USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 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 49:sc= 0.496 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 19 SER OG : rot 41:sc= 0.651 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 18:sc= -0.507 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 3:sc= 0.255 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.325 K(o=-0.33,f=-0.83) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.3) 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 30:sc= -0.207 USER MOD Single : A 80 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0261 USER MOD Single : A 94 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.3!) USER MOD Single : A 96 HIS : no HD1:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 98 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.496 6.838 6.090 1.00 0.00 N ATOM 67 CA PRO A 8 13.591 6.761 4.629 1.00 0.00 C ATOM 68 C PRO A 8 12.590 7.679 3.935 1.00 0.00 C ATOM 69 O PRO A 8 11.673 8.219 4.553 1.00 0.00 O ATOM 70 CB PRO A 8 13.268 5.295 4.329 1.00 0.00 C ATOM 71 CG PRO A 8 12.438 4.846 5.482 1.00 0.00 C ATOM 72 CD PRO A 8 12.944 5.605 6.677 1.00 0.00 C ATOM 0 HA PRO A 8 14.569 7.079 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.727 5.193 3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.177 4.700 4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.382 5.053 5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.531 3.771 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.143 5.820 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.705 5.042 7.218 1.00 0.00 H new ATOM 80 N PRO A 9 12.769 7.863 2.618 1.00 0.00 N ATOM 81 CA PRO A 9 11.891 8.715 1.811 1.00 0.00 C ATOM 82 C PRO A 9 10.500 8.115 1.638 1.00 0.00 C ATOM 83 O PRO A 9 10.349 6.900 1.511 1.00 0.00 O ATOM 84 CB PRO A 9 12.612 8.791 0.463 1.00 0.00 C ATOM 85 CG PRO A 9 13.431 7.548 0.400 1.00 0.00 C ATOM 86 CD PRO A 9 13.842 7.251 1.816 1.00 0.00 C ATOM 0 HA PRO A 9 11.725 9.686 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.903 8.840 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.238 9.681 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.856 6.723 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.303 7.687 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.917 6.179 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.815 7.682 2.051 1.00 0.00 H new ATOM 94 N ALA A 10 9.486 8.974 1.634 1.00 0.00 N ATOM 95 CA ALA A 10 8.108 8.529 1.474 1.00 0.00 C ATOM 96 C ALA A 10 7.912 7.818 0.139 1.00 0.00 C ATOM 97 O ALA A 10 8.132 8.399 -0.923 1.00 0.00 O ATOM 98 CB ALA A 10 7.155 9.709 1.590 1.00 0.00 C ATOM 0 H ALA A 10 9.594 9.983 1.740 1.00 0.00 H new ATOM 0 HA ALA A 10 7.887 7.818 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.129 9.361 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.267 10.172 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.385 10.440 0.815 1.00 0.00 H new ATOM 104 N VAL A 11 7.497 6.556 0.201 1.00 0.00 N ATOM 105 CA VAL A 11 7.271 5.766 -1.003 1.00 0.00 C ATOM 106 C VAL A 11 6.497 6.564 -2.047 1.00 0.00 C ATOM 107 O VAL A 11 5.432 7.111 -1.761 1.00 0.00 O ATOM 108 CB VAL A 11 6.500 4.470 -0.687 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.305 3.644 -1.950 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.226 3.665 0.380 1.00 0.00 C ATOM 0 H VAL A 11 7.311 6.060 1.072 1.00 0.00 H new ATOM 0 HA VAL A 11 8.252 5.508 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 11 5.516 4.737 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.759 2.732 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.739 4.223 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.277 3.384 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.667 2.753 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.223 3.406 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.308 4.259 1.290 1.00 0.00 H new ATOM 120 N SER A 12 7.040 6.625 -3.258 1.00 0.00 N ATOM 121 CA SER A 12 6.403 7.359 -4.345 1.00 0.00 C ATOM 122 C SER A 12 6.349 6.513 -5.614 1.00 0.00 C ATOM 123 O SER A 12 6.863 5.394 -5.649 1.00 0.00 O ATOM 124 CB SER A 12 7.155 8.663 -4.619 1.00 0.00 C ATOM 125 OG SER A 12 7.406 9.368 -3.416 1.00 0.00 O ATOM 0 H SER A 12 7.920 6.175 -3.511 1.00 0.00 H new ATOM 0 HA SER A 12 5.383 7.594 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.098 8.444 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.572 9.288 -5.296 1.00 0.00 H new ATOM 0 HG SER A 12 7.793 8.758 -2.754 1.00 0.00 H new ATOM 131 N ASP A 13 5.725 7.056 -6.653 1.00 0.00 N ATOM 132 CA ASP A 13 5.605 6.353 -7.925 1.00 0.00 C ATOM 133 C ASP A 13 5.187 4.902 -7.707 1.00 0.00 C ATOM 134 O ASP A 13 5.844 3.978 -8.189 1.00 0.00 O ATOM 135 CB ASP A 13 6.929 6.406 -8.689 1.00 0.00 C ATOM 136 CG ASP A 13 7.062 7.659 -9.532 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.020 8.248 -9.889 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.208 8.052 -9.833 1.00 0.00 O ATOM 0 H ASP A 13 5.294 7.981 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 13 4.834 6.850 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.756 6.359 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.010 5.529 -9.332 1.00 0.00 H new ATOM 143 N ILE A 14 4.093 4.710 -6.979 1.00 0.00 N ATOM 144 CA ILE A 14 3.588 3.372 -6.697 1.00 0.00 C ATOM 145 C ILE A 14 2.670 2.885 -7.812 1.00 0.00 C ATOM 146 O ILE A 14 1.539 3.353 -7.948 1.00 0.00 O ATOM 147 CB ILE A 14 2.823 3.329 -5.361 1.00 0.00 C ATOM 148 CG1 ILE A 14 3.767 3.639 -4.197 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.168 1.969 -5.170 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.078 4.290 -3.018 1.00 0.00 C ATOM 0 H ILE A 14 3.539 5.464 -6.573 1.00 0.00 H new ATOM 0 HA ILE A 14 4.455 2.715 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 14 2.041 4.088 -5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.239 2.714 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.563 4.295 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.631 1.954 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.469 1.784 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.934 1.194 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.807 4.481 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.629 5.232 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.300 3.627 -2.639 1.00 0.00 H new ATOM 162 N ARG A 15 3.162 1.941 -8.607 1.00 0.00 N ATOM 163 CA ARG A 15 2.385 1.389 -9.711 1.00 0.00 C ATOM 164 C ARG A 15 1.692 0.095 -9.294 1.00 0.00 C ATOM 165 O ARG A 15 2.240 -0.696 -8.527 1.00 0.00 O ATOM 166 CB ARG A 15 3.288 1.131 -10.919 1.00 0.00 C ATOM 167 CG ARG A 15 2.523 0.826 -12.196 1.00 0.00 C ATOM 168 CD ARG A 15 2.220 -0.659 -12.323 1.00 0.00 C ATOM 169 NE ARG A 15 2.090 -1.074 -13.717 1.00 0.00 N ATOM 170 CZ ARG A 15 3.079 -0.999 -14.602 1.00 0.00 C ATOM 171 NH1 ARG A 15 4.264 -0.527 -14.238 1.00 0.00 N ATOM 172 NH2 ARG A 15 2.884 -1.396 -15.852 1.00 0.00 N ATOM 0 H ARG A 15 4.095 1.542 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 15 1.622 2.117 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.919 2.004 -11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.951 0.296 -10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.591 1.391 -12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.105 1.155 -13.057 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.015 -1.233 -11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.298 -0.888 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 15 1.191 -1.442 -14.029 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.418 -0.221 -13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.021 -0.470 -14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.974 -1.760 -16.136 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.644 -1.338 -16.530 1.00 0.00 H new ATOM 186 N VAL A 16 0.482 -0.113 -9.805 1.00 0.00 N ATOM 187 CA VAL A 16 -0.286 -1.310 -9.487 1.00 0.00 C ATOM 188 C VAL A 16 -0.678 -2.064 -10.753 1.00 0.00 C ATOM 189 O VAL A 16 -1.453 -1.567 -11.571 1.00 0.00 O ATOM 190 CB VAL A 16 -1.560 -0.965 -8.693 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.349 0.128 -9.398 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.416 -2.207 -8.494 1.00 0.00 C ATOM 0 H VAL A 16 0.013 0.532 -10.441 1.00 0.00 H new ATOM 0 HA VAL A 16 0.355 -1.944 -8.874 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.266 -0.593 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.246 0.358 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.733 1.023 -9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.634 -0.213 -10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.312 -1.945 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.703 -2.611 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.848 -2.956 -7.943 1.00 0.00 H new ATOM 202 N THR A 17 -0.137 -3.269 -10.908 1.00 0.00 N ATOM 203 CA THR A 17 -0.429 -4.092 -12.075 1.00 0.00 C ATOM 204 C THR A 17 -1.215 -5.339 -11.685 1.00 0.00 C ATOM 205 O THR A 17 -1.339 -5.662 -10.503 1.00 0.00 O ATOM 206 CB THR A 17 0.862 -4.519 -12.799 1.00 0.00 C ATOM 207 OG1 THR A 17 0.539 -5.227 -14.000 1.00 0.00 O ATOM 208 CG2 THR A 17 1.720 -5.398 -11.901 1.00 0.00 C ATOM 0 H THR A 17 0.505 -3.696 -10.240 1.00 0.00 H new ATOM 0 HA THR A 17 -1.030 -3.482 -12.749 1.00 0.00 H new ATOM 0 HB THR A 17 1.427 -3.621 -13.049 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.365 -5.493 -14.455 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.626 -5.687 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.989 -4.846 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.161 -6.292 -11.625 1.00 0.00 H new ATOM 216 N ARG A 18 -1.744 -6.036 -12.685 1.00 0.00 N ATOM 217 CA ARG A 18 -2.519 -7.248 -12.446 1.00 0.00 C ATOM 218 C ARG A 18 -3.767 -6.941 -11.623 1.00 0.00 C ATOM 219 O ARG A 18 -4.130 -7.699 -10.723 1.00 0.00 O ATOM 220 CB ARG A 18 -1.664 -8.292 -11.726 1.00 0.00 C ATOM 221 CG ARG A 18 -0.904 -9.212 -12.668 1.00 0.00 C ATOM 222 CD ARG A 18 -0.069 -10.227 -11.903 1.00 0.00 C ATOM 223 NE ARG A 18 1.148 -9.633 -11.356 1.00 0.00 N ATOM 224 CZ ARG A 18 2.116 -10.339 -10.783 1.00 0.00 C ATOM 225 NH1 ARG A 18 2.010 -11.657 -10.683 1.00 0.00 N ATOM 226 NH2 ARG A 18 3.194 -9.727 -10.309 1.00 0.00 N ATOM 0 H ARG A 18 -1.650 -5.782 -13.669 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.830 -7.647 -13.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.952 -7.782 -11.077 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.306 -8.894 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.609 -9.733 -13.316 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.256 -8.619 -13.313 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.663 -10.648 -11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.196 -11.051 -12.565 1.00 0.00 H new ATOM 0 HE ARG A 18 1.261 -8.621 -11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.183 -12.131 -11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.755 -12.197 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.280 -8.713 -10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.937 -10.270 -9.869 1.00 0.00 H new ATOM 240 N SER A 19 -4.418 -5.826 -11.938 1.00 0.00 N ATOM 241 CA SER A 19 -5.623 -5.417 -11.225 1.00 0.00 C ATOM 242 C SER A 19 -6.682 -6.514 -11.275 1.00 0.00 C ATOM 243 O SER A 19 -7.367 -6.685 -12.283 1.00 0.00 O ATOM 244 CB SER A 19 -6.181 -4.125 -11.823 1.00 0.00 C ATOM 245 OG SER A 19 -6.442 -4.275 -13.208 1.00 0.00 O ATOM 0 H SER A 19 -4.132 -5.190 -12.682 1.00 0.00 H new ATOM 0 HA SER A 19 -5.357 -5.241 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.099 -3.847 -11.305 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.470 -3.313 -11.670 1.00 0.00 H new ATOM 0 HG SER A 19 -6.847 -5.152 -13.371 1.00 0.00 H new ATOM 251 N SER A 20 -6.810 -7.255 -10.178 1.00 0.00 N ATOM 252 CA SER A 20 -7.783 -8.338 -10.097 1.00 0.00 C ATOM 253 C SER A 20 -9.071 -7.862 -9.431 1.00 0.00 C ATOM 254 O SER A 20 -9.089 -6.883 -8.684 1.00 0.00 O ATOM 255 CB SER A 20 -7.200 -9.519 -9.319 1.00 0.00 C ATOM 256 OG SER A 20 -6.449 -10.368 -10.170 1.00 0.00 O ATOM 0 H SER A 20 -6.252 -7.125 -9.334 1.00 0.00 H new ATOM 0 HA SER A 20 -8.016 -8.660 -11.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.564 -9.150 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.006 -10.086 -8.854 1.00 0.00 H new ATOM 0 HG SER A 20 -6.085 -11.114 -9.649 1.00 0.00 H new ATOM 262 N PRO A 21 -10.176 -8.572 -9.707 1.00 0.00 N ATOM 263 CA PRO A 21 -11.489 -8.242 -9.145 1.00 0.00 C ATOM 264 C PRO A 21 -11.565 -8.521 -7.648 1.00 0.00 C ATOM 265 O PRO A 21 -12.426 -7.985 -6.950 1.00 0.00 O ATOM 266 CB PRO A 21 -12.443 -9.163 -9.910 1.00 0.00 C ATOM 267 CG PRO A 21 -11.598 -10.314 -10.336 1.00 0.00 C ATOM 268 CD PRO A 21 -10.227 -9.750 -10.588 1.00 0.00 C ATOM 0 HA PRO A 21 -11.723 -7.182 -9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.269 -9.490 -9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.881 -8.654 -10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.568 -11.083 -9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.999 -10.781 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.445 -10.469 -10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.091 -9.476 -11.634 1.00 0.00 H new ATOM 276 N SER A 22 -10.660 -9.363 -7.160 1.00 0.00 N ATOM 277 CA SER A 22 -10.627 -9.716 -5.746 1.00 0.00 C ATOM 278 C SER A 22 -9.205 -9.635 -5.199 1.00 0.00 C ATOM 279 O SER A 22 -8.876 -10.271 -4.197 1.00 0.00 O ATOM 280 CB SER A 22 -11.187 -11.124 -5.536 1.00 0.00 C ATOM 281 OG SER A 22 -12.576 -11.167 -5.813 1.00 0.00 O ATOM 0 H SER A 22 -9.939 -9.814 -7.724 1.00 0.00 H new ATOM 0 HA SER A 22 -11.248 -9.002 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.662 -11.828 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.008 -11.440 -4.508 1.00 0.00 H new ATOM 0 HG SER A 22 -12.909 -12.078 -5.673 1.00 0.00 H new ATOM 287 N SER A 23 -8.365 -8.848 -5.864 1.00 0.00 N ATOM 288 CA SER A 23 -6.977 -8.687 -5.448 1.00 0.00 C ATOM 289 C SER A 23 -6.321 -7.524 -6.186 1.00 0.00 C ATOM 290 O SER A 23 -6.798 -7.091 -7.236 1.00 0.00 O ATOM 291 CB SER A 23 -6.193 -9.975 -5.703 1.00 0.00 C ATOM 292 OG SER A 23 -6.457 -10.940 -4.699 1.00 0.00 O ATOM 0 H SER A 23 -8.622 -8.312 -6.693 1.00 0.00 H new ATOM 0 HA SER A 23 -6.966 -8.470 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.459 -10.379 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.126 -9.756 -5.729 1.00 0.00 H new ATOM 0 HG SER A 23 -7.277 -10.698 -4.220 1.00 0.00 H new ATOM 298 N LEU A 24 -5.223 -7.022 -5.630 1.00 0.00 N ATOM 299 CA LEU A 24 -4.500 -5.909 -6.234 1.00 0.00 C ATOM 300 C LEU A 24 -3.016 -5.972 -5.887 1.00 0.00 C ATOM 301 O LEU A 24 -2.624 -5.727 -4.747 1.00 0.00 O ATOM 302 CB LEU A 24 -5.089 -4.578 -5.766 1.00 0.00 C ATOM 303 CG LEU A 24 -6.522 -4.284 -6.210 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.158 -3.239 -5.306 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.547 -3.824 -7.660 1.00 0.00 C ATOM 0 H LEU A 24 -4.815 -7.369 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.605 -5.984 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.055 -4.552 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.447 -3.774 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.102 -5.203 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.178 -3.043 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.175 -3.607 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.578 -2.317 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.575 -3.619 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.951 -2.917 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.133 -4.606 -8.297 1.00 0.00 H new ATOM 317 N SER A 25 -2.195 -6.301 -6.880 1.00 0.00 N ATOM 318 CA SER A 25 -0.753 -6.397 -6.679 1.00 0.00 C ATOM 319 C SER A 25 -0.102 -5.019 -6.743 1.00 0.00 C ATOM 320 O SER A 25 -0.159 -4.340 -7.769 1.00 0.00 O ATOM 321 CB SER A 25 -0.131 -7.317 -7.732 1.00 0.00 C ATOM 322 OG SER A 25 1.177 -7.710 -7.356 1.00 0.00 O ATOM 0 H SER A 25 -2.503 -6.505 -7.831 1.00 0.00 H new ATOM 0 HA SER A 25 -0.576 -6.817 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.756 -8.200 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.098 -6.805 -8.693 1.00 0.00 H new ATOM 0 HG SER A 25 1.552 -8.299 -8.044 1.00 0.00 H new ATOM 328 N LEU A 26 0.515 -4.612 -5.639 1.00 0.00 N ATOM 329 CA LEU A 26 1.178 -3.314 -5.568 1.00 0.00 C ATOM 330 C LEU A 26 2.690 -3.467 -5.699 1.00 0.00 C ATOM 331 O LEU A 26 3.260 -4.475 -5.282 1.00 0.00 O ATOM 332 CB LEU A 26 0.836 -2.617 -4.250 1.00 0.00 C ATOM 333 CG LEU A 26 -0.650 -2.373 -3.985 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.921 -2.301 -2.490 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.111 -1.097 -4.675 1.00 0.00 C ATOM 0 H LEU A 26 0.570 -5.161 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 26 0.820 -2.704 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.237 -3.215 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.351 -1.657 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.216 -3.210 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.984 -2.127 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.628 -3.241 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.346 -1.484 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.171 -0.938 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.540 -0.251 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.953 -1.187 -5.750 1.00 0.00 H new ATOM 347 N ALA A 27 3.333 -2.459 -6.279 1.00 0.00 N ATOM 348 CA ALA A 27 4.779 -2.480 -6.461 1.00 0.00 C ATOM 349 C ALA A 27 5.336 -1.066 -6.592 1.00 0.00 C ATOM 350 O ALA A 27 4.843 -0.266 -7.388 1.00 0.00 O ATOM 351 CB ALA A 27 5.146 -3.309 -7.683 1.00 0.00 C ATOM 0 H ALA A 27 2.876 -1.618 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 27 5.225 -2.938 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.229 -3.316 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.790 -4.331 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.683 -2.876 -8.569 1.00 0.00 H new ATOM 357 N TRP A 28 6.364 -0.766 -5.808 1.00 0.00 N ATOM 358 CA TRP A 28 6.987 0.553 -5.836 1.00 0.00 C ATOM 359 C TRP A 28 8.404 0.474 -6.395 1.00 0.00 C ATOM 360 O TRP A 28 8.953 -0.614 -6.565 1.00 0.00 O ATOM 361 CB TRP A 28 7.013 1.158 -4.432 1.00 0.00 C ATOM 362 CG TRP A 28 7.098 0.131 -3.344 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.112 -0.027 -2.443 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.132 -0.882 -3.044 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.834 -1.077 -1.601 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.625 -1.618 -1.949 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.897 -1.239 -3.594 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.926 -2.687 -1.396 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.205 -2.300 -3.044 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.720 -3.014 -1.953 1.00 0.00 C ATOM 0 H TRP A 28 6.784 -1.417 -5.145 1.00 0.00 H new ATOM 0 HA TRP A 28 6.394 1.193 -6.489 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.864 1.834 -4.351 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.115 1.758 -4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.002 0.584 -2.399 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.431 -1.401 -0.840 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.491 -0.695 -4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.322 -3.239 -0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.251 -2.585 -3.462 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.154 -3.838 -1.544 1.00 0.00 H new ATOM 381 N ALA A 29 8.989 1.633 -6.679 1.00 0.00 N ATOM 382 CA ALA A 29 10.342 1.693 -7.217 1.00 0.00 C ATOM 383 C ALA A 29 11.365 1.911 -6.107 1.00 0.00 C ATOM 384 O ALA A 29 11.380 2.958 -5.459 1.00 0.00 O ATOM 385 CB ALA A 29 10.448 2.798 -8.258 1.00 0.00 C ATOM 0 H ALA A 29 8.547 2.543 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 29 10.559 0.737 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.464 2.831 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.750 2.600 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.206 3.756 -7.798 1.00 0.00 H new ATOM 391 N VAL A 30 12.219 0.915 -5.891 1.00 0.00 N ATOM 392 CA VAL A 30 13.245 0.998 -4.859 1.00 0.00 C ATOM 393 C VAL A 30 13.783 2.419 -4.731 1.00 0.00 C ATOM 394 O VAL A 30 14.648 2.853 -5.492 1.00 0.00 O ATOM 395 CB VAL A 30 14.417 0.043 -5.155 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.472 0.138 -4.064 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.915 -1.386 -5.299 1.00 0.00 C ATOM 0 H VAL A 30 12.220 0.041 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 30 12.774 0.705 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 30 14.876 0.340 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.292 -0.544 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.852 1.158 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.029 -0.133 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.756 -2.048 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.430 -1.696 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.199 -1.439 -6.119 1.00 0.00 H new ATOM 407 N PRO A 31 13.259 3.163 -3.746 1.00 0.00 N ATOM 408 CA PRO A 31 13.671 4.547 -3.494 1.00 0.00 C ATOM 409 C PRO A 31 15.090 4.637 -2.941 1.00 0.00 C ATOM 410 O PRO A 31 15.657 3.640 -2.495 1.00 0.00 O ATOM 411 CB PRO A 31 12.660 5.035 -2.454 1.00 0.00 C ATOM 412 CG PRO A 31 12.200 3.798 -1.763 1.00 0.00 C ATOM 413 CD PRO A 31 12.223 2.711 -2.802 1.00 0.00 C ATOM 0 HA PRO A 31 13.683 5.141 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.119 5.733 -1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.828 5.558 -2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.854 3.552 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.197 3.928 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.471 1.743 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.255 2.601 -3.290 1.00 0.00 H new ATOM 421 N ARG A 32 15.657 5.839 -2.973 1.00 0.00 N ATOM 422 CA ARG A 32 17.009 6.059 -2.475 1.00 0.00 C ATOM 423 C ARG A 32 16.982 6.730 -1.105 1.00 0.00 C ATOM 424 O ARG A 32 16.380 7.790 -0.934 1.00 0.00 O ATOM 425 CB ARG A 32 17.805 6.917 -3.460 1.00 0.00 C ATOM 426 CG ARG A 32 16.955 7.928 -4.212 1.00 0.00 C ATOM 427 CD ARG A 32 17.808 8.830 -5.090 1.00 0.00 C ATOM 428 NE ARG A 32 18.869 9.488 -4.332 1.00 0.00 N ATOM 429 CZ ARG A 32 19.855 10.177 -4.895 1.00 0.00 C ATOM 430 NH1 ARG A 32 19.915 10.299 -6.214 1.00 0.00 N ATOM 431 NH2 ARG A 32 20.783 10.748 -4.138 1.00 0.00 N ATOM 0 H ARG A 32 15.201 6.675 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 32 17.494 5.088 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.589 7.446 -2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.300 6.265 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.224 7.404 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.395 8.535 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.249 8.241 -5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.175 9.584 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 32 18.852 9.414 -3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 32 19.203 9.863 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.674 10.829 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.739 10.658 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 32 21.540 11.277 -4.571 1.00 0.00 H new ATOM 445 N ALA A 33 17.638 6.106 -0.133 1.00 0.00 N ATOM 446 CA ALA A 33 17.691 6.644 1.221 1.00 0.00 C ATOM 447 C ALA A 33 19.002 7.382 1.468 1.00 0.00 C ATOM 448 O ALA A 33 20.048 7.040 0.917 1.00 0.00 O ATOM 449 CB ALA A 33 17.511 5.528 2.240 1.00 0.00 C ATOM 0 H ALA A 33 18.140 5.227 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 33 16.876 7.359 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.553 5.944 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.545 5.047 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.306 4.792 2.118 1.00 0.00 H new ATOM 455 N PRO A 34 18.947 8.420 2.316 1.00 0.00 N ATOM 456 CA PRO A 34 20.122 9.228 2.655 1.00 0.00 C ATOM 457 C PRO A 34 21.128 8.460 3.506 1.00 0.00 C ATOM 458 O PRO A 34 22.253 8.914 3.715 1.00 0.00 O ATOM 459 CB PRO A 34 19.532 10.397 3.448 1.00 0.00 C ATOM 460 CG PRO A 34 18.263 9.865 4.019 1.00 0.00 C ATOM 461 CD PRO A 34 17.733 8.884 3.009 1.00 0.00 C ATOM 0 HA PRO A 34 20.676 9.534 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.212 10.726 4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.347 11.258 2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.440 9.380 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.548 10.668 4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.204 8.060 3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.032 9.355 2.320 1.00 0.00 H new ATOM 469 N SER A 35 20.715 7.295 3.995 1.00 0.00 N ATOM 470 CA SER A 35 21.579 6.466 4.826 1.00 0.00 C ATOM 471 C SER A 35 21.202 4.993 4.701 1.00 0.00 C ATOM 472 O SER A 35 20.035 4.653 4.510 1.00 0.00 O ATOM 473 CB SER A 35 21.489 6.905 6.289 1.00 0.00 C ATOM 474 OG SER A 35 22.044 8.196 6.470 1.00 0.00 O ATOM 0 H SER A 35 19.787 6.904 3.830 1.00 0.00 H new ATOM 0 HA SER A 35 22.605 6.591 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 35 20.447 6.906 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 22.015 6.188 6.920 1.00 0.00 H new ATOM 0 HG SER A 35 22.325 8.556 5.603 1.00 0.00 H new ATOM 480 N GLY A 36 22.201 4.121 4.810 1.00 0.00 N ATOM 481 CA GLY A 36 21.955 2.695 4.707 1.00 0.00 C ATOM 482 C GLY A 36 21.048 2.346 3.544 1.00 0.00 C ATOM 483 O GLY A 36 21.207 2.872 2.444 1.00 0.00 O ATOM 0 H GLY A 36 23.176 4.377 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.905 2.173 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.505 2.339 5.634 1.00 0.00 H new ATOM 487 N ALA A 37 20.093 1.454 3.788 1.00 0.00 N ATOM 488 CA ALA A 37 19.156 1.035 2.753 1.00 0.00 C ATOM 489 C ALA A 37 17.844 0.554 3.362 1.00 0.00 C ATOM 490 O ALA A 37 17.777 0.242 4.551 1.00 0.00 O ATOM 491 CB ALA A 37 19.774 -0.058 1.893 1.00 0.00 C ATOM 0 H ALA A 37 19.948 1.008 4.694 1.00 0.00 H new ATOM 0 HA ALA A 37 18.938 1.898 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.063 -0.361 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.681 0.320 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.021 -0.916 2.518 1.00 0.00 H new ATOM 497 N VAL A 38 16.801 0.498 2.540 1.00 0.00 N ATOM 498 CA VAL A 38 15.489 0.054 2.998 1.00 0.00 C ATOM 499 C VAL A 38 15.518 -1.414 3.407 1.00 0.00 C ATOM 500 O VAL A 38 16.140 -2.244 2.742 1.00 0.00 O ATOM 501 CB VAL A 38 14.418 0.252 1.909 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.034 -0.054 2.460 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.480 1.666 1.352 1.00 0.00 C ATOM 0 H VAL A 38 16.839 0.754 1.553 1.00 0.00 H new ATOM 0 HA VAL A 38 15.232 0.664 3.864 1.00 0.00 H new ATOM 0 HB VAL A 38 14.620 -0.443 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.290 0.091 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.000 -1.087 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.818 0.614 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.716 1.788 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.304 2.382 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.464 1.843 0.917 1.00 0.00 H new ATOM 513 N LEU A 39 14.840 -1.729 4.505 1.00 0.00 N ATOM 514 CA LEU A 39 14.786 -3.099 5.004 1.00 0.00 C ATOM 515 C LEU A 39 13.427 -3.729 4.720 1.00 0.00 C ATOM 516 O LEU A 39 13.328 -4.709 3.981 1.00 0.00 O ATOM 517 CB LEU A 39 15.070 -3.126 6.507 1.00 0.00 C ATOM 518 CG LEU A 39 16.317 -2.372 6.969 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.367 -2.303 8.488 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.573 -3.033 6.422 1.00 0.00 C ATOM 0 H LEU A 39 14.320 -1.055 5.067 1.00 0.00 H new ATOM 0 HA LEU A 39 15.549 -3.679 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.206 -2.712 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.162 -4.166 6.820 1.00 0.00 H new ATOM 0 HG LEU A 39 16.268 -1.355 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.261 -1.763 8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.483 -1.784 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.393 -3.313 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.451 -2.483 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.628 -4.061 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.541 -3.029 5.332 1.00 0.00 H new ATOM 532 N ASP A 40 12.382 -3.160 5.309 1.00 0.00 N ATOM 533 CA ASP A 40 11.027 -3.663 5.117 1.00 0.00 C ATOM 534 C ASP A 40 10.071 -2.530 4.760 1.00 0.00 C ATOM 535 O ASP A 40 10.471 -1.367 4.685 1.00 0.00 O ATOM 536 CB ASP A 40 10.541 -4.378 6.379 1.00 0.00 C ATOM 537 CG ASP A 40 11.495 -5.466 6.832 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.722 -5.250 6.753 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.013 -6.533 7.265 1.00 0.00 O ATOM 0 H ASP A 40 12.447 -2.349 5.924 1.00 0.00 H new ATOM 0 HA ASP A 40 11.045 -4.373 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.418 -3.650 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.560 -4.814 6.191 1.00 0.00 H new ATOM 544 N TYR A 41 8.808 -2.875 4.539 1.00 0.00 N ATOM 545 CA TYR A 41 7.795 -1.887 4.185 1.00 0.00 C ATOM 546 C TYR A 41 6.496 -2.144 4.942 1.00 0.00 C ATOM 547 O TYR A 41 6.317 -3.199 5.550 1.00 0.00 O ATOM 548 CB TYR A 41 7.534 -1.910 2.678 1.00 0.00 C ATOM 549 CG TYR A 41 8.791 -1.810 1.844 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.655 -2.892 1.723 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.115 -0.635 1.178 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.805 -2.805 0.962 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.262 -0.540 0.414 1.00 0.00 C ATOM 554 CZ TYR A 41 11.104 -1.628 0.310 1.00 0.00 C ATOM 555 OH TYR A 41 12.249 -1.536 -0.449 1.00 0.00 O ATOM 0 H TYR A 41 8.460 -3.832 4.599 1.00 0.00 H new ATOM 0 HA TYR A 41 8.170 -0.903 4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.011 -2.831 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.870 -1.085 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.424 -3.816 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.459 0.219 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.466 -3.655 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.498 0.381 -0.099 1.00 0.00 H new ATOM 0 HH TYR A 41 12.310 -0.640 -0.841 1.00 0.00 H new ATOM 565 N GLU A 42 5.591 -1.170 4.899 1.00 0.00 N ATOM 566 CA GLU A 42 4.308 -1.290 5.581 1.00 0.00 C ATOM 567 C GLU A 42 3.173 -0.782 4.697 1.00 0.00 C ATOM 568 O GLU A 42 3.134 0.393 4.333 1.00 0.00 O ATOM 569 CB GLU A 42 4.331 -0.513 6.899 1.00 0.00 C ATOM 570 CG GLU A 42 3.417 -1.095 7.964 1.00 0.00 C ATOM 571 CD GLU A 42 3.760 -2.531 8.307 1.00 0.00 C ATOM 572 OE1 GLU A 42 4.702 -2.743 9.099 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.087 -3.444 7.783 1.00 0.00 O ATOM 0 H GLU A 42 5.723 -0.291 4.400 1.00 0.00 H new ATOM 0 HA GLU A 42 4.135 -2.345 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.352 -0.491 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.040 0.520 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.481 -0.485 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.385 -1.045 7.618 1.00 0.00 H new ATOM 580 N VAL A 43 2.250 -1.676 4.356 1.00 0.00 N ATOM 581 CA VAL A 43 1.114 -1.319 3.515 1.00 0.00 C ATOM 582 C VAL A 43 -0.148 -1.129 4.349 1.00 0.00 C ATOM 583 O VAL A 43 -0.645 -2.071 4.968 1.00 0.00 O ATOM 584 CB VAL A 43 0.850 -2.392 2.442 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.340 -2.003 1.579 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.091 -2.606 1.588 1.00 0.00 C ATOM 0 H VAL A 43 2.267 -2.653 4.649 1.00 0.00 H new ATOM 0 HA VAL A 43 1.367 -0.380 3.024 1.00 0.00 H new ATOM 0 HB VAL A 43 0.614 -3.331 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.511 -2.773 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.227 -1.904 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.136 -1.053 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.888 -3.367 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.360 -1.671 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.916 -2.933 2.221 1.00 0.00 H new ATOM 596 N LYS A 44 -0.664 0.095 4.362 1.00 0.00 N ATOM 597 CA LYS A 44 -1.870 0.410 5.118 1.00 0.00 C ATOM 598 C LYS A 44 -3.007 0.815 4.186 1.00 0.00 C ATOM 599 O LYS A 44 -2.903 1.803 3.458 1.00 0.00 O ATOM 600 CB LYS A 44 -1.591 1.535 6.118 1.00 0.00 C ATOM 601 CG LYS A 44 -2.571 1.575 7.278 1.00 0.00 C ATOM 602 CD LYS A 44 -2.303 2.758 8.193 1.00 0.00 C ATOM 603 CE LYS A 44 -3.066 3.994 7.743 1.00 0.00 C ATOM 604 NZ LYS A 44 -3.396 4.889 8.887 1.00 0.00 N ATOM 0 H LYS A 44 -0.265 0.886 3.857 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.171 -0.485 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.581 1.418 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.621 2.491 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.589 1.634 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.499 0.649 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.590 2.503 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.235 2.974 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.471 4.542 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.985 3.691 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.916 5.720 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.985 4.374 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.518 5.199 9.350 1.00 0.00 H new ATOM 618 N TYR A 45 -4.091 0.048 4.214 1.00 0.00 N ATOM 619 CA TYR A 45 -5.247 0.327 3.370 1.00 0.00 C ATOM 620 C TYR A 45 -6.515 0.457 4.209 1.00 0.00 C ATOM 621 O TYR A 45 -6.611 -0.103 5.301 1.00 0.00 O ATOM 622 CB TYR A 45 -5.423 -0.779 2.328 1.00 0.00 C ATOM 623 CG TYR A 45 -5.569 -2.159 2.928 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.461 -2.859 3.388 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.817 -2.761 3.036 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.591 -4.121 3.936 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.956 -4.022 3.584 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.840 -4.698 4.032 1.00 0.00 C ATOM 629 OH TYR A 45 -5.973 -5.953 4.579 1.00 0.00 O ATOM 0 H TYR A 45 -4.194 -0.772 4.812 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.072 1.274 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.303 -0.560 1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.565 -0.773 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.482 -2.410 3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.693 -2.235 2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.719 -4.653 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.933 -4.476 3.661 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.918 -6.214 4.574 1.00 0.00 H new ATOM 639 N HIS A 46 -7.487 1.200 3.689 1.00 0.00 N ATOM 640 CA HIS A 46 -8.750 1.404 4.388 1.00 0.00 C ATOM 641 C HIS A 46 -9.787 2.035 3.463 1.00 0.00 C ATOM 642 O HIS A 46 -9.523 3.053 2.823 1.00 0.00 O ATOM 643 CB HIS A 46 -8.541 2.288 5.617 1.00 0.00 C ATOM 644 CG HIS A 46 -8.343 3.736 5.287 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.385 4.182 4.401 1.00 0.00 N ATOM 646 CD2 HIS A 46 -8.988 4.841 5.729 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.448 5.498 4.314 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.413 5.923 5.109 1.00 0.00 N ATOM 0 H HIS A 46 -7.424 1.670 2.786 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.120 0.430 4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.403 2.189 6.277 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.673 1.928 6.170 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.803 4.867 6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.817 6.121 3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.687 6.897 5.241 1.00 0.00 H new ATOM 657 N GLU A 47 -10.966 1.424 3.399 1.00 0.00 N ATOM 658 CA GLU A 47 -12.041 1.926 2.551 1.00 0.00 C ATOM 659 C GLU A 47 -12.273 3.415 2.791 1.00 0.00 C ATOM 660 O GLU A 47 -12.624 3.830 3.896 1.00 0.00 O ATOM 661 CB GLU A 47 -13.332 1.149 2.812 1.00 0.00 C ATOM 662 CG GLU A 47 -14.269 1.106 1.617 1.00 0.00 C ATOM 663 CD GLU A 47 -15.513 0.279 1.880 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.391 -0.794 2.506 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.609 0.707 1.460 1.00 0.00 O ATOM 0 H GLU A 47 -11.201 0.581 3.924 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.745 1.785 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.080 0.129 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.854 1.601 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.562 2.122 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.738 0.694 0.759 1.00 0.00 H new ATOM 672 N LYS A 48 -12.072 4.215 1.749 1.00 0.00 N ATOM 673 CA LYS A 48 -12.260 5.658 1.845 1.00 0.00 C ATOM 674 C LYS A 48 -13.441 5.995 2.749 1.00 0.00 C ATOM 675 O LYS A 48 -13.282 6.660 3.772 1.00 0.00 O ATOM 676 CB LYS A 48 -12.482 6.257 0.454 1.00 0.00 C ATOM 677 CG LYS A 48 -12.760 7.750 0.472 1.00 0.00 C ATOM 678 CD LYS A 48 -12.410 8.399 -0.857 1.00 0.00 C ATOM 679 CE LYS A 48 -12.036 9.863 -0.681 1.00 0.00 C ATOM 680 NZ LYS A 48 -13.236 10.744 -0.660 1.00 0.00 N ATOM 0 H LYS A 48 -11.779 3.888 0.828 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.358 6.088 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.601 6.067 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.318 5.746 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.813 7.922 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.184 8.219 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.580 7.863 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.258 8.318 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.479 9.986 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.375 10.169 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.938 11.733 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.754 10.646 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.855 10.469 0.129 1.00 0.00 H new ATOM 769 N VAL A 56 -9.084 0.526 9.492 1.00 0.00 N ATOM 770 CA VAL A 56 -7.889 0.360 8.673 1.00 0.00 C ATOM 771 C VAL A 56 -7.062 -0.832 9.142 1.00 0.00 C ATOM 772 O VAL A 56 -6.957 -1.095 10.340 1.00 0.00 O ATOM 773 CB VAL A 56 -7.009 1.624 8.701 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.785 2.087 10.133 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.683 1.366 8.002 1.00 0.00 C ATOM 0 HA VAL A 56 -8.227 0.184 7.652 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.528 2.418 8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.161 2.981 10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.745 2.314 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.288 1.298 10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.074 2.270 8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.156 0.557 8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.867 1.086 6.965 1.00 0.00 H new ATOM 785 N ARG A 57 -6.476 -1.550 8.189 1.00 0.00 N ATOM 786 CA ARG A 57 -5.658 -2.715 8.504 1.00 0.00 C ATOM 787 C ARG A 57 -4.181 -2.427 8.252 1.00 0.00 C ATOM 788 O ARG A 57 -3.816 -1.333 7.821 1.00 0.00 O ATOM 789 CB ARG A 57 -6.104 -3.918 7.671 1.00 0.00 C ATOM 790 CG ARG A 57 -7.484 -4.437 8.040 1.00 0.00 C ATOM 791 CD ARG A 57 -7.638 -5.908 7.688 1.00 0.00 C ATOM 792 NE ARG A 57 -8.884 -6.467 8.205 1.00 0.00 N ATOM 793 CZ ARG A 57 -9.142 -7.769 8.254 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.244 -8.643 7.819 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.299 -8.201 8.738 1.00 0.00 N ATOM 0 H ARG A 57 -6.553 -1.345 7.193 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.790 -2.945 9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.099 -3.641 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.378 -4.722 7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.653 -4.298 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.244 -3.855 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.610 -6.026 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.794 -6.468 8.092 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.596 -5.822 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.353 -8.316 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.445 -9.642 7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.993 -7.533 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.495 -9.201 8.775 1.00 0.00 H new ATOM 809 N PHE A 58 -3.336 -3.416 8.525 1.00 0.00 N ATOM 810 CA PHE A 58 -1.899 -3.268 8.329 1.00 0.00 C ATOM 811 C PHE A 58 -1.300 -4.533 7.722 1.00 0.00 C ATOM 812 O PHE A 58 -1.720 -5.647 8.039 1.00 0.00 O ATOM 813 CB PHE A 58 -1.211 -2.953 9.659 1.00 0.00 C ATOM 814 CG PHE A 58 -1.180 -1.487 9.986 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.356 -0.785 10.193 1.00 0.00 C ATOM 816 CD2 PHE A 58 0.026 -0.812 10.086 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.330 0.564 10.492 1.00 0.00 C ATOM 818 CE2 PHE A 58 0.058 0.537 10.385 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.122 1.225 10.590 1.00 0.00 C ATOM 0 H PHE A 58 -3.622 -4.328 8.882 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.735 -2.441 7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.725 -3.485 10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.189 -3.332 9.629 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.304 -1.298 10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.951 -1.346 9.929 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.254 1.101 10.649 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.004 1.052 10.458 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.100 2.279 10.827 1.00 0.00 H new ATOM 829 N LEU A 59 -0.317 -4.354 6.846 1.00 0.00 N ATOM 830 CA LEU A 59 0.340 -5.480 6.192 1.00 0.00 C ATOM 831 C LEU A 59 1.857 -5.317 6.220 1.00 0.00 C ATOM 832 O LEU A 59 2.403 -4.389 5.623 1.00 0.00 O ATOM 833 CB LEU A 59 -0.144 -5.610 4.747 1.00 0.00 C ATOM 834 CG LEU A 59 0.684 -6.522 3.841 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.193 -7.958 3.937 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.631 -6.033 2.401 1.00 0.00 C ATOM 0 H LEU A 59 0.042 -3.439 6.572 1.00 0.00 H new ATOM 0 HA LEU A 59 0.080 -6.387 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.170 -5.979 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.169 -4.615 4.302 1.00 0.00 H new ATOM 0 HG LEU A 59 1.721 -6.491 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.794 -8.592 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.284 -8.306 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.851 -8.007 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.226 -6.694 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.402 -6.034 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.032 -5.021 2.345 1.00 0.00 H new ATOM 848 N LYS A 60 2.532 -6.225 6.916 1.00 0.00 N ATOM 849 CA LYS A 60 3.986 -6.185 7.020 1.00 0.00 C ATOM 850 C LYS A 60 4.632 -7.049 5.942 1.00 0.00 C ATOM 851 O LYS A 60 4.442 -8.265 5.909 1.00 0.00 O ATOM 852 CB LYS A 60 4.432 -6.659 8.404 1.00 0.00 C ATOM 853 CG LYS A 60 4.456 -5.555 9.447 1.00 0.00 C ATOM 854 CD LYS A 60 4.543 -6.120 10.855 1.00 0.00 C ATOM 855 CE LYS A 60 4.727 -5.017 11.887 1.00 0.00 C ATOM 856 NZ LYS A 60 5.220 -5.552 13.187 1.00 0.00 N ATOM 0 H LYS A 60 2.095 -6.999 7.417 1.00 0.00 H new ATOM 0 HA LYS A 60 4.308 -5.154 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.763 -7.451 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.428 -7.095 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.307 -4.899 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.557 -4.945 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.637 -6.682 11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.376 -6.820 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.432 -4.278 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.779 -4.502 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.333 -4.770 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.535 -6.239 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.137 -6.021 13.044 1.00 0.00 H new ATOM 870 N THR A 61 5.398 -6.414 5.061 1.00 0.00 N ATOM 871 CA THR A 61 6.073 -7.124 3.982 1.00 0.00 C ATOM 872 C THR A 61 7.465 -6.554 3.734 1.00 0.00 C ATOM 873 O THR A 61 7.625 -5.353 3.519 1.00 0.00 O ATOM 874 CB THR A 61 5.263 -7.058 2.673 1.00 0.00 C ATOM 875 OG1 THR A 61 5.808 -7.971 1.714 1.00 0.00 O ATOM 876 CG2 THR A 61 5.273 -5.648 2.101 1.00 0.00 C ATOM 0 H THR A 61 5.567 -5.408 5.074 1.00 0.00 H new ATOM 0 HA THR A 61 6.160 -8.164 4.295 1.00 0.00 H new ATOM 0 HB THR A 61 4.233 -7.336 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.287 -7.925 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.695 -5.626 1.177 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.832 -4.960 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.300 -5.347 1.894 1.00 0.00 H new ATOM 884 N SER A 62 8.470 -7.424 3.766 1.00 0.00 N ATOM 885 CA SER A 62 9.850 -7.006 3.548 1.00 0.00 C ATOM 886 C SER A 62 10.214 -7.086 2.069 1.00 0.00 C ATOM 887 O SER A 62 11.300 -7.541 1.710 1.00 0.00 O ATOM 888 CB SER A 62 10.804 -7.876 4.368 1.00 0.00 C ATOM 889 OG SER A 62 10.740 -9.231 3.957 1.00 0.00 O ATOM 0 H SER A 62 8.354 -8.422 3.941 1.00 0.00 H new ATOM 0 HA SER A 62 9.946 -5.970 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.824 -7.507 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.551 -7.801 5.426 1.00 0.00 H new ATOM 0 HG SER A 62 11.360 -9.766 4.495 1.00 0.00 H new ATOM 895 N GLU A 63 9.298 -6.641 1.215 1.00 0.00 N ATOM 896 CA GLU A 63 9.522 -6.664 -0.226 1.00 0.00 C ATOM 897 C GLU A 63 8.895 -5.442 -0.893 1.00 0.00 C ATOM 898 O GLU A 63 8.003 -4.807 -0.335 1.00 0.00 O ATOM 899 CB GLU A 63 8.945 -7.943 -0.835 1.00 0.00 C ATOM 900 CG GLU A 63 9.805 -9.173 -0.595 1.00 0.00 C ATOM 901 CD GLU A 63 9.004 -10.460 -0.629 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.289 -10.741 0.355 1.00 0.00 O ATOM 903 OE2 GLU A 63 9.094 -11.186 -1.642 1.00 0.00 O ATOM 0 H GLU A 63 8.394 -6.260 1.496 1.00 0.00 H new ATOM 0 HA GLU A 63 10.598 -6.641 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.952 -8.117 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.821 -7.800 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.589 -9.217 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.300 -9.083 0.372 1.00 0.00 H new ATOM 910 N ASN A 64 9.371 -5.121 -2.092 1.00 0.00 N ATOM 911 CA ASN A 64 8.859 -3.976 -2.836 1.00 0.00 C ATOM 912 C ASN A 64 7.633 -4.364 -3.656 1.00 0.00 C ATOM 913 O ASN A 64 7.276 -3.684 -4.618 1.00 0.00 O ATOM 914 CB ASN A 64 9.944 -3.412 -3.756 1.00 0.00 C ATOM 915 CG ASN A 64 9.967 -4.096 -5.109 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.845 -5.318 -5.202 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.125 -3.309 -6.167 1.00 0.00 N ATOM 0 H ASN A 64 10.110 -5.638 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 64 8.566 -3.210 -2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.780 -2.343 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.917 -3.525 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.149 -3.712 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.222 -2.301 -6.043 1.00 0.00 H new ATOM 924 N ARG A 65 6.991 -5.461 -3.267 1.00 0.00 N ATOM 925 CA ARG A 65 5.805 -5.941 -3.966 1.00 0.00 C ATOM 926 C ARG A 65 4.927 -6.775 -3.038 1.00 0.00 C ATOM 927 O ARG A 65 5.423 -7.609 -2.282 1.00 0.00 O ATOM 928 CB ARG A 65 6.207 -6.770 -5.187 1.00 0.00 C ATOM 929 CG ARG A 65 7.148 -7.918 -4.861 1.00 0.00 C ATOM 930 CD ARG A 65 7.798 -8.479 -6.116 1.00 0.00 C ATOM 931 NE ARG A 65 6.826 -9.127 -6.992 1.00 0.00 N ATOM 932 CZ ARG A 65 7.163 -9.886 -8.030 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.441 -10.091 -8.318 1.00 0.00 N ATOM 934 NH2 ARG A 65 6.221 -10.441 -8.781 1.00 0.00 N ATOM 0 H ARG A 65 7.272 -6.034 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 65 5.233 -5.074 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.308 -7.170 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.684 -6.117 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.920 -7.573 -4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.597 -8.708 -4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.295 -7.674 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.569 -9.197 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 65 5.834 -8.990 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.168 -9.666 -7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.697 -10.674 -9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.237 -10.286 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.481 -11.023 -9.577 1.00 0.00 H new ATOM 948 N ALA A 66 3.620 -6.542 -3.101 1.00 0.00 N ATOM 949 CA ALA A 66 2.673 -7.272 -2.268 1.00 0.00 C ATOM 950 C ALA A 66 1.362 -7.513 -3.009 1.00 0.00 C ATOM 951 O ALA A 66 1.087 -6.875 -4.025 1.00 0.00 O ATOM 952 CB ALA A 66 2.418 -6.516 -0.972 1.00 0.00 C ATOM 0 H ALA A 66 3.193 -5.853 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 66 3.109 -8.242 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.709 -7.073 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.355 -6.401 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.007 -5.532 -1.199 1.00 0.00 H new ATOM 958 N GLU A 67 0.557 -8.437 -2.494 1.00 0.00 N ATOM 959 CA GLU A 67 -0.724 -8.762 -3.109 1.00 0.00 C ATOM 960 C GLU A 67 -1.850 -8.710 -2.081 1.00 0.00 C ATOM 961 O GLU A 67 -1.927 -9.551 -1.184 1.00 0.00 O ATOM 962 CB GLU A 67 -0.669 -10.150 -3.751 1.00 0.00 C ATOM 963 CG GLU A 67 -1.898 -10.486 -4.580 1.00 0.00 C ATOM 964 CD GLU A 67 -1.608 -11.505 -5.665 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.031 -11.120 -6.703 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.959 -12.689 -5.476 1.00 0.00 O ATOM 0 H GLU A 67 0.769 -8.973 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.926 -8.020 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.215 -10.213 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.553 -10.899 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.680 -10.871 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.284 -9.575 -5.036 1.00 0.00 H new ATOM 973 N LEU A 68 -2.722 -7.717 -2.217 1.00 0.00 N ATOM 974 CA LEU A 68 -3.845 -7.553 -1.300 1.00 0.00 C ATOM 975 C LEU A 68 -5.033 -8.403 -1.737 1.00 0.00 C ATOM 976 O LEU A 68 -5.838 -7.981 -2.569 1.00 0.00 O ATOM 977 CB LEU A 68 -4.256 -6.082 -1.223 1.00 0.00 C ATOM 978 CG LEU A 68 -3.165 -5.102 -0.788 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.664 -3.669 -0.888 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.706 -5.411 0.630 1.00 0.00 C ATOM 0 H LEU A 68 -2.673 -7.013 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.527 -7.887 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.622 -5.776 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.092 -5.995 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.313 -5.216 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.874 -2.986 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.943 -3.452 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.533 -3.540 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.930 -4.704 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.551 -5.326 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.308 -6.425 0.671 1.00 0.00 H new ATOM 992 N ARG A 69 -5.139 -9.600 -1.170 1.00 0.00 N ATOM 993 CA ARG A 69 -6.230 -10.509 -1.501 1.00 0.00 C ATOM 994 C ARG A 69 -7.446 -10.241 -0.619 1.00 0.00 C ATOM 995 O ARG A 69 -7.314 -9.983 0.576 1.00 0.00 O ATOM 996 CB ARG A 69 -5.779 -11.961 -1.340 1.00 0.00 C ATOM 997 CG ARG A 69 -4.671 -12.365 -2.299 1.00 0.00 C ATOM 998 CD ARG A 69 -4.532 -13.877 -2.384 1.00 0.00 C ATOM 999 NE ARG A 69 -3.660 -14.407 -1.339 1.00 0.00 N ATOM 1000 CZ ARG A 69 -3.450 -15.704 -1.144 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -4.046 -16.599 -1.920 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.641 -16.108 -0.173 1.00 0.00 N ATOM 0 H ARG A 69 -4.483 -9.963 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.511 -10.337 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.436 -12.115 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.636 -12.618 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.881 -11.961 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.727 -11.930 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.517 -14.337 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.134 -14.150 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.186 -13.745 -0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.667 -16.292 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.883 -17.594 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.180 -15.422 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.481 -17.104 -0.024 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.631 -10.304 -1.219 1.00 0.00 N ATOM 1017 CA GLY A 70 -9.854 -10.066 -0.474 1.00 0.00 C ATOM 1018 C GLY A 70 -10.171 -8.590 -0.336 1.00 0.00 C ATOM 1019 O GLY A 70 -9.869 -7.975 0.688 1.00 0.00 O ATOM 0 H GLY A 70 -8.766 -10.516 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.683 -10.567 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.764 -10.509 0.518 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.779 -8.019 -1.370 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.136 -6.604 -1.361 1.00 0.00 C ATOM 1025 C LEU A 71 -12.465 -6.374 -2.074 1.00 0.00 C ATOM 1026 O LEU A 71 -13.086 -7.313 -2.572 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.036 -5.777 -2.028 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.673 -5.787 -1.334 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.611 -5.174 -2.234 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.745 -5.046 -0.007 1.00 0.00 C ATOM 0 H LEU A 71 -11.035 -8.513 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.242 -6.287 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.905 -6.139 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.378 -4.744 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.396 -6.822 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.648 -5.190 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.541 -5.748 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.881 -4.144 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.766 -5.063 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.045 -4.013 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.475 -5.530 0.641 1.00 0.00 H new ATOM 1042 N LYS A 72 -12.895 -5.117 -2.120 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.148 -4.761 -2.775 1.00 0.00 C ATOM 1044 C LYS A 72 -13.887 -4.021 -4.083 1.00 0.00 C ATOM 1045 O LYS A 72 -13.523 -2.845 -4.080 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.003 -3.894 -1.848 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.790 -4.692 -0.823 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.072 -5.251 -1.418 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.159 -5.394 -0.364 1.00 0.00 C ATOM 1050 NZ LYS A 72 -19.191 -6.391 -0.764 1.00 0.00 N ATOM 0 H LYS A 72 -12.394 -4.328 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.686 -5.682 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.357 -3.187 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.697 -3.308 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.175 -5.510 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.030 -4.056 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.421 -4.595 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.871 -6.223 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.710 -5.696 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.633 -4.427 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.914 -6.460 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.637 -6.091 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.743 -7.320 -0.898 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.077 -4.717 -5.199 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.863 -4.126 -6.514 1.00 0.00 C ATOM 1066 C ARG A 73 -14.841 -2.982 -6.762 1.00 0.00 C ATOM 1067 O ARG A 73 -16.006 -3.051 -6.371 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.016 -5.187 -7.605 1.00 0.00 C ATOM 1069 CG ARG A 73 -13.518 -4.736 -8.968 1.00 0.00 C ATOM 1070 CD ARG A 73 -14.619 -4.056 -9.767 1.00 0.00 C ATOM 1071 NE ARG A 73 -14.149 -3.603 -11.073 1.00 0.00 N ATOM 1072 CZ ARG A 73 -13.851 -4.425 -12.073 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -13.975 -5.736 -11.917 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -13.428 -3.936 -13.232 1.00 0.00 N ATOM 0 H ARG A 73 -14.379 -5.691 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.849 -3.727 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.472 -6.083 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.067 -5.464 -7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.681 -4.049 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.143 -5.596 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.450 -4.749 -9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.002 -3.204 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.044 -2.600 -11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.300 -6.115 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.746 -6.365 -12.686 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.331 -2.928 -13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.199 -4.568 -13.999 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.359 -1.928 -7.414 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.204 -0.784 -7.702 1.00 0.00 C ATOM 1090 C GLY A 74 -15.218 0.226 -6.572 1.00 0.00 C ATOM 1091 O GLY A 74 -15.294 1.431 -6.808 1.00 0.00 O ATOM 0 H GLY A 74 -13.399 -1.846 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.855 -0.299 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.221 -1.126 -7.892 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.144 -0.267 -5.339 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.148 0.601 -4.168 1.00 0.00 C ATOM 1097 C ALA A 75 -13.826 1.350 -4.035 1.00 0.00 C ATOM 1098 O ALA A 75 -12.755 0.778 -4.237 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.427 -0.210 -2.911 1.00 0.00 C ATOM 0 H ALA A 75 -15.081 -1.263 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.941 1.338 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.427 0.451 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.400 -0.694 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.654 -0.969 -2.789 1.00 0.00 H new ATOM 1105 N SER A 76 -13.909 2.632 -3.695 1.00 0.00 N ATOM 1106 CA SER A 76 -12.719 3.460 -3.540 1.00 0.00 C ATOM 1107 C SER A 76 -11.837 2.936 -2.411 1.00 0.00 C ATOM 1108 O SER A 76 -12.310 2.690 -1.301 1.00 0.00 O ATOM 1109 CB SER A 76 -13.114 4.912 -3.262 1.00 0.00 C ATOM 1110 OG SER A 76 -13.997 5.399 -4.258 1.00 0.00 O ATOM 0 H SER A 76 -14.788 3.120 -3.522 1.00 0.00 H new ATOM 0 HA SER A 76 -12.153 3.417 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.590 4.982 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.220 5.535 -3.227 1.00 0.00 H new ATOM 0 HG SER A 76 -14.236 6.328 -4.057 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.551 2.769 -2.702 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.602 2.272 -1.713 1.00 0.00 C ATOM 1118 C TYR A 77 -8.343 3.134 -1.686 1.00 0.00 C ATOM 1119 O TYR A 77 -7.635 3.252 -2.687 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.232 0.819 -2.015 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.155 -0.188 -1.367 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.051 -0.484 -0.013 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -11.131 -0.843 -2.107 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.891 -1.404 0.584 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.977 -1.763 -1.518 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.853 -2.040 -0.173 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.693 -2.957 0.417 1.00 0.00 O ATOM 0 H TYR A 77 -10.142 2.971 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.077 2.323 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.242 0.667 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.212 0.635 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.300 0.014 0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.230 -0.629 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.795 -1.624 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.731 -2.262 -2.108 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.829 -2.719 1.358 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.070 3.734 -0.533 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.896 4.585 -0.372 1.00 0.00 C ATOM 1139 C LEU A 78 -5.768 3.831 0.325 1.00 0.00 C ATOM 1140 O LEU A 78 -5.741 3.728 1.551 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.256 5.839 0.426 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.248 6.795 -0.237 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.916 7.678 0.805 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.550 7.643 -1.289 1.00 0.00 C ATOM 0 H LEU A 78 -8.646 3.647 0.305 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.553 4.879 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.668 5.528 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.338 6.388 0.636 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.019 6.203 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.619 8.352 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.451 7.054 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.158 8.262 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.272 8.317 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.757 8.226 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.120 6.995 -2.052 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.837 3.306 -0.466 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.704 2.564 0.075 1.00 0.00 C ATOM 1158 C VAL A 79 -2.482 3.462 0.228 1.00 0.00 C ATOM 1159 O VAL A 79 -2.198 4.293 -0.634 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.338 1.366 -0.821 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -2.171 0.592 -0.228 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.544 0.460 -1.017 1.00 0.00 C ATOM 0 H VAL A 79 -4.845 3.381 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.006 2.196 1.055 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.033 1.744 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.927 -0.251 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.305 1.248 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.444 0.223 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.268 -0.381 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.881 0.088 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.349 1.023 -1.490 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.761 3.289 1.331 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.568 4.084 1.597 1.00 0.00 C ATOM 1174 C GLN A 80 0.612 3.190 1.965 1.00 0.00 C ATOM 1175 O GLN A 80 0.566 2.460 2.955 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.837 5.084 2.724 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.520 6.358 2.256 1.00 0.00 C ATOM 1178 CD GLN A 80 -3.032 6.246 2.260 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -3.607 5.491 3.045 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.684 6.998 1.382 1.00 0.00 N ATOM 0 H GLN A 80 -1.982 2.605 2.055 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.316 4.630 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.458 4.606 3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.108 5.343 3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.219 7.184 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.180 6.599 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.167 7.609 0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.703 6.965 1.339 1.00 0.00 H new ATOM 1189 N VAL A 81 1.668 3.252 1.160 1.00 0.00 N ATOM 1190 CA VAL A 81 2.861 2.449 1.401 1.00 0.00 C ATOM 1191 C VAL A 81 3.994 3.302 1.960 1.00 0.00 C ATOM 1192 O VAL A 81 4.105 4.487 1.646 1.00 0.00 O ATOM 1193 CB VAL A 81 3.341 1.757 0.112 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.599 0.945 0.379 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.241 0.878 -0.462 1.00 0.00 C ATOM 0 H VAL A 81 1.722 3.850 0.335 1.00 0.00 H new ATOM 0 HA VAL A 81 2.588 1.688 2.133 1.00 0.00 H new ATOM 0 HB VAL A 81 3.582 2.524 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.924 0.463 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.388 1.605 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.388 0.185 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.598 0.397 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.966 0.116 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.369 1.490 -0.693 1.00 0.00 H new ATOM 1205 N ARG A 82 4.834 2.691 2.790 1.00 0.00 N ATOM 1206 CA ARG A 82 5.959 3.395 3.393 1.00 0.00 C ATOM 1207 C ARG A 82 7.212 2.525 3.384 1.00 0.00 C ATOM 1208 O ARG A 82 7.161 1.349 3.024 1.00 0.00 O ATOM 1209 CB ARG A 82 5.621 3.806 4.827 1.00 0.00 C ATOM 1210 CG ARG A 82 5.447 2.629 5.773 1.00 0.00 C ATOM 1211 CD ARG A 82 5.730 3.025 7.214 1.00 0.00 C ATOM 1212 NE ARG A 82 4.528 3.494 7.898 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.551 4.274 8.973 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.708 4.672 9.483 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.414 4.659 9.540 1.00 0.00 N ATOM 0 H ARG A 82 4.756 1.710 3.060 1.00 0.00 H new ATOM 0 HA ARG A 82 6.154 4.290 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.412 4.453 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.704 4.395 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.430 2.244 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.117 1.822 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.143 2.171 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.487 3.809 7.233 1.00 0.00 H new ATOM 0 HE ARG A 82 3.621 3.207 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.584 4.379 9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.722 5.271 10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.521 4.356 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.433 5.258 10.365 1.00 0.00 H new ATOM 1229 N ALA A 83 8.337 3.111 3.781 1.00 0.00 N ATOM 1230 CA ALA A 83 9.602 2.390 3.820 1.00 0.00 C ATOM 1231 C ALA A 83 10.204 2.412 5.221 1.00 0.00 C ATOM 1232 O ALA A 83 9.799 3.208 6.069 1.00 0.00 O ATOM 1233 CB ALA A 83 10.579 2.982 2.815 1.00 0.00 C ATOM 0 H ALA A 83 8.397 4.084 4.080 1.00 0.00 H new ATOM 0 HA ALA A 83 9.407 1.351 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.520 2.433 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.159 2.908 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.759 4.029 3.057 1.00 0.00 H new ATOM 1239 N ARG A 84 11.173 1.534 5.458 1.00 0.00 N ATOM 1240 CA ARG A 84 11.829 1.452 6.758 1.00 0.00 C ATOM 1241 C ARG A 84 13.341 1.327 6.596 1.00 0.00 C ATOM 1242 O ARG A 84 13.827 0.484 5.842 1.00 0.00 O ATOM 1243 CB ARG A 84 11.290 0.261 7.551 1.00 0.00 C ATOM 1244 CG ARG A 84 11.899 0.126 8.937 1.00 0.00 C ATOM 1245 CD ARG A 84 11.905 -1.321 9.405 1.00 0.00 C ATOM 1246 NE ARG A 84 10.560 -1.889 9.443 1.00 0.00 N ATOM 1247 CZ ARG A 84 10.288 -3.103 9.911 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.262 -3.871 10.378 1.00 0.00 N ATOM 1249 NH2 ARG A 84 9.038 -3.550 9.912 1.00 0.00 N ATOM 0 H ARG A 84 11.521 0.869 4.767 1.00 0.00 H new ATOM 0 HA ARG A 84 11.614 2.370 7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.209 0.359 7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.479 -0.654 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.919 0.510 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.336 0.736 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.531 -1.915 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.351 -1.379 10.398 1.00 0.00 H new ATOM 0 HE ARG A 84 9.787 -1.323 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.224 -3.531 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.050 -4.802 10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.286 -2.962 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.830 -4.482 10.271 1.00 0.00 H new ATOM 1263 N SER A 85 14.079 2.171 7.309 1.00 0.00 N ATOM 1264 CA SER A 85 15.536 2.158 7.242 1.00 0.00 C ATOM 1265 C SER A 85 16.143 1.996 8.632 1.00 0.00 C ATOM 1266 O SER A 85 15.467 2.193 9.642 1.00 0.00 O ATOM 1267 CB SER A 85 16.049 3.446 6.596 1.00 0.00 C ATOM 1268 OG SER A 85 17.263 3.220 5.900 1.00 0.00 O ATOM 0 H SER A 85 13.692 2.873 7.940 1.00 0.00 H new ATOM 0 HA SER A 85 15.839 1.308 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.299 3.835 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.202 4.205 7.363 1.00 0.00 H new ATOM 0 HG SER A 85 17.569 4.058 5.495 1.00 0.00 H new ATOM 1274 N GLU A 86 17.422 1.636 8.675 1.00 0.00 N ATOM 1275 CA GLU A 86 18.120 1.447 9.941 1.00 0.00 C ATOM 1276 C GLU A 86 17.856 2.614 10.888 1.00 0.00 C ATOM 1277 O GLU A 86 17.922 2.465 12.107 1.00 0.00 O ATOM 1278 CB GLU A 86 19.624 1.299 9.703 1.00 0.00 C ATOM 1279 CG GLU A 86 20.030 -0.082 9.216 1.00 0.00 C ATOM 1280 CD GLU A 86 21.274 -0.053 8.349 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.167 0.776 8.623 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.353 -0.858 7.398 1.00 0.00 O ATOM 0 H GLU A 86 17.995 1.470 7.848 1.00 0.00 H new ATOM 0 HA GLU A 86 17.741 0.535 10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.942 2.041 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.153 1.518 10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.206 -0.729 10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.208 -0.520 8.650 1.00 0.00 H new ATOM 1289 N ALA A 87 17.558 3.776 10.316 1.00 0.00 N ATOM 1290 CA ALA A 87 17.283 4.969 11.107 1.00 0.00 C ATOM 1291 C ALA A 87 15.936 4.860 11.814 1.00 0.00 C ATOM 1292 O ALA A 87 15.844 5.046 13.027 1.00 0.00 O ATOM 1293 CB ALA A 87 17.320 6.208 10.225 1.00 0.00 C ATOM 0 H ALA A 87 17.501 3.916 9.307 1.00 0.00 H new ATOM 0 HA ALA A 87 18.058 5.056 11.869 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.113 7.091 10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.307 6.302 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.567 6.120 9.442 1.00 0.00 H new ATOM 1299 N GLY A 88 14.893 4.559 11.047 1.00 0.00 N ATOM 1300 CA GLY A 88 13.565 4.432 11.618 1.00 0.00 C ATOM 1301 C GLY A 88 12.473 4.505 10.569 1.00 0.00 C ATOM 1302 O GLY A 88 12.749 4.737 9.392 1.00 0.00 O ATOM 0 H GLY A 88 14.944 4.401 10.041 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.491 3.483 12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.412 5.222 12.353 1.00 0.00 H new ATOM 1306 N TYR A 89 11.231 4.304 10.995 1.00 0.00 N ATOM 1307 CA TYR A 89 10.094 4.344 10.083 1.00 0.00 C ATOM 1308 C TYR A 89 10.005 5.696 9.383 1.00 0.00 C ATOM 1309 O TYR A 89 10.252 6.739 9.987 1.00 0.00 O ATOM 1310 CB TYR A 89 8.796 4.062 10.840 1.00 0.00 C ATOM 1311 CG TYR A 89 8.441 2.594 10.909 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.905 1.936 9.809 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.642 1.865 12.075 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.579 0.595 9.868 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.320 0.523 12.142 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.788 -0.107 11.036 1.00 0.00 C ATOM 1317 OH TYR A 89 7.466 -1.443 11.099 1.00 0.00 O ATOM 0 H TYR A 89 10.986 4.112 11.966 1.00 0.00 H new ATOM 0 HA TYR A 89 10.240 3.573 9.327 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.884 4.454 11.853 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.980 4.602 10.359 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.740 2.482 8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.057 2.356 12.943 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.163 0.099 9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.484 -0.030 13.055 1.00 0.00 H new ATOM 0 HH TYR A 89 7.676 -1.788 11.992 1.00 0.00 H new ATOM 1327 N GLY A 90 9.650 5.670 8.102 1.00 0.00 N ATOM 1328 CA GLY A 90 9.533 6.899 7.339 1.00 0.00 C ATOM 1329 C GLY A 90 8.091 7.314 7.124 1.00 0.00 C ATOM 1330 O GLY A 90 7.166 6.512 7.257 1.00 0.00 O ATOM 0 H GLY A 90 9.441 4.820 7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.064 7.697 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.019 6.770 6.372 1.00 0.00 H new ATOM 1334 N PRO A 91 7.884 8.595 6.786 1.00 0.00 N ATOM 1335 CA PRO A 91 6.546 9.144 6.547 1.00 0.00 C ATOM 1336 C PRO A 91 5.917 8.602 5.267 1.00 0.00 C ATOM 1337 O PRO A 91 6.614 8.098 4.387 1.00 0.00 O ATOM 1338 CB PRO A 91 6.797 10.649 6.423 1.00 0.00 C ATOM 1339 CG PRO A 91 8.214 10.761 5.977 1.00 0.00 C ATOM 1340 CD PRO A 91 8.939 9.606 6.610 1.00 0.00 C ATOM 0 HA PRO A 91 5.849 8.878 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.118 11.106 5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.640 11.156 7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.286 10.719 4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.647 11.712 6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.744 9.240 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.389 9.887 7.562 1.00 0.00 H new ATOM 1348 N PHE A 92 4.596 8.710 5.171 1.00 0.00 N ATOM 1349 CA PHE A 92 3.873 8.230 3.999 1.00 0.00 C ATOM 1350 C PHE A 92 3.988 9.221 2.845 1.00 0.00 C ATOM 1351 O PHE A 92 4.324 10.387 3.046 1.00 0.00 O ATOM 1352 CB PHE A 92 2.400 7.998 4.342 1.00 0.00 C ATOM 1353 CG PHE A 92 2.143 6.686 5.027 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.380 5.489 4.372 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.663 6.651 6.327 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.145 4.280 4.999 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.426 5.445 6.959 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.666 4.258 6.295 1.00 0.00 C ATOM 0 H PHE A 92 4.004 9.126 5.891 1.00 0.00 H new ATOM 0 HA PHE A 92 4.320 7.285 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.053 8.808 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.811 8.042 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.753 5.500 3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.472 7.576 6.851 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.335 3.354 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.053 5.431 7.972 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.480 3.315 6.787 1.00 0.00 H new ATOM 1368 N GLY A 93 3.708 8.747 1.635 1.00 0.00 N ATOM 1369 CA GLY A 93 3.786 9.604 0.466 1.00 0.00 C ATOM 1370 C GLY A 93 2.419 9.984 -0.067 1.00 0.00 C ATOM 1371 O GLY A 93 1.409 9.797 0.610 1.00 0.00 O ATOM 0 H GLY A 93 3.429 7.785 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.338 10.509 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.349 9.095 -0.317 1.00 0.00 H new ATOM 1375 N GLN A 94 2.388 10.521 -1.282 1.00 0.00 N ATOM 1376 CA GLN A 94 1.135 10.931 -1.904 1.00 0.00 C ATOM 1377 C GLN A 94 0.166 9.757 -2.001 1.00 0.00 C ATOM 1378 O GLN A 94 0.444 8.766 -2.675 1.00 0.00 O ATOM 1379 CB GLN A 94 1.396 11.509 -3.296 1.00 0.00 C ATOM 1380 CG GLN A 94 1.836 12.964 -3.278 1.00 0.00 C ATOM 1381 CD GLN A 94 1.842 13.589 -4.659 1.00 0.00 C ATOM 1382 OE1 GLN A 94 1.213 13.078 -5.587 1.00 0.00 O ATOM 1383 NE2 GLN A 94 2.554 14.700 -4.803 1.00 0.00 N ATOM 0 H GLN A 94 3.216 10.682 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 94 0.683 11.701 -1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.163 10.912 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.489 11.420 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.170 13.533 -2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.835 13.032 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.060 15.088 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.595 15.165 -5.710 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.971 9.877 -1.323 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.980 8.824 -1.333 1.00 0.00 C ATOM 1394 C GLU A 95 -2.056 8.156 -2.703 1.00 0.00 C ATOM 1395 O GLU A 95 -1.969 8.821 -3.736 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.349 9.395 -0.955 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.921 10.344 -1.995 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.847 11.382 -1.391 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -4.663 11.722 -0.204 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -5.755 11.853 -2.107 1.00 0.00 O ATOM 0 H GLU A 95 -1.216 10.692 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.692 8.073 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.047 8.572 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.264 9.920 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.103 10.848 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.465 9.770 -2.745 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.218 6.837 -2.704 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.306 6.078 -3.946 1.00 0.00 C ATOM 1409 C HIS A 96 -3.758 5.749 -4.280 1.00 0.00 C ATOM 1410 O HIS A 96 -4.510 5.275 -3.428 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.490 4.790 -3.840 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.861 3.760 -4.863 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -1.438 3.816 -6.174 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.618 2.643 -4.761 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -1.920 2.779 -6.835 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.639 2.051 -6.000 1.00 0.00 N ATOM 0 H HIS A 96 -2.291 6.271 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.898 6.693 -4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.432 5.030 -3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.623 4.366 -2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.113 2.284 -3.871 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.754 2.563 -7.880 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -3.130 1.189 -6.237 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.146 6.004 -5.526 1.00 0.00 N ATOM 1426 CA HIS A 97 -5.509 5.735 -5.972 1.00 0.00 C ATOM 1427 C HIS A 97 -5.531 4.605 -6.997 1.00 0.00 C ATOM 1428 O HIS A 97 -5.213 4.810 -8.168 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.130 6.997 -6.573 1.00 0.00 C ATOM 1430 CG HIS A 97 -7.624 7.031 -6.480 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -8.441 7.234 -7.572 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -8.449 6.885 -5.417 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -9.704 7.213 -7.184 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -9.736 7.002 -5.881 1.00 0.00 N ATOM 0 H HIS A 97 -3.537 6.396 -6.244 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.095 5.428 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.722 7.870 -6.064 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.837 7.073 -7.620 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.151 6.709 -4.394 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.564 7.346 -7.824 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.580 6.937 -5.312 1.00 0.00 H new ATOM 1443 N SER A 98 -5.909 3.413 -6.548 1.00 0.00 N ATOM 1444 CA SER A 98 -5.968 2.249 -7.424 1.00 0.00 C ATOM 1445 C SER A 98 -7.031 2.436 -8.503 1.00 0.00 C ATOM 1446 O SER A 98 -7.946 3.245 -8.354 1.00 0.00 O ATOM 1447 CB SER A 98 -6.266 0.987 -6.613 1.00 0.00 C ATOM 1448 OG SER A 98 -6.074 -0.179 -7.394 1.00 0.00 O ATOM 0 H SER A 98 -6.179 3.228 -5.582 1.00 0.00 H new ATOM 0 HA SER A 98 -4.997 2.140 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.618 0.952 -5.737 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.293 1.019 -6.249 1.00 0.00 H new ATOM 0 HG SER A 98 -6.679 -0.884 -7.083 1.00 0.00 H new