146 -6.277 4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.403 -4.865 4.267 1.00 0.00 H new ATOM 0 HG LEU A 59 1.686 -6.524 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.914 -8.788 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.576 -8.392 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.736 -8.350 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.939 -7.014 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.711 -6.505 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.619 -5.323 2.223 1.00 0.00 H new ATOM 848 N LYS A 60 2.788 -6.005 6.508 1.00 0.00 N ATOM 849 CA LYS A 60 4.232 -5.842 6.391 1.00 0.00 C ATOM 850 C LYS A 60 4.802 -6.776 5.329 1.00 0.00 C ATOM 851 O LYS A 60 4.410 -7.940 5.236 1.00 0.00 O ATOM 852 CB LYS A 60 4.907 -6.112 7.738 1.00 0.00 C ATOM 853 CG LYS A 60 4.696 -5.005 8.757 1.00 0.00 C ATOM 854 CD LYS A 60 4.727 -5.542 10.178 1.00 0.00 C ATOM 855 CE LYS A 60 5.172 -4.476 11.167 1.00 0.00 C ATOM 856 NZ LYS A 60 5.640 -5.071 12.450 1.00 0.00 N ATOM 0 H LYS A 60 2.499 -6.817 7.054 1.00 0.00 H new ATOM 0 HA LYS A 60 4.433 -4.814 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.524 -7.048 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.977 -6.248 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.469 -4.246 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.739 -4.517 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.736 -5.904 10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.404 -6.395 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.975 -3.884 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.344 -3.794 11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.935 -4.312 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.866 -5.615 12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.446 -5.702 12.266 1.00 0.00 H new ATOM 870 N THR A 61 5.730 -6.260 4.530 1.00 0.00 N ATOM 871 CA THR A 61 6.354 -7.048 3.474 1.00 0.00 C ATOM 872 C THR A 61 7.824 -6.680 3.308 1.00 0.00 C ATOM 873 O THR A 61 8.177 -5.501 3.269 1.00 0.00 O ATOM 874 CB THR A 61 5.632 -6.855 2.127 1.00 0.00 C ATOM 875 OG1 THR A 61 6.356 -7.518 1.084 1.00 0.00 O ATOM 876 CG2 THR A 61 5.494 -5.377 1.795 1.00 0.00 C ATOM 0 H THR A 61 6.066 -5.299 4.594 1.00 0.00 H new ATOM 0 HA THR A 61 6.276 -8.093 3.772 1.00 0.00 H new ATOM 0 HB THR A 61 4.635 -7.288 2.208 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.859 -8.269 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.981 -5.265 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.918 -4.881 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.484 -4.925 1.731 1.00 0.00 H new ATOM 884 N SER A 62 8.676 -7.694 3.210 1.00 0.00 N ATOM 885 CA SER A 62 10.109 -7.476 3.051 1.00 0.00 C ATOM 886 C SER A 62 10.410 -6.796 1.719 1.00 0.00 C ATOM 887 O SER A 62 11.270 -5.919 1.639 1.00 0.00 O ATOM 888 CB SER A 62 10.862 -8.805 3.139 1.00 0.00 C ATOM 889 OG SER A 62 10.808 -9.505 1.908 1.00 0.00 O ATOM 0 H SER A 62 8.399 -8.675 3.238 1.00 0.00 H new ATOM 0 HA SER A 62 10.444 -6.823 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.901 -8.620 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.431 -9.419 3.929 1.00 0.00 H new ATOM 0 HG SER A 62 11.298 -10.350 1.990 1.00 0.00 H new ATOM 895 N GLU A 63 9.696 -7.207 0.676 1.00 0.00 N ATOM 896 CA GLU A 63 9.887 -6.638 -0.653 1.00 0.00 C ATOM 897 C GLU A 63 9.045 -5.379 -0.832 1.00 0.00 C ATOM 898 O GLU A 63 8.187 -5.071 -0.006 1.00 0.00 O ATOM 899 CB GLU A 63 9.525 -7.664 -1.728 1.00 0.00 C ATOM 900 CG GLU A 63 8.096 -8.171 -1.629 1.00 0.00 C ATOM 901 CD GLU A 63 7.977 -9.421 -0.779 1.00 0.00 C ATOM 902 OE1 GLU A 63 7.938 -9.292 0.462 1.00 0.00 O ATOM 903 OE2 GLU A 63 7.924 -10.528 -1.355 1.00 0.00 O ATOM 0 H GLU A 63 8.980 -7.932 0.726 1.00 0.00 H new ATOM 0 HA GLU A 63 10.938 -6.369 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.676 -7.217 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.208 -8.510 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.465 -7.388 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.719 -8.380 -2.630 1.00 0.00 H new ATOM 910 N ASN A 64 9.298 -4.654 -1.917 1.00 0.00 N ATOM 911 CA ASN A 64 8.564 -3.427 -2.204 1.00 0.00 C ATOM 912 C ASN A 64 7.286 -3.727 -2.982 1.00 0.00 C ATOM 913 O ASN A 64 6.768 -2.870 -3.699 1.00 0.00 O ATOM 914 CB ASN A 64 9.442 -2.457 -2.998 1.00 0.00 C ATOM 915 CG ASN A 64 9.900 -3.042 -4.320 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.607 -4.195 -4.636 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.625 -2.247 -5.099 1.00 0.00 N ATOM 0 H ASN A 64 10.005 -4.895 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 64 8.291 -2.966 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.887 -1.537 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.314 -2.188 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.963 -2.586 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.844 -1.298 -4.796 1.00 0.00 H new ATOM 924 N ARG A 65 6.783 -4.948 -2.835 1.00 0.00 N ATOM 925 CA ARG A 65 5.566 -5.361 -3.524 1.00 0.00 C ATOM 926 C ARG A 65 4.745 -6.309 -2.655 1.00 0.00 C ATOM 927 O ARG A 65 5.286 -7.227 -2.038 1.00 0.00 O ATOM 928 CB ARG A 65 5.912 -6.038 -4.852 1.00 0.00 C ATOM 929 CG ARG A 65 6.676 -7.342 -4.689 1.00 0.00 C ATOM 930 CD ARG A 65 6.750 -8.111 -5.999 1.00 0.00 C ATOM 931 NE ARG A 65 5.443 -8.615 -6.413 1.00 0.00 N ATOM 932 CZ ARG A 65 4.919 -9.751 -5.968 1.00 0.00 C ATOM 933 NH1 ARG A 65 5.587 -10.497 -5.099 1.00 0.00 N ATOM 934 NH2 ARG A 65 3.724 -10.142 -6.391 1.00 0.00 N ATOM 0 H ARG A 65 7.199 -5.669 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 65 4.970 -4.470 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.991 -6.232 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.505 -5.352 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.684 -7.132 -4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.191 -7.957 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.152 -7.463 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.443 -8.946 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 65 4.903 -8.064 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.506 -10.199 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.182 -11.369 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.207 -9.570 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.322 -11.015 -6.049 1.00 0.00 H new ATOM 948 N ALA A 66 3.437 -6.081 -2.612 1.00 0.00 N ATOM 949 CA ALA A 66 2.541 -6.915 -1.821 1.00 0.00 C ATOM 950 C ALA A 66 1.216 -7.135 -2.542 1.00 0.00 C ATOM 951 O ALA A 66 0.915 -6.460 -3.526 1.00 0.00 O ATOM 952 CB ALA A 66 2.303 -6.287 -0.456 1.00 0.00 C ATOM 0 H ALA A 66 2.974 -5.325 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 66 3.016 -7.887 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.632 -6.921 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.253 -6.188 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.853 -5.302 -0.582 1.00 0.00 H new ATOM 958 N GLU A 67 0.428 -8.085 -2.047 1.00 0.00 N ATOM 959 CA GLU A 67 -0.865 -8.394 -2.646 1.00 0.00 C ATOM 960 C GLU A 67 -1.974 -8.353 -1.599 1.00 0.00 C ATOM 961 O GLU A 67 -1.937 -9.085 -0.610 1.00 0.00 O ATOM 962 CB GLU A 67 -0.827 -9.772 -3.311 1.00 0.00 C ATOM 963 CG GLU A 67 -1.919 -9.978 -4.347 1.00 0.00 C ATOM 964 CD GLU A 67 -2.194 -11.444 -4.621 1.00 0.00 C ATOM 965 OE1 GLU A 67 -2.300 -12.219 -3.647 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.303 -11.816 -5.808 1.00 0.00 O ATOM 0 H GLU A 67 0.663 -8.653 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.076 -7.638 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.144 -9.910 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.917 -10.540 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.836 -9.498 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.631 -9.486 -5.276 1.00 0.00 H new ATOM 973 N LEU A 68 -2.960 -7.491 -1.824 1.00 0.00 N ATOM 974 CA LEU A 68 -4.080 -7.352 -0.901 1.00 0.00 C ATOM 975 C LEU A 68 -5.246 -8.242 -1.322 1.00 0.00 C ATOM 976 O LEU A 68 -5.875 -8.010 -2.354 1.00 0.00 O ATOM 977 CB LEU A 68 -4.535 -5.893 -0.836 1.00 0.00 C ATOM 978 CG LEU A 68 -3.460 -4.870 -0.468 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.004 -3.456 -0.591 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.943 -5.124 0.941 1.00 0.00 C ATOM 0 H LEU A 68 -3.006 -6.878 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.745 -7.666 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.951 -5.620 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.344 -5.818 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.628 -4.979 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.225 -2.742 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.325 -3.278 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.853 -3.333 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.179 -4.387 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.766 -5.043 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.513 -6.124 0.996 1.00 0.00 H new ATOM 992 N ARG A 69 -5.529 -9.259 -0.514 1.00 0.00 N ATOM 993 CA ARG A 69 -6.619 -10.183 -0.803 1.00 0.00 C ATOM 994 C ARG A 69 -7.884 -9.783 -0.048 1.00 0.00 C ATOM 995 O ARG A 69 -7.823 -9.361 1.106 1.00 0.00 O ATOM 996 CB ARG A 69 -6.218 -11.611 -0.428 1.00 0.00 C ATOM 997 CG ARG A 69 -5.042 -12.143 -1.230 1.00 0.00 C ATOM 998 CD ARG A 69 -4.501 -13.434 -0.636 1.00 0.00 C ATOM 999 NE ARG A 69 -3.582 -13.184 0.472 1.00 0.00 N ATOM 1000 CZ ARG A 69 -2.815 -14.123 1.016 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -2.857 -15.366 0.558 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.004 -13.818 2.021 1.00 0.00 N ATOM 0 H ARG A 69 -5.019 -9.464 0.345 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.825 -10.140 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.968 -11.643 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.074 -12.270 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.352 -12.317 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.250 -11.394 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.331 -14.048 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.988 -14.003 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.526 -12.238 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.479 -15.604 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.267 -16.084 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.969 -12.863 2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.415 -14.539 2.438 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.029 -9.920 -0.708 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.292 -9.569 -0.084 1.00 0.00 C ATOM 1018 C GLY A 70 -10.584 -8.083 -0.164 1.00 0.00 C ATOM 1019 O GLY A 70 -10.320 -7.340 0.782 1.00 0.00 O ATOM 0 H GLY A 70 -9.105 -10.268 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.098 -10.121 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.276 -9.877 0.961 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.129 -7.649 -1.294 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.456 -6.241 -1.495 1.00 0.00 C ATOM 1025 C LEU A 71 -12.604 -6.085 -2.487 1.00 0.00 C ATOM 1026 O LEU A 71 -13.091 -7.066 -3.050 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.228 -5.478 -1.994 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.968 -5.601 -1.137 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.735 -5.226 -1.945 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -9.080 -4.728 0.105 1.00 0.00 C ATOM 0 H LEU A 71 -11.354 -8.251 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.769 -5.826 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.994 -5.825 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.488 -4.422 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.868 -6.639 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.848 -5.319 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.646 -5.892 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.827 -4.197 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.174 -4.828 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.205 -3.687 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.941 -5.043 0.695 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.032 -4.845 -2.698 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.120 -4.558 -3.625 1.00 0.00 C ATOM 1044 C LYS A 72 -13.583 -4.275 -5.024 1.00 0.00 C ATOM 1045 O LYS A 72 -12.606 -3.545 -5.188 1.00 0.00 O ATOM 1046 CB LYS A 72 -14.938 -3.362 -3.130 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.084 -3.748 -2.211 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.242 -4.351 -2.987 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.116 -3.274 -3.610 1.00 0.00 C ATOM 1050 NZ LYS A 72 -19.464 -3.793 -3.972 1.00 0.00 N ATOM 0 H LYS A 72 -12.641 -4.022 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.764 -5.436 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.277 -2.673 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.338 -2.825 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.731 -4.463 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.428 -2.868 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.856 -5.005 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.844 -4.970 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.222 -2.444 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.627 -2.880 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.029 -3.028 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.365 -4.568 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.941 -4.145 -3.118 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.229 -4.857 -6.030 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.815 -4.667 -7.415 1.00 0.00 C ATOM 1066 C ARG A 73 -14.378 -3.364 -7.976 1.00 0.00 C ATOM 1067 O ARG A 73 -14.801 -3.305 -9.130 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.277 -5.846 -8.273 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.782 -5.899 -8.477 1.00 0.00 C ATOM 1070 CD ARG A 73 -16.463 -6.719 -7.392 1.00 0.00 C ATOM 1071 NE ARG A 73 -17.717 -7.305 -7.856 1.00 0.00 N ATOM 1072 CZ ARG A 73 -18.268 -8.386 -7.313 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -17.677 -8.994 -6.294 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -19.411 -8.860 -7.791 1.00 0.00 N ATOM 0 H ARG A 73 -15.040 -5.463 -5.912 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.727 -4.613 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.789 -5.789 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.949 -6.775 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.186 -4.887 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.003 -6.330 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.792 -7.512 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.657 -6.085 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.196 -6.861 -8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.798 -8.632 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.102 -9.823 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.868 -8.395 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.833 -9.690 -7.374 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.379 -2.322 -7.151 1.00 0.00 N ATOM 1089 CA GLY A 74 -14.893 -1.035 -7.582 1.00 0.00 C ATOM 1090 C GLY A 74 -15.195 -0.111 -6.419 1.00 0.00 C ATOM 1091 O GLY A 74 -16.290 0.441 -6.324 1.00 0.00 O ATOM 0 H GLY A 74 -14.033 -2.346 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.166 -0.559 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.801 -1.187 -8.166 1.00 0.00 H new ATOM 1095 N ALA A 75 -14.221 0.055 -5.529 1.00 0.00 N ATOM 1096 CA ALA A 75 -14.388 0.918 -4.366 1.00 0.00 C ATOM 1097 C ALA A 75 -13.145 1.769 -4.131 1.00 0.00 C ATOM 1098 O ALA A 75 -12.022 1.324 -4.372 1.00 0.00 O ATOM 1099 CB ALA A 75 -14.702 0.085 -3.132 1.00 0.00 C ATOM 0 H ALA A 75 -13.309 -0.397 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.224 1.590 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.824 0.742 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.623 -0.474 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -13.884 -0.610 -2.945 1.00 0.00 H new ATOM 1105 N SER A 76 -13.352 2.994 -3.659 1.00 0.00 N ATOM 1106 CA SER A 76 -12.248 3.909 -3.396 1.00 0.00 C ATOM 1107 C SER A 76 -11.423 3.435 -2.203 1.00 0.00 C ATOM 1108 O SER A 76 -11.850 3.547 -1.054 1.00 0.00 O ATOM 1109 CB SER A 76 -12.778 5.320 -3.135 1.00 0.00 C ATOM 1110 OG SER A 76 -12.989 6.018 -4.350 1.00 0.00 O ATOM 0 H SER A 76 -14.275 3.376 -3.451 1.00 0.00 H new ATOM 0 HA SER A 76 -11.606 3.927 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.713 5.263 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.070 5.869 -2.515 1.00 0.00 H new ATOM 0 HG SER A 76 -13.329 6.916 -4.156 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.238 2.904 -2.485 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.353 2.410 -1.437 1.00 0.00 C ATOM 1118 C TYR A 77 -8.136 3.317 -1.279 1.00 0.00 C ATOM 1119 O TYR A 77 -7.323 3.449 -2.194 1.00 0.00 O ATOM 1120 CB TYR A 77 -8.902 0.983 -1.752 1.00 0.00 C ATOM 1121 CG TYR A 77 -9.812 -0.081 -1.181 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.615 -0.575 0.103 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.868 -0.592 -1.925 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.444 -1.547 0.629 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.703 -1.563 -1.406 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.487 -2.037 -0.130 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.315 -3.006 0.390 1.00 0.00 O ATOM 0 H TYR A 77 -9.868 2.805 -3.431 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.908 2.410 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.846 0.859 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.895 0.835 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.800 -0.193 0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.039 -0.224 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.277 -1.921 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.521 -1.948 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.999 -3.241 -0.271 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.019 3.939 -0.111 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.901 4.834 0.170 1.00 0.00 C ATOM 1139 C LEU A 78 -5.796 4.104 0.926 1.00 0.00 C ATOM 1140 O LEU A 78 -5.887 3.901 2.137 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.379 6.040 0.981 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.574 6.802 0.408 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -9.158 7.742 1.452 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -8.167 7.574 -0.839 1.00 0.00 C ATOM 0 H LEU A 78 -8.684 3.840 0.656 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.497 5.181 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.638 5.699 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.546 6.735 1.086 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.341 6.079 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.008 8.276 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.488 7.166 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.398 8.459 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.030 8.110 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.382 8.286 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.797 6.879 -1.593 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.750 3.713 0.204 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.625 3.009 0.807 1.00 0.00 C ATOM 1158 C VAL A 79 -2.355 3.849 0.746 1.00 0.00 C ATOM 1159 O VAL A 79 -2.148 4.611 -0.198 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.369 1.660 0.110 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -3.137 1.864 -1.379 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -2.187 0.946 0.750 1.00 0.00 C ATOM 0 H VAL A 79 -4.659 3.872 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.887 2.827 1.849 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.252 1.033 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.958 0.900 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.016 2.330 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.270 2.508 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.020 -0.006 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.295 1.566 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.398 0.765 1.804 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.507 3.705 1.760 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.256 4.452 1.822 1.00 0.00 C ATOM 1174 C GLN A 80 0.921 3.520 2.091 1.00 0.00 C ATOM 1175 O GLN A 80 0.948 2.811 3.097 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.331 5.525 2.909 1.00 0.00 C ATOM 1177 CG GLN A 80 -0.905 6.846 2.421 1.00 0.00 C ATOM 1178 CD GLN A 80 -0.985 7.888 3.520 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -1.215 7.562 4.685 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -0.796 9.150 3.153 1.00 0.00 N ATOM 0 H GLN A 80 -1.664 3.078 2.549 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.102 4.934 0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.942 5.155 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.669 5.698 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.288 7.228 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.901 6.676 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.608 9.374 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.839 9.895 3.848 1.00 0.00 H new ATOM 1189 N VAL A 81 1.893 3.526 1.184 1.00 0.00 N ATOM 1190 CA VAL A 81 3.074 2.682 1.324 1.00 0.00 C ATOM 1191 C VAL A 81 4.252 3.473 1.883 1.00 0.00 C ATOM 1192 O VAL A 81 4.674 4.472 1.302 1.00 0.00 O ATOM 1193 CB VAL A 81 3.482 2.060 -0.025 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.743 1.225 0.132 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.345 1.223 -0.591 1.00 0.00 C ATOM 0 H VAL A 81 1.886 4.106 0.345 1.00 0.00 H new ATOM 0 HA VAL A 81 2.813 1.885 2.020 1.00 0.00 H new ATOM 0 HB VAL A 81 3.694 2.866 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.016 0.794 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.556 1.857 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.563 0.425 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.651 0.791 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.099 0.423 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.469 1.854 -0.743 1.00 0.00 H new ATOM 1205 N ARG A 82 4.778 3.017 3.015 1.00 0.00 N ATOM 1206 CA ARG A 82 5.907 3.682 3.654 1.00 0.00 C ATOM 1207 C ARG A 82 7.138 2.781 3.658 1.00 0.00 C ATOM 1208 O ARG A 82 7.023 1.556 3.670 1.00 0.00 O ATOM 1209 CB ARG A 82 5.548 4.079 5.087 1.00 0.00 C ATOM 1210 CG ARG A 82 5.434 2.897 6.036 1.00 0.00 C ATOM 1211 CD ARG A 82 5.812 3.285 7.457 1.00 0.00 C ATOM 1212 NE ARG A 82 4.657 3.742 8.225 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.746 4.552 9.274 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.930 4.992 9.678 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.649 4.924 9.922 1.00 0.00 N ATOM 0 H ARG A 82 4.441 2.190 3.508 1.00 0.00 H new ATOM 0 HA ARG A 82 6.138 4.581 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.305 4.766 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.602 4.620 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.413 2.514 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.082 2.090 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.265 2.430 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.564 4.073 7.430 1.00 0.00 H new ATOM 0 HE ARG A 82 3.731 3.422 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.776 4.709 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.995 5.614 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.736 4.588 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.719 5.546 10.727 1.00 0.00 H new ATOM 1229 N ALA A 83 8.316 3.396 3.647 1.00 0.00 N ATOM 1230 CA ALA A 83 9.568 2.650 3.651 1.00 0.00 C ATOM 1231 C ALA A 83 10.296 2.805 4.982 1.00 0.00 C ATOM 1232 O ALA A 83 10.325 3.891 5.561 1.00 0.00 O ATOM 1233 CB ALA A 83 10.458 3.106 2.504 1.00 0.00 C ATOM 0 H ALA A 83 8.429 4.410 3.635 1.00 0.00 H new ATOM 0 HA ALA A 83 9.333 1.594 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.390 2.540 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.946 2.937 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.677 4.168 2.613 1.00 0.00 H new ATOM 1239 N ARG A 84 10.882 1.713 5.461 1.00 0.00 N ATOM 1240 CA ARG A 84 11.608 1.728 6.725 1.00 0.00 C ATOM 1241 C ARG A 84 13.090 1.438 6.504 1.00 0.00 C ATOM 1242 O ARG A 84 13.451 0.578 5.701 1.00 0.00 O ATOM 1243 CB ARG A 84 11.015 0.701 7.691 1.00 0.00 C ATOM 1244 CG ARG A 84 11.437 0.909 9.136 1.00 0.00 C ATOM 1245 CD ARG A 84 11.107 -0.303 9.993 1.00 0.00 C ATOM 1246 NE ARG A 84 12.136 -1.335 9.901 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.359 -2.238 10.850 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.628 -2.236 11.956 1.00 0.00 N ATOM 1249 NH2 ARG A 84 13.314 -3.146 10.692 1.00 0.00 N ATOM 0 H ARG A 84 10.868 0.807 4.993 1.00 0.00 H new ATOM 0 HA ARG A 84 11.511 2.723 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.928 0.743 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.314 -0.298 7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.508 1.105 9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.936 1.789 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.997 0.007 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.149 -0.718 9.681 1.00 0.00 H new ATOM 0 HE ARG A 84 12.715 -1.364 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.892 -1.540 12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.801 -2.930 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.877 -3.151 9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.485 -3.839 11.421 1.00 0.00 H new ATOM 1263 N SER A 85 13.943 2.161 7.223 1.00 0.00 N ATOM 1264 CA SER A 85 15.385 1.985 7.103 1.00 0.00 C ATOM 1265 C SER A 85 16.025 1.788 8.474 1.00 0.00 C ATOM 1266 O SER A 85 15.358 1.894 9.502 1.00 0.00 O ATOM 1267 CB SER A 85 16.012 3.193 6.403 1.00 0.00 C ATOM 1268 OG SER A 85 17.212 2.833 5.741 1.00 0.00 O ATOM 0 H SER A 85 13.660 2.874 7.895 1.00 0.00 H new ATOM 0 HA SER A 85 15.568 1.092 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.306 3.607 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.217 3.975 7.134 1.00 0.00 H new ATOM 0 HG SER A 85 16.998 2.347 4.917 1.00 0.00 H new ATOM 1274 N GLU A 86 17.323 1.500 8.478 1.00 0.00 N ATOM 1275 CA GLU A 86 18.053 1.288 9.723 1.00 0.00 C ATOM 1276 C GLU A 86 17.733 2.383 10.735 1.00 0.00 C ATOM 1277 O GLU A 86 17.346 2.102 11.869 1.00 0.00 O ATOM 1278 CB GLU A 86 19.559 1.249 9.456 1.00 0.00 C ATOM 1279 CG GLU A 86 20.067 -0.119 9.033 1.00 0.00 C ATOM 1280 CD GLU A 86 21.348 -0.042 8.225 1.00 0.00 C ATOM 1281 OE1 GLU A 86 21.434 0.825 7.330 1.00 0.00 O ATOM 1282 OE2 GLU A 86 22.264 -0.848 8.487 1.00 0.00 O ATOM 0 H GLU A 86 17.890 1.408 7.635 1.00 0.00 H new ATOM 0 HA GLU A 86 17.740 0.331 10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.800 1.973 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.087 1.561 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.238 -0.729 9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.300 -0.621 8.444 1.00 0.00 H new ATOM 1289 N ALA A 87 17.897 3.634 10.317 1.00 0.00 N ATOM 1290 CA ALA A 87 17.625 4.772 11.186 1.00 0.00 C ATOM 1291 C ALA A 87 16.276 4.622 11.880 1.00 0.00 C ATOM 1292 O ALA A 87 16.204 4.529 13.105 1.00 0.00 O ATOM 1293 CB ALA A 87 17.669 6.067 10.388 1.00 0.00 C ATOM 0 H ALA A 87 18.217 3.885 9.382 1.00 0.00 H new ATOM 0 HA ALA A 87 18.398 4.805 11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.464 6.909 11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.657 6.187 9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.918 6.034 9.599 1.00 0.00 H new ATOM 1299 N GLY A 88 15.207 4.601 11.089 1.00 0.00 N ATOM 1300 CA GLY A 88 13.874 4.463 11.646 1.00 0.00 C ATOM 1301 C GLY A 88 12.803 4.389 10.576 1.00 0.00 C ATOM 1302 O GLY A 88 13.099 4.134 9.409 1.00 0.00 O ATOM 0 H GLY A 88 15.241 4.677 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.832 3.564 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.669 5.308 12.303 1.00 0.00 H new ATOM 1306 N TYR A 89 11.555 4.610 10.975 1.00 0.00 N ATOM 1307 CA TYR A 89 10.436 4.562 10.042 1.00 0.00 C ATOM 1308 C TYR A 89 10.314 5.872 9.269 1.00 0.00 C ATOM 1309 O TYR A 89 10.354 6.956 9.852 1.00 0.00 O ATOM 1310 CB TYR A 89 9.133 4.276 10.790 1.00 0.00 C ATOM 1311 CG TYR A 89 8.803 2.804 10.891 1.00 0.00 C ATOM 1312 CD1 TYR A 89 8.253 2.119 9.815 1.00 0.00 C ATOM 1313 CD2 TYR A 89 9.044 2.097 12.063 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.949 0.774 9.904 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.746 0.752 12.160 1.00 0.00 C ATOM 1316 CZ TYR A 89 8.198 0.095 11.078 1.00 0.00 C ATOM 1317 OH TYR A 89 7.899 -1.245 11.170 1.00 0.00 O ATOM 0 H TYR A 89 11.293 4.824 11.937 1.00 0.00 H new ATOM 0 HA TYR A 89 10.624 3.757 9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.201 4.694 11.794 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.314 4.789 10.286 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.060 2.647 8.893 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.472 2.608 12.913 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.519 0.257 9.059 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.941 0.218 13.078 1.00 0.00 H new ATOM 0 HH TYR A 89 8.136 -1.573 12.063 1.00 0.00 H new ATOM 1327 N GLY A 90 10.166 5.764 7.953 1.00 0.00 N ATOM 1328 CA GLY A 90 10.040 6.946 7.120 1.00 0.00 C ATOM 1329 C GLY A 90 8.608 7.431 7.014 1.00 0.00 C ATOM 1330 O GLY A 90 7.657 6.673 7.211 1.00 0.00 O ATOM 0 H GLY A 90 10.131 4.879 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.661 7.743 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.421 6.726 6.123 1.00 0.00 H new ATOM 1334 N PRO A 91 8.438 8.723 6.696 1.00 0.00 N ATOM 1335 CA PRO A 91 7.114 9.337 6.557 1.00 0.00 C ATOM 1336 C PRO A 91 6.368 8.834 5.326 1.00 0.00 C ATOM 1337 O PRO A 91 6.975 8.551 4.292 1.00 0.00 O ATOM 1338 CB PRO A 91 7.427 10.829 6.421 1.00 0.00 C ATOM 1339 CG PRO A 91 8.812 10.877 5.873 1.00 0.00 C ATOM 1340 CD PRO A 91 9.526 9.684 6.447 1.00 0.00 C ATOM 0 HA PRO A 91 6.464 9.099 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.720 11.323 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.364 11.336 7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.802 10.839 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.311 11.804 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.264 9.284 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.057 9.937 7.365 1.00 0.00 H new ATOM 1348 N PHE A 92 5.049 8.726 5.442 1.00 0.00 N ATOM 1349 CA PHE A 92 4.220 8.257 4.337 1.00 0.00 C ATOM 1350 C PHE A 92 4.322 9.201 3.142 1.00 0.00 C ATOM 1351 O PHE A 92 4.665 10.373 3.290 1.00 0.00 O ATOM 1352 CB PHE A 92 2.761 8.136 4.782 1.00 0.00 C ATOM 1353 CG PHE A 92 2.465 6.866 5.527 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.507 5.642 4.879 1.00 0.00 C ATOM 1355 CD2 PHE A 92 2.144 6.896 6.875 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.236 4.471 5.562 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.873 5.728 7.562 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.917 4.514 6.905 1.00 0.00 C ATOM 0 H PHE A 92 4.531 8.957 6.290 1.00 0.00 H new ATOM 0 HA PHE A 92 4.583 7.275 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.511 8.987 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.116 8.192 3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.754 5.602 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.105 7.842 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.274 3.523 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.627 5.765 8.613 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.703 3.601 7.440 1.00 0.00 H new ATOM 1368 N GLY A 93 4.022 8.679 1.957 1.00 0.00 N ATOM 1369 CA GLY A 93 4.087 9.487 0.753 1.00 0.00 C ATOM 1370 C GLY A 93 2.714 9.859 0.230 1.00 0.00 C ATOM 1371 O GLY A 93 1.753 9.942 0.995 1.00 0.00 O ATOM 0 H GLY A 93 3.735 7.711 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.652 10.396 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.631 8.941 -0.018 1.00 0.00 H new ATOM 1375 N GLN A 94 2.621 10.086 -1.076 1.00 0.00 N ATOM 1376 CA GLN A 94 1.355 10.455 -1.699 1.00 0.00 C ATOM 1377 C GLN A 94 0.355 9.306 -1.620 1.00 0.00 C ATOM 1378 O GLN A 94 0.694 8.156 -1.894 1.00 0.00 O ATOM 1379 CB GLN A 94 1.577 10.853 -3.159 1.00 0.00 C ATOM 1380 CG GLN A 94 1.944 12.317 -3.341 1.00 0.00 C ATOM 1381 CD GLN A 94 3.383 12.610 -2.966 1.00 0.00 C ATOM 1382 OE1 GLN A 94 4.311 11.997 -3.493 1.00 0.00 O ATOM 1383 NE2 GLN A 94 3.577 13.552 -2.050 1.00 0.00 N ATOM 0 H GLN A 94 3.407 10.021 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 94 0.947 11.307 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.369 10.233 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.671 10.641 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.778 12.603 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.282 12.932 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.779 14.036 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.524 13.792 -1.758 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.879 9.627 -1.243 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.928 8.621 -1.127 1.00 0.00 C ATOM 1394 C GLU A 95 -1.984 7.746 -2.376 1.00 0.00 C ATOM 1395 O GLU A 95 -1.924 8.246 -3.500 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.285 9.290 -0.899 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.339 10.143 0.358 1.00 0.00 C ATOM 1398 CD GLU A 95 -3.783 9.357 1.577 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -4.676 8.497 1.435 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -3.237 9.604 2.673 1.00 0.00 O ATOM 0 H GLU A 95 -1.176 10.575 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.695 7.988 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.523 9.913 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.055 8.521 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.354 10.571 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.023 10.976 0.198 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.097 6.438 -2.171 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.161 5.493 -3.280 1.00 0.00 C ATOM 1409 C HIS A 96 -3.603 5.081 -3.560 1.00 0.00 C ATOM 1410 O HIS A 96 -4.310 4.612 -2.668 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.315 4.256 -2.973 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.175 3.323 -4.136 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -1.225 3.743 -5.449 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -0.983 1.984 -4.179 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -1.072 2.703 -6.248 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -0.923 1.623 -5.502 1.00 0.00 N ATOM 0 H HIS A 96 -2.146 6.008 -1.247 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.763 5.985 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.323 4.575 -2.652 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.763 3.718 -2.138 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -1.359 4.707 -5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.894 1.322 -3.330 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.069 2.731 -7.328 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.033 5.259 -4.805 1.00 0.00 N ATOM 1426 CA HIS A 97 -5.391 4.906 -5.203 1.00 0.00 C ATOM 1427 C HIS A 97 -5.385 3.714 -6.155 1.00 0.00 C ATOM 1428 O HIS A 97 -5.038 3.845 -7.329 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.078 6.100 -5.867 1.00 0.00 C ATOM 1430 CG HIS A 97 -5.844 7.397 -5.155 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -4.769 8.218 -5.421 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -6.556 8.014 -4.183 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -4.828 9.283 -4.642 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -5.904 9.184 -3.881 1.00 0.00 N ATOM 0 H HIS A 97 -3.461 5.646 -5.556 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.946 4.630 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.722 6.189 -6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.150 5.910 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.467 7.653 -3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.118 10.096 -4.629 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.202 9.866 -3.183 1.00 0.00 H new ATOM 1443 N SER A 98 -5.772 2.550 -5.641 1.00 0.00 N ATOM 1444 CA SER A 98 -5.807 1.334 -6.445 1.00 0.00 C ATOM 1445 C SER A 98 -6.659 1.532 -7.694 1.00 0.00 C ATOM 1446 O SER A 98 -7.767 2.064 -7.624 1.00 0.00 O ATOM 1447 CB SER A 98 -6.356 0.168 -5.619 1.00 0.00 C ATOM 1448 OG SER A 98 -5.580 -0.040 -4.452 1.00 0.00 O ATOM 0 H SER A 98 -6.065 2.424 -4.672 1.00 0.00 H new ATOM 0 HA SER A 98 -4.788 1.103 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.390 0.371 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.361 -0.739 -6.223 1.00 0.00 H new ATOM 0 HG SER A 98 -6.149 -0.402 -3.741 1.00 0.00 H new