USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 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= -0.185 USER MOD Single : A 19 SER OG : rot 42:sc= 0.826 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -52:sc= 0.183 USER MOD Single : A 23 SER OG : rot 180:sc= -0.583 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 110: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= -1.71 X(o=-1.7,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.741) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.454 (180deg=-1.57!) 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= -3.07! C(o=-3.1!,f=-4.8!) 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= -5.22! K(o=-5.2!,f=-2.9) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -46:sc= 0.251 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 96 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.61) USER MOD Single : A 97 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.0015) USER MOD Single : A 98 SER OG : rot -110:sc= -0.0138 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.846 7.413 5.440 1.00 0.00 N ATOM 67 CA PRO A 8 13.914 7.318 3.978 1.00 0.00 C ATOM 68 C PRO A 8 12.870 8.192 3.291 1.00 0.00 C ATOM 69 O PRO A 8 11.945 8.706 3.920 1.00 0.00 O ATOM 70 CB PRO A 8 13.634 5.838 3.707 1.00 0.00 C ATOM 71 CG PRO A 8 12.842 5.380 4.882 1.00 0.00 C ATOM 72 CD PRO A 8 13.346 6.173 6.056 1.00 0.00 C ATOM 0 HA PRO A 8 14.873 7.663 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.078 5.704 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.560 5.272 3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.777 5.550 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.973 4.311 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.553 6.373 6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.135 5.643 6.590 1.00 0.00 H new ATOM 80 N PRO A 9 13.020 8.366 1.970 1.00 0.00 N ATOM 81 CA PRO A 9 12.099 9.177 1.168 1.00 0.00 C ATOM 82 C PRO A 9 10.727 8.527 1.027 1.00 0.00 C ATOM 83 O PRO A 9 10.617 7.308 0.900 1.00 0.00 O ATOM 84 CB PRO A 9 12.794 9.262 -0.193 1.00 0.00 C ATOM 85 CG PRO A 9 13.654 8.048 -0.256 1.00 0.00 C ATOM 86 CD PRO A 9 14.100 7.782 1.156 1.00 0.00 C ATOM 0 HA PRO A 9 11.907 10.148 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.069 9.276 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.387 10.172 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.101 7.199 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.510 8.210 -0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.215 6.715 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.061 8.249 1.369 1.00 0.00 H new ATOM 94 N ALA A 10 9.683 9.349 1.048 1.00 0.00 N ATOM 95 CA ALA A 10 8.318 8.854 0.920 1.00 0.00 C ATOM 96 C ALA A 10 8.144 8.051 -0.365 1.00 0.00 C ATOM 97 O ALA A 10 8.336 8.571 -1.465 1.00 0.00 O ATOM 98 CB ALA A 10 7.331 10.011 0.959 1.00 0.00 C ATOM 0 H ALA A 10 9.757 10.361 1.152 1.00 0.00 H new ATOM 0 HA ALA A 10 8.118 8.191 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.316 9.627 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.430 10.542 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.540 10.695 0.137 1.00 0.00 H new ATOM 104 N VAL A 11 7.780 6.781 -0.220 1.00 0.00 N ATOM 105 CA VAL A 11 7.580 5.907 -1.369 1.00 0.00 C ATOM 106 C VAL A 11 6.839 6.630 -2.488 1.00 0.00 C ATOM 107 O VAL A 11 5.653 6.934 -2.365 1.00 0.00 O ATOM 108 CB VAL A 11 6.793 4.641 -0.981 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.661 3.707 -2.174 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.463 3.935 0.188 1.00 0.00 C ATOM 0 H VAL A 11 7.618 6.334 0.683 1.00 0.00 H new ATOM 0 HA VAL A 11 8.570 5.617 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 11 5.791 4.938 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.102 2.818 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.133 4.218 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.653 3.414 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.894 3.043 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.477 3.649 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.499 4.606 1.046 1.00 0.00 H new ATOM 120 N SER A 12 7.547 6.903 -3.579 1.00 0.00 N ATOM 121 CA SER A 12 6.958 7.594 -4.719 1.00 0.00 C ATOM 122 C SER A 12 6.809 6.651 -5.909 1.00 0.00 C ATOM 123 O SER A 12 7.198 5.485 -5.843 1.00 0.00 O ATOM 124 CB SER A 12 7.816 8.798 -5.113 1.00 0.00 C ATOM 125 OG SER A 12 9.123 8.392 -5.483 1.00 0.00 O ATOM 0 H SER A 12 8.530 6.656 -3.697 1.00 0.00 H new ATOM 0 HA SER A 12 5.967 7.943 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.347 9.327 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.871 9.498 -4.279 1.00 0.00 H new ATOM 0 HG SER A 12 9.652 9.179 -5.732 1.00 0.00 H new ATOM 131 N ASP A 13 6.242 7.163 -6.995 1.00 0.00 N ATOM 132 CA ASP A 13 6.041 6.368 -8.201 1.00 0.00 C ATOM 133 C ASP A 13 5.500 4.984 -7.855 1.00 0.00 C ATOM 134 O ASP A 13 6.040 3.969 -8.296 1.00 0.00 O ATOM 135 CB ASP A 13 7.353 6.238 -8.976 1.00 0.00 C ATOM 136 CG ASP A 13 7.768 7.538 -9.636 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.887 8.230 -10.189 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.972 7.864 -9.598 1.00 0.00 O ATOM 0 H ASP A 13 5.913 8.126 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 13 5.308 6.879 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.141 5.911 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.247 5.465 -9.737 1.00 0.00 H new ATOM 143 N ILE A 14 4.433 4.952 -7.064 1.00 0.00 N ATOM 144 CA ILE A 14 3.820 3.693 -6.660 1.00 0.00 C ATOM 145 C ILE A 14 2.905 3.151 -7.753 1.00 0.00 C ATOM 146 O ILE A 14 1.759 3.580 -7.886 1.00 0.00 O ATOM 147 CB ILE A 14 3.010 3.853 -5.360 1.00 0.00 C ATOM 148 CG1 ILE A 14 3.921 4.310 -4.219 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.319 2.546 -5.002 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.166 4.765 -2.989 1.00 0.00 C ATOM 0 H ILE A 14 3.975 5.783 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 14 4.633 2.987 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 14 2.246 4.614 -5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.586 3.491 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.550 5.127 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.751 2.675 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.644 2.259 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.067 1.766 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.875 5.075 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.521 5.605 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.557 3.944 -2.611 1.00 0.00 H new ATOM 162 N ARG A 15 3.419 2.204 -8.531 1.00 0.00 N ATOM 163 CA ARG A 15 2.647 1.603 -9.612 1.00 0.00 C ATOM 164 C ARG A 15 1.975 0.314 -9.149 1.00 0.00 C ATOM 165 O ARG A 15 2.570 -0.482 -8.422 1.00 0.00 O ATOM 166 CB ARG A 15 3.550 1.316 -10.813 1.00 0.00 C ATOM 167 CG ARG A 15 2.869 0.515 -11.910 1.00 0.00 C ATOM 168 CD ARG A 15 3.760 0.377 -13.135 1.00 0.00 C ATOM 169 NE ARG A 15 3.840 1.620 -13.896 1.00 0.00 N ATOM 170 CZ ARG A 15 4.298 1.692 -15.141 1.00 0.00 C ATOM 171 NH1 ARG A 15 4.714 0.596 -15.762 1.00 0.00 N ATOM 172 NH2 ARG A 15 4.341 2.861 -15.768 1.00 0.00 N ATOM 0 H ARG A 15 4.366 1.837 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 15 1.872 2.310 -9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.899 2.261 -11.228 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.432 0.773 -10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.612 -0.475 -11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.935 1.002 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.761 0.078 -12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.375 -0.416 -13.776 1.00 0.00 H new ATOM 0 HE ARG A 15 3.527 2.481 -13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.683 -0.304 -15.284 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.065 0.654 -16.718 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.022 3.706 -15.294 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.693 2.914 -16.724 1.00 0.00 H new ATOM 186 N VAL A 16 0.731 0.115 -9.574 1.00 0.00 N ATOM 187 CA VAL A 16 -0.022 -1.077 -9.203 1.00 0.00 C ATOM 188 C VAL A 16 -0.368 -1.913 -10.430 1.00 0.00 C ATOM 189 O VAL A 16 -0.978 -1.419 -11.380 1.00 0.00 O ATOM 190 CB VAL A 16 -1.321 -0.712 -8.461 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.068 0.388 -9.201 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.200 -1.942 -8.290 1.00 0.00 C ATOM 0 H VAL A 16 0.224 0.764 -10.175 1.00 0.00 H new ATOM 0 HA VAL A 16 0.616 -1.660 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.061 -0.339 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.983 0.633 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.438 1.275 -9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.319 0.046 -10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.114 -1.666 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.454 -2.347 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.663 -2.696 -7.714 1.00 0.00 H new ATOM 202 N THR A 17 0.025 -3.182 -10.405 1.00 0.00 N ATOM 203 CA THR A 17 -0.242 -4.087 -11.516 1.00 0.00 C ATOM 204 C THR A 17 -1.144 -5.238 -11.083 1.00 0.00 C ATOM 205 O THR A 17 -1.386 -5.435 -9.892 1.00 0.00 O ATOM 206 CB THR A 17 1.063 -4.663 -12.098 1.00 0.00 C ATOM 207 OG1 THR A 17 0.785 -5.385 -13.303 1.00 0.00 O ATOM 208 CG2 THR A 17 1.742 -5.584 -11.095 1.00 0.00 C ATOM 0 H THR A 17 0.530 -3.607 -9.627 1.00 0.00 H new ATOM 0 HA THR A 17 -0.747 -3.503 -12.285 1.00 0.00 H new ATOM 0 HB THR A 17 1.734 -3.833 -12.319 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.620 -5.747 -13.668 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.661 -5.979 -11.528 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.978 -5.025 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.074 -6.409 -10.848 1.00 0.00 H new ATOM 216 N ARG A 18 -1.638 -5.995 -12.057 1.00 0.00 N ATOM 217 CA ARG A 18 -2.513 -7.126 -11.776 1.00 0.00 C ATOM 218 C ARG A 18 -3.802 -6.662 -11.103 1.00 0.00 C ATOM 219 O ARG A 18 -4.159 -7.139 -10.026 1.00 0.00 O ATOM 220 CB ARG A 18 -1.798 -8.143 -10.884 1.00 0.00 C ATOM 221 CG ARG A 18 -0.880 -9.083 -11.648 1.00 0.00 C ATOM 222 CD ARG A 18 -1.664 -10.190 -12.336 1.00 0.00 C ATOM 223 NE ARG A 18 -0.819 -11.333 -12.669 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.228 -12.359 -13.409 1.00 0.00 C ATOM 225 NH1 ARG A 18 -2.463 -12.382 -13.890 1.00 0.00 N ATOM 226 NH2 ARG A 18 -0.400 -13.362 -13.668 1.00 0.00 N ATOM 0 H ARG A 18 -1.447 -5.845 -13.048 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.768 -7.600 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.215 -7.609 -10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.543 -8.732 -10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.316 -8.519 -12.391 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.154 -9.521 -10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.476 -10.517 -11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.121 -9.800 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 18 0.137 -11.345 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.102 -11.612 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.775 -13.170 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.551 -13.346 -13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.714 -14.149 -14.236 1.00 0.00 H new ATOM 240 N SER A 19 -4.496 -5.729 -11.747 1.00 0.00 N ATOM 241 CA SER A 19 -5.743 -5.197 -11.209 1.00 0.00 C ATOM 242 C SER A 19 -6.852 -6.243 -11.271 1.00 0.00 C ATOM 243 O SER A 19 -7.552 -6.363 -12.276 1.00 0.00 O ATOM 244 CB SER A 19 -6.164 -3.945 -11.982 1.00 0.00 C ATOM 245 OG SER A 19 -6.351 -4.234 -13.357 1.00 0.00 O ATOM 0 H SER A 19 -4.216 -5.326 -12.641 1.00 0.00 H new ATOM 0 HA SER A 19 -5.575 -4.932 -10.165 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.088 -3.548 -11.562 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.404 -3.172 -11.870 1.00 0.00 H new ATOM 0 HG SER A 19 -6.821 -5.089 -13.451 1.00 0.00 H new ATOM 251 N SER A 20 -7.005 -6.998 -10.188 1.00 0.00 N ATOM 252 CA SER A 20 -8.025 -8.038 -10.119 1.00 0.00 C ATOM 253 C SER A 20 -9.014 -7.755 -8.992 1.00 0.00 C ATOM 254 O SER A 20 -8.697 -7.089 -8.006 1.00 0.00 O ATOM 255 CB SER A 20 -7.375 -9.407 -9.910 1.00 0.00 C ATOM 256 OG SER A 20 -6.133 -9.490 -10.586 1.00 0.00 O ATOM 0 H SER A 20 -6.436 -6.909 -9.346 1.00 0.00 H new ATOM 0 HA SER A 20 -8.568 -8.042 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.225 -9.583 -8.845 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.043 -10.189 -10.272 1.00 0.00 H new ATOM 0 HG SER A 20 -5.737 -10.374 -10.435 1.00 0.00 H new ATOM 262 N PRO A 21 -10.243 -8.271 -9.141 1.00 0.00 N ATOM 263 CA PRO A 21 -11.304 -8.088 -8.146 1.00 0.00 C ATOM 264 C PRO A 21 -11.030 -8.857 -6.858 1.00 0.00 C ATOM 265 O PRO A 21 -10.796 -10.065 -6.882 1.00 0.00 O ATOM 266 CB PRO A 21 -12.546 -8.644 -8.846 1.00 0.00 C ATOM 267 CG PRO A 21 -12.016 -9.621 -9.838 1.00 0.00 C ATOM 268 CD PRO A 21 -10.690 -9.075 -10.291 1.00 0.00 C ATOM 0 HA PRO A 21 -11.400 -7.046 -7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.218 -9.126 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.113 -7.852 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.899 -10.608 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.700 -9.732 -10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.984 -9.873 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.791 -8.468 -11.191 1.00 0.00 H new ATOM 276 N SER A 22 -11.061 -8.148 -5.734 1.00 0.00 N ATOM 277 CA SER A 22 -10.812 -8.764 -4.435 1.00 0.00 C ATOM 278 C SER A 22 -9.328 -9.067 -4.253 1.00 0.00 C ATOM 279 O SER A 22 -8.956 -9.976 -3.510 1.00 0.00 O ATOM 280 CB SER A 22 -11.629 -10.049 -4.292 1.00 0.00 C ATOM 281 OG SER A 22 -11.721 -10.447 -2.935 1.00 0.00 O ATOM 0 H SER A 22 -11.256 -7.147 -5.696 1.00 0.00 H new ATOM 0 HA SER A 22 -11.118 -8.060 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.629 -9.895 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.167 -10.844 -4.877 1.00 0.00 H new ATOM 0 HG SER A 22 -10.824 -10.478 -2.542 1.00 0.00 H new ATOM 287 N SER A 23 -8.486 -8.300 -4.936 1.00 0.00 N ATOM 288 CA SER A 23 -7.042 -8.488 -4.854 1.00 0.00 C ATOM 289 C SER A 23 -6.307 -7.396 -5.625 1.00 0.00 C ATOM 290 O SER A 23 -6.640 -7.099 -6.774 1.00 0.00 O ATOM 291 CB SER A 23 -6.653 -9.863 -5.400 1.00 0.00 C ATOM 292 OG SER A 23 -7.347 -10.150 -6.602 1.00 0.00 O ATOM 0 H SER A 23 -8.778 -7.542 -5.553 1.00 0.00 H new ATOM 0 HA SER A 23 -6.752 -8.426 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.579 -9.895 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.875 -10.629 -4.657 1.00 0.00 H new ATOM 0 HG SER A 23 -7.079 -11.033 -6.931 1.00 0.00 H new ATOM 298 N LEU A 24 -5.305 -6.801 -4.987 1.00 0.00 N ATOM 299 CA LEU A 24 -4.521 -5.741 -5.611 1.00 0.00 C ATOM 300 C LEU A 24 -3.036 -5.916 -5.314 1.00 0.00 C ATOM 301 O LEU A 24 -2.629 -5.988 -4.155 1.00 0.00 O ATOM 302 CB LEU A 24 -4.995 -4.372 -5.120 1.00 0.00 C ATOM 303 CG LEU A 24 -6.420 -3.977 -5.505 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.979 -2.964 -4.517 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.455 -3.419 -6.920 1.00 0.00 C ATOM 0 H LEU A 24 -5.016 -7.035 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.666 -5.802 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.915 -4.350 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.313 -3.614 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.045 -4.869 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.994 -2.695 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.991 -3.399 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.353 -2.072 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.478 -3.143 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.816 -2.538 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.097 -4.175 -7.618 1.00 0.00 H new ATOM 317 N SER A 25 -2.230 -5.980 -6.369 1.00 0.00 N ATOM 318 CA SER A 25 -0.789 -6.147 -6.221 1.00 0.00 C ATOM 319 C SER A 25 -0.070 -4.807 -6.350 1.00 0.00 C ATOM 320 O SER A 25 -0.036 -4.209 -7.427 1.00 0.00 O ATOM 321 CB SER A 25 -0.257 -7.126 -7.269 1.00 0.00 C ATOM 322 OG SER A 25 -0.927 -8.373 -7.188 1.00 0.00 O ATOM 0 H SER A 25 -2.550 -5.919 -7.335 1.00 0.00 H new ATOM 0 HA SER A 25 -0.596 -6.549 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.387 -6.704 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.813 -7.274 -7.123 1.00 0.00 H new ATOM 0 HG SER A 25 -0.570 -8.981 -7.869 1.00 0.00 H new ATOM 328 N LEU A 26 0.502 -4.341 -5.246 1.00 0.00 N ATOM 329 CA LEU A 26 1.220 -3.071 -5.233 1.00 0.00 C ATOM 330 C LEU A 26 2.722 -3.294 -5.382 1.00 0.00 C ATOM 331 O LEU A 26 3.264 -4.286 -4.893 1.00 0.00 O ATOM 332 CB LEU A 26 0.931 -2.312 -3.937 1.00 0.00 C ATOM 333 CG LEU A 26 -0.532 -1.948 -3.685 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.819 -1.897 -2.192 1.00 0.00 C ATOM 335 CD2 LEU A 26 -0.872 -0.618 -4.341 1.00 0.00 C ATOM 0 H LEU A 26 0.483 -4.823 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 26 0.874 -2.477 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.284 -2.915 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.518 -1.394 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.160 -2.720 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.865 -1.636 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.616 -2.872 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.182 -1.146 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.918 -0.375 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.237 0.165 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.706 -0.689 -5.416 1.00 0.00 H new ATOM 347 N ALA A 27 3.389 -2.364 -6.057 1.00 0.00 N ATOM 348 CA ALA A 27 4.829 -2.456 -6.265 1.00 0.00 C ATOM 349 C ALA A 27 5.441 -1.078 -6.487 1.00 0.00 C ATOM 350 O ALA A 27 4.991 -0.319 -7.347 1.00 0.00 O ATOM 351 CB ALA A 27 5.134 -3.368 -7.445 1.00 0.00 C ATOM 0 H ALA A 27 2.955 -1.538 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 27 5.275 -2.881 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.213 -3.428 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.739 -4.364 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.669 -2.966 -8.345 1.00 0.00 H new ATOM 357 N TRP A 28 6.468 -0.759 -5.708 1.00 0.00 N ATOM 358 CA TRP A 28 7.141 0.530 -5.820 1.00 0.00 C ATOM 359 C TRP A 28 8.562 0.358 -6.346 1.00 0.00 C ATOM 360 O TRP A 28 9.074 -0.759 -6.425 1.00 0.00 O ATOM 361 CB TRP A 28 7.169 1.234 -4.462 1.00 0.00 C ATOM 362 CG TRP A 28 7.200 0.285 -3.302 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.194 0.157 -2.375 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.193 -0.669 -2.948 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.866 -0.819 -1.465 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.643 -1.340 -1.794 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.954 -1.020 -3.491 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.897 -2.341 -1.177 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.216 -2.014 -2.878 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.688 -2.665 -1.731 1.00 0.00 C ATOM 0 H TRP A 28 6.853 -1.375 -4.992 1.00 0.00 H new ATOM 0 HA TRP A 28 6.583 1.143 -6.528 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.044 1.883 -4.415 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.292 1.875 -4.375 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.105 0.738 -2.359 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.440 -1.108 -0.673 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.580 -0.523 -4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.260 -2.844 -0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.258 -2.294 -3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.086 -3.437 -1.275 1.00 0.00 H new ATOM 381 N ALA A 29 9.195 1.471 -6.704 1.00 0.00 N ATOM 382 CA ALA A 29 10.558 1.442 -7.220 1.00 0.00 C ATOM 383 C ALA A 29 11.573 1.646 -6.100 1.00 0.00 C ATOM 384 O ALA A 29 11.569 2.675 -5.425 1.00 0.00 O ATOM 385 CB ALA A 29 10.737 2.502 -8.296 1.00 0.00 C ATOM 0 H ALA A 29 8.786 2.403 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 29 10.733 0.460 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.759 2.469 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.043 2.311 -9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.537 3.487 -7.873 1.00 0.00 H new ATOM 391 N VAL A 30 12.442 0.658 -5.908 1.00 0.00 N ATOM 392 CA VAL A 30 13.463 0.729 -4.870 1.00 0.00 C ATOM 393 C VAL A 30 13.946 2.161 -4.671 1.00 0.00 C ATOM 394 O VAL A 30 14.812 2.657 -5.393 1.00 0.00 O ATOM 395 CB VAL A 30 14.670 -0.166 -5.209 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.711 -0.100 -4.102 1.00 0.00 C ATOM 397 CG2 VAL A 30 14.221 -1.599 -5.446 1.00 0.00 C ATOM 0 H VAL A 30 12.459 -0.201 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 30 13.003 0.373 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 30 15.127 0.203 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.556 -0.738 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 30 16.055 0.928 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.269 -0.442 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.087 -2.217 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.738 -1.982 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.516 -1.627 -6.277 1.00 0.00 H new ATOM 407 N PRO A 31 13.374 2.845 -3.669 1.00 0.00 N ATOM 408 CA PRO A 31 13.731 4.230 -3.350 1.00 0.00 C ATOM 409 C PRO A 31 15.132 4.347 -2.761 1.00 0.00 C ATOM 410 O PRO A 31 15.573 3.479 -2.007 1.00 0.00 O ATOM 411 CB PRO A 31 12.679 4.638 -2.315 1.00 0.00 C ATOM 412 CG PRO A 31 12.249 3.358 -1.687 1.00 0.00 C ATOM 413 CD PRO A 31 12.335 2.317 -2.769 1.00 0.00 C ATOM 0 HA PRO A 31 13.743 4.862 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.096 5.321 -1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.839 5.150 -2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.892 3.101 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.233 3.435 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.609 1.342 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.382 2.193 -3.284 1.00 0.00 H new ATOM 421 N ARG A 32 15.828 5.425 -3.109 1.00 0.00 N ATOM 422 CA ARG A 32 17.180 5.654 -2.615 1.00 0.00 C ATOM 423 C ARG A 32 17.153 6.174 -1.181 1.00 0.00 C ATOM 424 O ARG A 32 16.418 7.108 -0.862 1.00 0.00 O ATOM 425 CB ARG A 32 17.914 6.648 -3.516 1.00 0.00 C ATOM 426 CG ARG A 32 18.100 6.156 -4.942 1.00 0.00 C ATOM 427 CD ARG A 32 19.259 6.861 -5.628 1.00 0.00 C ATOM 428 NE ARG A 32 18.973 8.271 -5.876 1.00 0.00 N ATOM 429 CZ ARG A 32 19.911 9.180 -6.119 1.00 0.00 C ATOM 430 NH1 ARG A 32 21.188 8.827 -6.148 1.00 0.00 N ATOM 431 NH2 ARG A 32 19.571 10.444 -6.335 1.00 0.00 N ATOM 0 H ARG A 32 15.477 6.153 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 32 17.711 4.702 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.360 7.587 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.892 6.863 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.279 5.081 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.184 6.324 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 32 20.152 6.776 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 32 19.477 6.364 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 32 17.999 8.575 -5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 32 21.452 7.856 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 32 21.906 9.527 -6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.589 10.719 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.292 11.141 -6.521 1.00 0.00 H new ATOM 445 N ALA A 33 17.960 5.563 -0.320 1.00 0.00 N ATOM 446 CA ALA A 33 18.030 5.965 1.080 1.00 0.00 C ATOM 447 C ALA A 33 19.377 6.606 1.400 1.00 0.00 C ATOM 448 O ALA A 33 20.419 6.212 0.877 1.00 0.00 O ATOM 449 CB ALA A 33 17.784 4.768 1.986 1.00 0.00 C ATOM 0 H ALA A 33 18.575 4.788 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 33 17.252 6.707 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.839 5.083 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.796 4.355 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.541 4.007 1.796 1.00 0.00 H new ATOM 455 N PRO A 34 19.357 7.619 2.279 1.00 0.00 N ATOM 456 CA PRO A 34 20.568 8.336 2.688 1.00 0.00 C ATOM 457 C PRO A 34 21.487 7.476 3.550 1.00 0.00 C ATOM 458 O PRO A 34 22.554 7.922 3.972 1.00 0.00 O ATOM 459 CB PRO A 34 20.025 9.516 3.498 1.00 0.00 C ATOM 460 CG PRO A 34 18.703 9.053 4.003 1.00 0.00 C ATOM 461 CD PRO A 34 18.150 8.142 2.942 1.00 0.00 C ATOM 0 HA PRO A 34 21.175 8.632 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.694 9.774 4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.922 10.407 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.810 8.527 4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.036 9.896 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.549 7.341 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.509 8.681 2.244 1.00 0.00 H new ATOM 469 N SER A 35 21.066 6.242 3.806 1.00 0.00 N ATOM 470 CA SER A 35 21.851 5.321 4.621 1.00 0.00 C ATOM 471 C SER A 35 21.554 3.873 4.242 1.00 0.00 C ATOM 472 O SER A 35 20.403 3.502 4.015 1.00 0.00 O ATOM 473 CB SER A 35 21.556 5.542 6.106 1.00 0.00 C ATOM 474 OG SER A 35 22.168 4.542 6.902 1.00 0.00 O ATOM 0 H SER A 35 20.187 5.857 3.462 1.00 0.00 H new ATOM 0 HA SER A 35 22.907 5.519 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 35 21.918 6.525 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.479 5.534 6.271 1.00 0.00 H new ATOM 0 HG SER A 35 21.966 4.707 7.847 1.00 0.00 H new ATOM 480 N GLY A 36 22.603 3.059 4.174 1.00 0.00 N ATOM 481 CA GLY A 36 22.436 1.661 3.822 1.00 0.00 C ATOM 482 C GLY A 36 21.322 1.446 2.818 1.00 0.00 C ATOM 483 O GLY A 36 21.136 2.250 1.905 1.00 0.00 O ATOM 0 H GLY A 36 23.566 3.343 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.370 1.279 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.225 1.085 4.723 1.00 0.00 H new ATOM 487 N ALA A 37 20.579 0.356 2.984 1.00 0.00 N ATOM 488 CA ALA A 37 19.478 0.037 2.084 1.00 0.00 C ATOM 489 C ALA A 37 18.137 0.129 2.805 1.00 0.00 C ATOM 490 O ALA A 37 18.071 0.036 4.031 1.00 0.00 O ATOM 491 CB ALA A 37 19.666 -1.350 1.490 1.00 0.00 C ATOM 0 H ALA A 37 20.720 -0.321 3.734 1.00 0.00 H new ATOM 0 HA ALA A 37 19.478 0.768 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.836 -1.574 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.602 -1.383 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.695 -2.088 2.291 1.00 0.00 H new ATOM 497 N VAL A 38 17.068 0.312 2.035 1.00 0.00 N ATOM 498 CA VAL A 38 15.728 0.415 2.601 1.00 0.00 C ATOM 499 C VAL A 38 15.266 -0.922 3.167 1.00 0.00 C ATOM 500 O VAL A 38 15.268 -1.938 2.470 1.00 0.00 O ATOM 501 CB VAL A 38 14.711 0.894 1.548 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.336 1.070 2.175 1.00 0.00 C ATOM 503 CG2 VAL A 38 15.181 2.188 0.903 1.00 0.00 C ATOM 0 H VAL A 38 17.104 0.392 1.019 1.00 0.00 H new ATOM 0 HA VAL A 38 15.779 1.148 3.406 1.00 0.00 H new ATOM 0 HB VAL A 38 14.635 0.134 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.631 1.409 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.998 0.118 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.392 1.809 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.450 2.511 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.288 2.958 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.143 2.024 0.417 1.00 0.00 H new ATOM 513 N LEU A 39 14.869 -0.916 4.435 1.00 0.00 N ATOM 514 CA LEU A 39 14.403 -2.130 5.097 1.00 0.00 C ATOM 515 C LEU A 39 12.963 -2.445 4.704 1.00 0.00 C ATOM 516 O LEU A 39 12.377 -1.767 3.860 1.00 0.00 O ATOM 517 CB LEU A 39 14.508 -1.979 6.615 1.00 0.00 C ATOM 518 CG LEU A 39 15.891 -1.624 7.161 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.775 -0.974 8.531 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.771 -2.863 7.229 1.00 0.00 C ATOM 0 H LEU A 39 14.860 -0.084 5.025 1.00 0.00 H new ATOM 0 HA LEU A 39 15.037 -2.956 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.806 -1.208 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.186 -2.913 7.076 1.00 0.00 H new ATOM 0 HG LEU A 39 16.356 -0.909 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.770 -0.729 8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.182 -0.063 8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.290 -1.664 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.752 -2.592 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 39 16.310 -3.601 7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.883 -3.285 6.230 1.00 0.00 H new ATOM 532 N ASP A 40 12.399 -3.476 5.322 1.00 0.00 N ATOM 533 CA ASP A 40 11.027 -3.880 5.040 1.00 0.00 C ATOM 534 C ASP A 40 10.113 -2.663 4.935 1.00 0.00 C ATOM 535 O ASP A 40 10.434 -1.587 5.441 1.00 0.00 O ATOM 536 CB ASP A 40 10.515 -4.824 6.129 1.00 0.00 C ATOM 537 CG ASP A 40 11.593 -5.766 6.631 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.482 -6.128 5.834 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.545 -6.141 7.822 1.00 0.00 O ATOM 0 H ASP A 40 12.871 -4.048 6.022 1.00 0.00 H new ATOM 0 HA ASP A 40 11.019 -4.403 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.131 -4.237 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.680 -5.406 5.738 1.00 0.00 H new ATOM 544 N TYR A 41 8.974 -2.840 4.274 1.00 0.00 N ATOM 545 CA TYR A 41 8.015 -1.755 4.100 1.00 0.00 C ATOM 546 C TYR A 41 6.719 -2.048 4.849 1.00 0.00 C ATOM 547 O TYR A 41 6.504 -3.161 5.327 1.00 0.00 O ATOM 548 CB TYR A 41 7.721 -1.541 2.614 1.00 0.00 C ATOM 549 CG TYR A 41 8.961 -1.315 1.778 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.902 -2.324 1.611 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.191 -0.094 1.156 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.036 -2.122 0.848 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.322 0.116 0.391 1.00 0.00 C ATOM 554 CZ TYR A 41 11.241 -0.901 0.240 1.00 0.00 C ATOM 555 OH TYR A 41 12.370 -0.696 -0.521 1.00 0.00 O ATOM 0 H TYR A 41 8.692 -3.724 3.850 1.00 0.00 H new ATOM 0 HA TYR A 41 8.454 -0.846 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.187 -2.410 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.057 -0.684 2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.744 -3.281 2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.473 0.705 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.758 -2.916 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.485 1.071 -0.086 1.00 0.00 H new ATOM 0 HH TYR A 41 12.120 -0.632 -1.466 1.00 0.00 H new ATOM 565 N GLU A 42 5.858 -1.039 4.946 1.00 0.00 N ATOM 566 CA GLU A 42 4.583 -1.188 5.637 1.00 0.00 C ATOM 567 C GLU A 42 3.428 -0.724 4.754 1.00 0.00 C ATOM 568 O GLU A 42 3.421 0.407 4.266 1.00 0.00 O ATOM 569 CB GLU A 42 4.591 -0.394 6.945 1.00 0.00 C ATOM 570 CG GLU A 42 3.643 -0.945 7.997 1.00 0.00 C ATOM 571 CD GLU A 42 3.938 -0.410 9.385 1.00 0.00 C ATOM 572 OE1 GLU A 42 5.128 -0.346 9.757 1.00 0.00 O ATOM 573 OE2 GLU A 42 2.977 -0.055 10.100 1.00 0.00 O ATOM 0 H GLU A 42 6.021 -0.111 4.555 1.00 0.00 H new ATOM 0 HA GLU A 42 4.442 -2.245 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.603 -0.386 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.324 0.641 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.618 -0.693 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.712 -2.033 8.009 1.00 0.00 H new ATOM 580 N VAL A 43 2.454 -1.605 4.553 1.00 0.00 N ATOM 581 CA VAL A 43 1.294 -1.286 3.729 1.00 0.00 C ATOM 582 C VAL A 43 0.094 -0.909 4.592 1.00 0.00 C ATOM 583 O VAL A 43 -0.183 -1.552 5.605 1.00 0.00 O ATOM 584 CB VAL A 43 0.908 -2.469 2.822 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.329 -2.133 2.002 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.070 -2.847 1.916 1.00 0.00 C ATOM 0 H VAL A 43 2.445 -2.545 4.949 1.00 0.00 H new ATOM 0 HA VAL A 43 1.572 -0.436 3.106 1.00 0.00 H new ATOM 0 HB VAL A 43 0.675 -3.326 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.586 -2.981 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.161 -1.915 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.127 -1.262 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.779 -3.685 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.337 -1.994 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.928 -3.133 2.525 1.00 0.00 H new ATOM 596 N LYS A 44 -0.616 0.137 4.184 1.00 0.00 N ATOM 597 CA LYS A 44 -1.788 0.600 4.917 1.00 0.00 C ATOM 598 C LYS A 44 -2.915 0.974 3.961 1.00 0.00 C ATOM 599 O LYS A 44 -2.807 1.941 3.206 1.00 0.00 O ATOM 600 CB LYS A 44 -1.425 1.804 5.790 1.00 0.00 C ATOM 601 CG LYS A 44 -2.620 2.431 6.487 1.00 0.00 C ATOM 602 CD LYS A 44 -2.210 3.626 7.330 1.00 0.00 C ATOM 603 CE LYS A 44 -3.283 3.987 8.346 1.00 0.00 C ATOM 604 NZ LYS A 44 -4.421 4.712 7.717 1.00 0.00 N ATOM 0 H LYS A 44 -0.400 0.681 3.349 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.132 -0.214 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.699 1.492 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.939 2.558 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.353 2.744 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.105 1.687 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.277 3.404 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.019 4.481 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.651 3.079 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.847 4.606 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.131 4.940 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.075 5.591 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.854 4.112 6.986 1.00 0.00 H new ATOM 618 N TYR A 45 -3.997 0.203 3.999 1.00 0.00 N ATOM 619 CA TYR A 45 -5.144 0.453 3.134 1.00 0.00 C ATOM 620 C TYR A 45 -6.429 0.555 3.950 1.00 0.00 C ATOM 621 O TYR A 45 -6.608 -0.156 4.940 1.00 0.00 O ATOM 622 CB TYR A 45 -5.275 -0.658 2.092 1.00 0.00 C ATOM 623 CG TYR A 45 -5.261 -2.049 2.684 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.069 -2.650 3.067 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.441 -2.762 2.861 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.051 -3.921 3.608 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.433 -4.033 3.403 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.236 -4.608 3.774 1.00 0.00 C ATOM 629 OH TYR A 45 -5.223 -5.874 4.314 1.00 0.00 O ATOM 0 H TYR A 45 -4.103 -0.600 4.619 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.982 1.403 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.203 -0.517 1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.459 -0.570 1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.140 -2.114 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.380 -2.315 2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.115 -4.374 3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.359 -4.573 3.535 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.139 -6.218 4.364 1.00 0.00 H new ATOM 639 N HIS A 46 -7.323 1.443 3.528 1.00 0.00 N ATOM 640 CA HIS A 46 -8.593 1.638 4.218 1.00 0.00 C ATOM 641 C HIS A 46 -9.616 2.296 3.297 1.00 0.00 C ATOM 642 O HIS A 46 -9.300 3.247 2.582 1.00 0.00 O ATOM 643 CB HIS A 46 -8.392 2.493 5.469 1.00 0.00 C ATOM 644 CG HIS A 46 -8.407 3.966 5.197 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.579 4.570 4.275 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.158 4.957 5.732 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.819 5.869 4.255 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.774 6.130 5.130 1.00 0.00 N ATOM 0 H HIS A 46 -7.191 2.039 2.711 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.972 0.659 4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.175 2.257 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.442 2.227 5.932 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.918 4.846 6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.320 6.594 3.630 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.163 7.052 5.326 1.00 0.00 H new ATOM 657 N GLU A 47 -10.842 1.783 3.319 1.00 0.00 N ATOM 658 CA GLU A 47 -11.910 2.320 2.484 1.00 0.00 C ATOM 659 C GLU A 47 -12.105 3.811 2.744 1.00 0.00 C ATOM 660 O GLU A 47 -11.874 4.296 3.852 1.00 0.00 O ATOM 661 CB GLU A 47 -13.218 1.570 2.745 1.00 0.00 C ATOM 662 CG GLU A 47 -14.265 1.779 1.664 1.00 0.00 C ATOM 663 CD GLU A 47 -15.495 0.916 1.869 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.417 -0.301 1.602 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.535 1.459 2.297 1.00 0.00 O ATOM 0 H GLU A 47 -11.120 0.996 3.906 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.624 2.185 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.005 0.505 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.627 1.892 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.560 2.828 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.827 1.556 0.691 1.00 0.00 H new ATOM 672 N LYS A 48 -12.532 4.534 1.714 1.00 0.00 N ATOM 673 CA LYS A 48 -12.760 5.970 1.829 1.00 0.00 C ATOM 674 C LYS A 48 -13.692 6.281 2.996 1.00 0.00 C ATOM 675 O LYS A 48 -13.288 6.909 3.975 1.00 0.00 O ATOM 676 CB LYS A 48 -13.353 6.518 0.529 1.00 0.00 C ATOM 677 CG LYS A 48 -13.237 8.027 0.397 1.00 0.00 C ATOM 678 CD LYS A 48 -11.885 8.435 -0.164 1.00 0.00 C ATOM 679 CE LYS A 48 -11.686 9.941 -0.098 1.00 0.00 C ATOM 680 NZ LYS A 48 -11.407 10.403 1.290 1.00 0.00 N ATOM 0 H LYS A 48 -12.727 4.149 0.790 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.800 6.452 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.851 6.048 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.404 6.236 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.029 8.398 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.382 8.491 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.093 7.937 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.803 8.101 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.860 10.227 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.577 10.442 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.988 11.239 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.637 9.643 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.401 10.650 1.378 1.00 0.00 H new ATOM 769 N VAL A 56 -9.240 -0.195 9.269 1.00 0.00 N ATOM 770 CA VAL A 56 -8.016 -0.164 8.476 1.00 0.00 C ATOM 771 C VAL A 56 -7.119 -1.352 8.804 1.00 0.00 C ATOM 772 O VAL A 56 -6.945 -1.709 9.970 1.00 0.00 O ATOM 773 CB VAL A 56 -7.230 1.139 8.709 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.904 1.310 10.185 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.961 1.153 7.870 1.00 0.00 C ATOM 0 HA VAL A 56 -8.315 -0.217 7.429 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.853 1.978 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.348 2.236 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.829 1.348 10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.300 0.468 10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.418 2.081 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.333 0.306 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.222 1.081 6.814 1.00 0.00 H new ATOM 785 N ARG A 57 -6.550 -1.961 7.769 1.00 0.00 N ATOM 786 CA ARG A 57 -5.671 -3.110 7.946 1.00 0.00 C ATOM 787 C ARG A 57 -4.246 -2.775 7.516 1.00 0.00 C ATOM 788 O ARG A 57 -4.019 -1.823 6.770 1.00 0.00 O ATOM 789 CB ARG A 57 -6.189 -4.305 7.145 1.00 0.00 C ATOM 790 CG ARG A 57 -7.347 -5.030 7.812 1.00 0.00 C ATOM 791 CD ARG A 57 -7.435 -6.478 7.355 1.00 0.00 C ATOM 792 NE ARG A 57 -8.766 -7.039 7.571 1.00 0.00 N ATOM 793 CZ ARG A 57 -9.037 -8.338 7.496 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.073 -9.204 7.213 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.273 -8.772 7.706 1.00 0.00 N ATOM 0 H ARG A 57 -6.682 -1.677 6.798 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.662 -3.369 9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.505 -3.962 6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.372 -5.009 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.224 -4.996 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.281 -4.517 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.183 -6.540 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.698 -7.074 7.894 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.529 -6.399 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.121 -8.873 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.283 -10.200 7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.016 -8.109 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.480 -9.769 7.648 1.00 0.00 H new ATOM 809 N PHE A 58 -3.288 -3.564 7.992 1.00 0.00 N ATOM 810 CA PHE A 58 -1.885 -3.351 7.658 1.00 0.00 C ATOM 811 C PHE A 58 -1.253 -4.632 7.121 1.00 0.00 C ATOM 812 O PHE A 58 -1.729 -5.735 7.394 1.00 0.00 O ATOM 813 CB PHE A 58 -1.114 -2.866 8.888 1.00 0.00 C ATOM 814 CG PHE A 58 -1.211 -1.384 9.110 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.443 -0.777 9.294 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.071 -0.598 9.136 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.535 0.587 9.497 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.156 0.767 9.340 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.390 1.360 9.522 1.00 0.00 C ATOM 0 H PHE A 58 -3.458 -4.357 8.611 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.834 -2.588 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.491 -3.383 9.770 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.065 -3.141 8.781 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.341 -1.376 9.279 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.896 -1.057 8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.501 1.048 9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.741 1.368 9.357 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.460 2.426 9.684 1.00 0.00 H new ATOM 829 N LEU A 59 -0.179 -4.478 6.354 1.00 0.00 N ATOM 830 CA LEU A 59 0.519 -5.621 5.776 1.00 0.00 C ATOM 831 C LEU A 59 2.012 -5.337 5.644 1.00 0.00 C ATOM 832 O LEU A 59 2.422 -4.436 4.912 1.00 0.00 O ATOM 833 CB LEU A 59 -0.070 -5.964 4.406 1.00 0.00 C ATOM 834 CG LEU A 59 0.796 -6.846 3.506 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.581 -8.316 3.833 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.491 -6.574 2.040 1.00 0.00 C ATOM 0 H LEU A 59 0.227 -3.573 6.118 1.00 0.00 H new ATOM 0 HA LEU A 59 0.387 -6.472 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.027 -6.463 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.277 -5.033 3.878 1.00 0.00 H new ATOM 0 HG LEU A 59 1.843 -6.603 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.205 -8.929 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.850 -8.500 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.467 -8.574 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.116 -7.210 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.559 -6.789 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.697 -5.528 1.814 1.00 0.00 H new ATOM 848 N LYS A 60 2.821 -6.114 6.357 1.00 0.00 N ATOM 849 CA LYS A 60 4.270 -5.950 6.318 1.00 0.00 C ATOM 850 C LYS A 60 4.893 -6.870 5.273 1.00 0.00 C ATOM 851 O LYS A 60 4.473 -8.015 5.109 1.00 0.00 O ATOM 852 CB LYS A 60 4.873 -6.240 7.694 1.00 0.00 C ATOM 853 CG LYS A 60 4.922 -5.025 8.605 1.00 0.00 C ATOM 854 CD LYS A 60 3.643 -4.882 9.412 1.00 0.00 C ATOM 855 CE LYS A 60 3.703 -5.690 10.700 1.00 0.00 C ATOM 856 NZ LYS A 60 3.324 -7.114 10.480 1.00 0.00 N ATOM 0 H LYS A 60 2.498 -6.863 6.969 1.00 0.00 H new ATOM 0 HA LYS A 60 4.488 -4.918 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.291 -7.024 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.884 -6.627 7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.773 -5.110 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.079 -4.127 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.476 -3.831 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.795 -5.213 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.711 -5.642 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.035 -5.246 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.874 -7.490 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.657 -7.177 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.175 -7.670 10.263 1.00 0.00 H new ATOM 870 N THR A 61 5.900 -6.362 4.570 1.00 0.00 N ATOM 871 CA THR A 61 6.582 -7.138 3.541 1.00 0.00 C ATOM 872 C THR A 61 8.049 -6.737 3.433 1.00 0.00 C ATOM 873 O THR A 61 8.383 -5.553 3.458 1.00 0.00 O ATOM 874 CB THR A 61 5.911 -6.961 2.166 1.00 0.00 C ATOM 875 OG1 THR A 61 6.756 -7.486 1.137 1.00 0.00 O ATOM 876 CG2 THR A 61 5.620 -5.494 1.891 1.00 0.00 C ATOM 0 H THR A 61 6.262 -5.416 4.694 1.00 0.00 H new ATOM 0 HA THR A 61 6.514 -8.185 3.838 1.00 0.00 H new ATOM 0 HB THR A 61 4.968 -7.507 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.321 -7.371 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.146 -5.394 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.952 -5.105 2.660 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.553 -4.930 1.901 1.00 0.00 H new ATOM 884 N SER A 62 8.922 -7.732 3.312 1.00 0.00 N ATOM 885 CA SER A 62 10.355 -7.484 3.202 1.00 0.00 C ATOM 886 C SER A 62 10.757 -7.253 1.749 1.00 0.00 C ATOM 887 O SER A 62 11.846 -7.640 1.327 1.00 0.00 O ATOM 888 CB SER A 62 11.144 -8.660 3.781 1.00 0.00 C ATOM 889 OG SER A 62 10.967 -9.827 2.997 1.00 0.00 O ATOM 0 H SER A 62 8.662 -8.718 3.288 1.00 0.00 H new ATOM 0 HA SER A 62 10.587 -6.584 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.203 -8.405 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.819 -8.852 4.804 1.00 0.00 H new ATOM 0 HG SER A 62 11.482 -10.564 3.386 1.00 0.00 H new ATOM 895 N GLU A 63 9.868 -6.620 0.989 1.00 0.00 N ATOM 896 CA GLU A 63 10.130 -6.339 -0.418 1.00 0.00 C ATOM 897 C GLU A 63 9.403 -5.074 -0.864 1.00 0.00 C ATOM 898 O GLU A 63 8.706 -4.435 -0.077 1.00 0.00 O ATOM 899 CB GLU A 63 9.697 -7.522 -1.287 1.00 0.00 C ATOM 900 CG GLU A 63 10.339 -8.839 -0.884 1.00 0.00 C ATOM 901 CD GLU A 63 11.835 -8.858 -1.127 1.00 0.00 C ATOM 902 OE1 GLU A 63 12.294 -8.164 -2.058 1.00 0.00 O ATOM 903 OE2 GLU A 63 12.547 -9.566 -0.385 1.00 0.00 O ATOM 0 H GLU A 63 8.962 -6.293 1.323 1.00 0.00 H new ATOM 0 HA GLU A 63 11.202 -6.183 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.613 -7.624 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.946 -7.309 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.144 -9.026 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.874 -9.651 -1.442 1.00 0.00 H new ATOM 910 N ASN A 64 9.572 -4.717 -2.133 1.00 0.00 N ATOM 911 CA ASN A 64 8.933 -3.528 -2.685 1.00 0.00 C ATOM 912 C ASN A 64 7.681 -3.899 -3.473 1.00 0.00 C ATOM 913 O ASN A 64 7.292 -3.197 -4.406 1.00 0.00 O ATOM 914 CB ASN A 64 9.911 -2.770 -3.586 1.00 0.00 C ATOM 915 CG ASN A 64 10.045 -3.406 -4.956 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.657 -4.556 -5.160 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.597 -2.658 -5.904 1.00 0.00 N ATOM 0 H ASN A 64 10.146 -5.234 -2.799 1.00 0.00 H new ATOM 0 HA ASN A 64 8.640 -2.885 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.574 -1.740 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.890 -2.735 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.713 -3.032 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.905 -1.709 -5.691 1.00 0.00 H new ATOM 924 N ARG A 65 7.054 -5.006 -3.090 1.00 0.00 N ATOM 925 CA ARG A 65 5.845 -5.471 -3.760 1.00 0.00 C ATOM 926 C ARG A 65 5.005 -6.338 -2.827 1.00 0.00 C ATOM 927 O ARG A 65 5.534 -7.183 -2.105 1.00 0.00 O ATOM 928 CB ARG A 65 6.207 -6.260 -5.020 1.00 0.00 C ATOM 929 CG ARG A 65 7.110 -7.453 -4.753 1.00 0.00 C ATOM 930 CD ARG A 65 7.128 -8.413 -5.932 1.00 0.00 C ATOM 931 NE ARG A 65 7.949 -7.915 -7.032 1.00 0.00 N ATOM 932 CZ ARG A 65 8.089 -8.550 -8.190 1.00 0.00 C ATOM 933 NH1 ARG A 65 7.465 -9.701 -8.399 1.00 0.00 N ATOM 934 NH2 ARG A 65 8.853 -8.032 -9.144 1.00 0.00 N ATOM 0 H ARG A 65 7.363 -5.598 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 65 5.257 -4.598 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.290 -6.608 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.700 -5.593 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.123 -7.106 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.768 -7.977 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.508 -9.381 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.109 -8.573 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 65 8.442 -7.031 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.875 -10.101 -7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.575 -10.186 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.333 -7.146 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.960 -8.520 -10.033 1.00 0.00 H new ATOM 948 N ALA A 66 3.694 -6.122 -2.848 1.00 0.00 N ATOM 949 CA ALA A 66 2.781 -6.885 -2.005 1.00 0.00 C ATOM 950 C ALA A 66 1.485 -7.200 -2.745 1.00 0.00 C ATOM 951 O ALA A 66 1.100 -6.487 -3.671 1.00 0.00 O ATOM 952 CB ALA A 66 2.487 -6.123 -0.722 1.00 0.00 C ATOM 0 H ALA A 66 3.240 -5.425 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 66 3.262 -7.829 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.804 -6.704 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.416 -5.954 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.029 -5.164 -0.965 1.00 0.00 H new ATOM 958 N GLU A 67 0.818 -8.272 -2.331 1.00 0.00 N ATOM 959 CA GLU A 67 -0.434 -8.681 -2.956 1.00 0.00 C ATOM 960 C GLU A 67 -1.569 -8.704 -1.937 1.00 0.00 C ATOM 961 O GLU A 67 -1.690 -9.639 -1.145 1.00 0.00 O ATOM 962 CB GLU A 67 -0.282 -10.062 -3.597 1.00 0.00 C ATOM 963 CG GLU A 67 -1.552 -10.569 -4.260 1.00 0.00 C ATOM 964 CD GLU A 67 -1.307 -11.772 -5.149 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.577 -12.689 -4.717 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.843 -11.797 -6.276 1.00 0.00 O ATOM 0 H GLU A 67 1.124 -8.873 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.678 -7.953 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.515 -10.023 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.029 -10.775 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.278 -10.832 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.992 -9.768 -4.853 1.00 0.00 H new ATOM 973 N LEU A 68 -2.400 -7.667 -1.963 1.00 0.00 N ATOM 974 CA LEU A 68 -3.526 -7.566 -1.041 1.00 0.00 C ATOM 975 C LEU A 68 -4.626 -8.555 -1.415 1.00 0.00 C ATOM 976 O LEU A 68 -4.784 -8.910 -2.583 1.00 0.00 O ATOM 977 CB LEU A 68 -4.084 -6.141 -1.041 1.00 0.00 C ATOM 978 CG LEU A 68 -3.083 -5.028 -0.729 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.745 -3.665 -0.853 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.496 -5.214 0.663 1.00 0.00 C ATOM 0 H LEU A 68 -2.315 -6.885 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.168 -7.810 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.523 -5.944 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.893 -6.089 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.271 -5.082 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.018 -2.885 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.116 -3.532 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.577 -3.599 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.786 -4.413 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.297 -5.187 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.985 -6.175 0.717 1.00 0.00 H new ATOM 992 N ARG A 69 -5.384 -8.994 -0.416 1.00 0.00 N ATOM 993 CA ARG A 69 -6.470 -9.941 -0.639 1.00 0.00 C ATOM 994 C ARG A 69 -7.682 -9.590 0.218 1.00 0.00 C ATOM 995 O ARG A 69 -7.546 -9.220 1.383 1.00 0.00 O ATOM 996 CB ARG A 69 -6.005 -11.364 -0.327 1.00 0.00 C ATOM 997 CG ARG A 69 -4.837 -11.826 -1.183 1.00 0.00 C ATOM 998 CD ARG A 69 -4.627 -13.328 -1.075 1.00 0.00 C ATOM 999 NE ARG A 69 -5.780 -14.078 -1.566 1.00 0.00 N ATOM 1000 CZ ARG A 69 -5.995 -15.360 -1.289 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -5.140 -16.029 -0.528 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -7.068 -15.973 -1.772 1.00 0.00 N ATOM 0 H ARG A 69 -5.266 -8.709 0.556 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.760 -9.883 -1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.719 -11.421 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.841 -12.049 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.018 -11.557 -2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.930 -11.307 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.741 -13.612 -1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.438 -13.594 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.457 -13.591 -2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.315 -15.560 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.307 -17.013 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.728 -15.460 -2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.232 -16.957 -1.559 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.870 -9.708 -0.369 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.089 -9.399 0.355 1.00 0.00 C ATOM 1018 C GLY A 70 -10.454 -7.930 0.274 1.00 0.00 C ATOM 1019 O GLY A 70 -10.552 -7.250 1.297 1.00 0.00 O ATOM 0 H GLY A 70 -9.009 -10.012 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.908 -9.996 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.969 -9.684 1.400 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.656 -7.438 -0.943 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.011 -6.039 -1.153 1.00 0.00 C ATOM 1025 C LEU A 71 -12.208 -5.916 -2.091 1.00 0.00 C ATOM 1026 O LEU A 71 -12.743 -6.917 -2.567 1.00 0.00 O ATOM 1027 CB LEU A 71 -9.819 -5.270 -1.726 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.500 -5.413 -0.966 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.320 -5.279 -1.916 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.411 -4.379 0.147 1.00 0.00 C ATOM 0 H LEU A 71 -10.580 -7.987 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.283 -5.610 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.661 -5.598 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.080 -4.212 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.467 -6.405 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.390 -5.383 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.376 -6.057 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.348 -4.300 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.466 -4.496 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.466 -3.378 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.238 -4.522 0.843 1.00 0.00 H new ATOM 1042 N LYS A 72 -12.623 -4.681 -2.354 1.00 0.00 N ATOM 1043 CA LYS A 72 -13.754 -4.425 -3.237 1.00 0.00 C ATOM 1044 C LYS A 72 -13.277 -4.010 -4.625 1.00 0.00 C ATOM 1045 O LYS A 72 -12.441 -3.118 -4.763 1.00 0.00 O ATOM 1046 CB LYS A 72 -14.652 -3.335 -2.647 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.592 -3.841 -1.566 1.00 0.00 C ATOM 1048 CD LYS A 72 -16.601 -2.779 -1.164 1.00 0.00 C ATOM 1049 CE LYS A 72 -17.662 -2.583 -2.237 1.00 0.00 C ATOM 1050 NZ LYS A 72 -18.698 -1.598 -1.819 1.00 0.00 N ATOM 0 H LYS A 72 -12.192 -3.841 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.327 -5.348 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.026 -2.545 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.240 -2.887 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.117 -4.726 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.014 -4.145 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.078 -3.065 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.086 -1.836 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.189 -2.243 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.137 -3.539 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.402 -1.492 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.168 -1.934 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.248 -0.679 -1.634 1.00 0.00 H new ATOM 1064 N ARG A 73 -13.816 -4.662 -5.651 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.446 -4.359 -7.028 1.00 0.00 C ATOM 1066 C ARG A 73 -14.273 -3.198 -7.571 1.00 0.00 C ATOM 1067 O ARG A 73 -14.482 -3.082 -8.778 1.00 0.00 O ATOM 1068 CB ARG A 73 -13.637 -5.593 -7.912 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.054 -5.750 -8.440 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.395 -7.211 -8.693 1.00 0.00 C ATOM 1071 NE ARG A 73 -16.826 -7.470 -8.560 1.00 0.00 N ATOM 1072 CZ ARG A 73 -17.356 -8.688 -8.568 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -16.577 -9.752 -8.703 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -18.668 -8.842 -8.441 1.00 0.00 N ATOM 0 H ARG A 73 -14.510 -5.403 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.395 -4.070 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.948 -5.536 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.370 -6.483 -7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.759 -5.329 -7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.164 -5.184 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.067 -7.492 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.846 -7.838 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.453 -6.672 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.568 -9.636 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.986 -10.686 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.270 -8.025 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.075 -9.777 -8.447 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.742 -2.340 -6.670 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.541 -1.199 -7.077 1.00 0.00 C ATOM 1090 C GLY A 74 -15.791 -0.229 -5.939 1.00 0.00 C ATOM 1091 O GLY A 74 -16.929 -0.043 -5.512 1.00 0.00 O ATOM 0 H GLY A 74 -14.583 -2.415 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.036 -0.678 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.496 -1.549 -7.468 1.00 0.00 H new ATOM 1095 N ALA A 75 -14.722 0.389 -5.446 1.00 0.00 N ATOM 1096 CA ALA A 75 -14.831 1.345 -4.351 1.00 0.00 C ATOM 1097 C ALA A 75 -13.539 2.138 -4.185 1.00 0.00 C ATOM 1098 O ALA A 75 -12.458 1.660 -4.528 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.182 0.626 -3.056 1.00 0.00 C ATOM 0 H ALA A 75 -13.772 0.245 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.629 2.047 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.260 1.352 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.135 0.109 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.403 -0.099 -2.819 1.00 0.00 H new ATOM 1105 N SER A 76 -13.659 3.352 -3.657 1.00 0.00 N ATOM 1106 CA SER A 76 -12.501 4.213 -3.449 1.00 0.00 C ATOM 1107 C SER A 76 -11.629 3.687 -2.313 1.00 0.00 C ATOM 1108 O SER A 76 -12.011 3.747 -1.144 1.00 0.00 O ATOM 1109 CB SER A 76 -12.951 5.643 -3.142 1.00 0.00 C ATOM 1110 OG SER A 76 -13.702 6.183 -4.216 1.00 0.00 O ATOM 0 H SER A 76 -14.547 3.761 -3.366 1.00 0.00 H new ATOM 0 HA SER A 76 -11.911 4.214 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.553 5.651 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.079 6.269 -2.953 1.00 0.00 H new ATOM 0 HG SER A 76 -13.979 7.097 -3.995 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.457 3.172 -2.666 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.531 2.632 -1.677 1.00 0.00 C ATOM 1118 C TYR A 77 -8.239 3.444 -1.641 1.00 0.00 C ATOM 1119 O TYR A 77 -7.473 3.456 -2.605 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.218 1.168 -1.987 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.156 0.192 -1.314 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -11.488 0.099 -1.700 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -9.711 -0.638 -0.292 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -12.349 -0.790 -1.087 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -10.565 -1.531 0.326 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.883 -1.603 -0.075 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.738 -2.491 0.537 1.00 0.00 O ATOM 0 H TYR A 77 -10.125 3.117 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.006 2.695 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.262 1.016 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.196 0.950 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.856 0.733 -2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.680 -0.584 0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.382 -0.848 -1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.203 -2.169 1.119 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.253 -2.989 1.228 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.004 4.120 -0.522 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.805 4.934 -0.357 1.00 0.00 C ATOM 1139 C LEU A 78 -5.641 4.092 0.156 1.00 0.00 C ATOM 1140 O LEU A 78 -5.594 3.731 1.331 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.078 6.090 0.607 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.313 6.939 0.305 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.667 7.811 1.500 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -8.082 7.795 -0.932 1.00 0.00 C ATOM 0 H LEU A 78 -8.628 4.121 0.285 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.534 5.339 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.180 5.682 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.206 6.744 0.615 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.151 6.270 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.548 8.408 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.875 7.179 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.831 8.472 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.971 8.393 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.231 8.455 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.878 7.151 -1.787 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.702 3.785 -0.734 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.536 2.989 -0.371 1.00 0.00 C ATOM 1158 C VAL A 79 -2.358 3.880 0.006 1.00 0.00 C ATOM 1159 O VAL A 79 -2.110 4.901 -0.635 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.113 2.056 -1.521 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.889 1.244 -1.127 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.264 1.143 -1.917 1.00 0.00 C ATOM 0 H VAL A 79 -4.726 4.076 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.821 2.385 0.490 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.851 2.668 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.605 0.591 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.064 1.918 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.120 0.641 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.947 0.491 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.559 0.537 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.111 1.746 -2.244 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.635 3.486 1.050 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.483 4.250 1.512 1.00 0.00 C ATOM 1174 C GLN A 80 0.678 3.325 1.863 1.00 0.00 C ATOM 1175 O GLN A 80 0.573 2.494 2.765 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.860 5.097 2.728 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.952 6.116 2.444 1.00 0.00 C ATOM 1178 CD GLN A 80 -3.343 5.566 2.690 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -3.602 4.939 3.718 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -4.247 5.798 1.746 1.00 0.00 N ATOM 0 H GLN A 80 -1.827 2.643 1.591 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.168 4.909 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.189 4.438 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.028 5.618 3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.796 6.994 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.874 6.447 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.988 6.322 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.200 5.452 1.857 1.00 0.00 H new ATOM 1189 N VAL A 81 1.786 3.474 1.143 1.00 0.00 N ATOM 1190 CA VAL A 81 2.967 2.653 1.379 1.00 0.00 C ATOM 1191 C VAL A 81 4.114 3.487 1.938 1.00 0.00 C ATOM 1192 O VAL A 81 4.405 4.574 1.440 1.00 0.00 O ATOM 1193 CB VAL A 81 3.435 1.958 0.086 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.702 1.156 0.339 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.333 1.069 -0.470 1.00 0.00 C ATOM 0 H VAL A 81 1.890 4.156 0.392 1.00 0.00 H new ATOM 0 HA VAL A 81 2.684 1.894 2.109 1.00 0.00 H new ATOM 0 HB VAL A 81 3.661 2.724 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.017 0.672 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.491 1.823 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.507 0.397 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.681 0.586 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.073 0.308 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.454 1.675 -0.692 1.00 0.00 H new ATOM 1205 N ARG A 82 4.763 2.970 2.977 1.00 0.00 N ATOM 1206 CA ARG A 82 5.878 3.668 3.605 1.00 0.00 C ATOM 1207 C ARG A 82 7.129 2.793 3.617 1.00 0.00 C ATOM 1208 O ARG A 82 7.041 1.567 3.556 1.00 0.00 O ATOM 1209 CB ARG A 82 5.513 4.074 5.034 1.00 0.00 C ATOM 1210 CG ARG A 82 5.435 2.903 6.000 1.00 0.00 C ATOM 1211 CD ARG A 82 5.648 3.351 7.437 1.00 0.00 C ATOM 1212 NE ARG A 82 4.392 3.713 8.089 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.315 4.525 9.137 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.416 5.057 9.650 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.135 4.807 9.675 1.00 0.00 N ATOM 0 H ARG A 82 4.536 2.071 3.401 1.00 0.00 H new ATOM 0 HA ARG A 82 6.088 4.565 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.252 4.787 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.552 4.589 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.463 2.419 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.187 2.160 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.131 2.551 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.325 4.205 7.454 1.00 0.00 H new ATOM 0 HE ARG A 82 3.526 3.320 7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.325 4.843 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.354 5.680 10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.286 4.400 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.077 5.431 10.480 1.00 0.00 H new ATOM 1229 N ALA A 83 8.291 3.433 3.697 1.00 0.00 N ATOM 1230 CA ALA A 83 9.559 2.714 3.719 1.00 0.00 C ATOM 1231 C ALA A 83 10.241 2.845 5.076 1.00 0.00 C ATOM 1232 O ALA A 83 10.173 3.894 5.717 1.00 0.00 O ATOM 1233 CB ALA A 83 10.473 3.224 2.615 1.00 0.00 C ATOM 0 H ALA A 83 8.380 4.448 3.748 1.00 0.00 H new ATOM 0 HA ALA A 83 9.353 1.658 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.416 2.679 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.995 3.072 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.664 4.287 2.763 1.00 0.00 H new ATOM 1239 N ARG A 84 10.896 1.773 5.510 1.00 0.00 N ATOM 1240 CA ARG A 84 11.588 1.768 6.793 1.00 0.00 C ATOM 1241 C ARG A 84 13.099 1.686 6.595 1.00 0.00 C ATOM 1242 O ARG A 84 13.584 0.937 5.747 1.00 0.00 O ATOM 1243 CB ARG A 84 11.111 0.594 7.650 1.00 0.00 C ATOM 1244 CG ARG A 84 11.694 0.588 9.053 1.00 0.00 C ATOM 1245 CD ARG A 84 11.828 -0.827 9.594 1.00 0.00 C ATOM 1246 NE ARG A 84 10.553 -1.539 9.589 1.00 0.00 N ATOM 1247 CZ ARG A 84 10.446 -2.856 9.720 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.533 -3.601 9.867 1.00 0.00 N ATOM 1249 NH2 ARG A 84 9.250 -3.431 9.705 1.00 0.00 N ATOM 0 H ARG A 84 10.962 0.897 4.992 1.00 0.00 H new ATOM 0 HA ARG A 84 11.356 2.701 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.023 0.623 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.375 -0.339 7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.672 1.069 9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.057 1.173 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.553 -1.377 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.219 -0.791 10.611 1.00 0.00 H new ATOM 0 HE ARG A 84 9.697 -0.995 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.454 -3.163 9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.448 -4.612 9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.412 -2.861 9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.169 -4.443 9.806 1.00 0.00 H new ATOM 1263 N SER A 85 13.837 2.461 7.383 1.00 0.00 N ATOM 1264 CA SER A 85 15.292 2.479 7.291 1.00 0.00 C ATOM 1265 C SER A 85 15.925 2.350 8.674 1.00 0.00 C ATOM 1266 O SER A 85 15.306 2.682 9.684 1.00 0.00 O ATOM 1267 CB SER A 85 15.766 3.770 6.620 1.00 0.00 C ATOM 1268 OG SER A 85 17.121 3.667 6.216 1.00 0.00 O ATOM 0 H SER A 85 13.451 3.085 8.092 1.00 0.00 H new ATOM 0 HA SER A 85 15.604 1.628 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.140 3.984 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.652 4.606 7.310 1.00 0.00 H new ATOM 0 HG SER A 85 17.399 4.504 5.789 1.00 0.00 H new ATOM 1274 N GLU A 86 17.163 1.866 8.708 1.00 0.00 N ATOM 1275 CA GLU A 86 17.880 1.692 9.966 1.00 0.00 C ATOM 1276 C GLU A 86 17.518 2.796 10.955 1.00 0.00 C ATOM 1277 O GLU A 86 17.255 2.532 12.128 1.00 0.00 O ATOM 1278 CB GLU A 86 19.390 1.685 9.721 1.00 0.00 C ATOM 1279 CG GLU A 86 19.898 0.403 9.084 1.00 0.00 C ATOM 1280 CD GLU A 86 21.409 0.288 9.129 1.00 0.00 C ATOM 1281 OE1 GLU A 86 21.961 0.162 10.242 1.00 0.00 O ATOM 1282 OE2 GLU A 86 22.039 0.324 8.052 1.00 0.00 O ATOM 0 H GLU A 86 17.690 1.588 7.880 1.00 0.00 H new ATOM 0 HA GLU A 86 17.585 0.734 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.649 2.527 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.904 1.838 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.457 -0.452 9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.565 0.360 8.047 1.00 0.00 H new ATOM 1289 N ALA A 87 17.509 4.035 10.473 1.00 0.00 N ATOM 1290 CA ALA A 87 17.179 5.179 11.313 1.00 0.00 C ATOM 1291 C ALA A 87 15.827 4.989 11.994 1.00 0.00 C ATOM 1292 O ALA A 87 15.714 5.105 13.213 1.00 0.00 O ATOM 1293 CB ALA A 87 17.181 6.458 10.488 1.00 0.00 C ATOM 0 H ALA A 87 17.727 4.271 9.505 1.00 0.00 H new ATOM 0 HA ALA A 87 17.940 5.259 12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.933 7.304 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.169 6.609 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.442 6.378 9.690 1.00 0.00 H new ATOM 1299 N GLY A 88 14.804 4.697 11.196 1.00 0.00 N ATOM 1300 CA GLY A 88 13.474 4.497 11.740 1.00 0.00 C ATOM 1301 C GLY A 88 12.422 4.345 10.659 1.00 0.00 C ATOM 1302 O GLY A 88 12.683 3.761 9.607 1.00 0.00 O ATOM 0 H GLY A 88 14.873 4.596 10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.473 3.608 12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.215 5.342 12.378 1.00 0.00 H new ATOM 1306 N TYR A 89 11.230 4.869 10.919 1.00 0.00 N ATOM 1307 CA TYR A 89 10.133 4.785 9.961 1.00 0.00 C ATOM 1308 C TYR A 89 10.050 6.053 9.116 1.00 0.00 C ATOM 1309 O TYR A 89 10.239 7.160 9.617 1.00 0.00 O ATOM 1310 CB TYR A 89 8.808 4.557 10.690 1.00 0.00 C ATOM 1311 CG TYR A 89 8.469 3.097 10.886 1.00 0.00 C ATOM 1312 CD1 TYR A 89 8.042 2.313 9.822 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.576 2.501 12.137 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.730 0.979 9.997 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.267 1.167 12.321 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.845 0.410 11.249 1.00 0.00 C ATOM 1317 OH TYR A 89 7.536 -0.919 11.427 1.00 0.00 O ATOM 0 H TYR A 89 10.998 5.356 11.784 1.00 0.00 H new ATOM 0 HA TYR A 89 10.326 3.941 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.850 5.046 11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.006 5.035 10.127 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.952 2.754 8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.906 3.091 12.979 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.398 0.384 9.159 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.356 0.719 13.300 1.00 0.00 H new ATOM 0 HH TYR A 89 6.691 -1.122 10.974 1.00 0.00 H new ATOM 1327 N GLY A 90 9.765 5.880 7.829 1.00 0.00 N ATOM 1328 CA GLY A 90 9.660 7.017 6.933 1.00 0.00 C ATOM 1329 C GLY A 90 8.225 7.446 6.705 1.00 0.00 C ATOM 1330 O GLY A 90 7.281 6.712 6.998 1.00 0.00 O ATOM 0 H GLY A 90 9.605 4.973 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.225 7.853 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.117 6.765 5.976 1.00 0.00 H new ATOM 1334 N PRO A 91 8.044 8.664 6.172 1.00 0.00 N ATOM 1335 CA PRO A 91 6.715 9.218 5.895 1.00 0.00 C ATOM 1336 C PRO A 91 6.018 8.502 4.743 1.00 0.00 C ATOM 1337 O PRO A 91 6.670 7.969 3.845 1.00 0.00 O ATOM 1338 CB PRO A 91 7.008 10.673 5.522 1.00 0.00 C ATOM 1339 CG PRO A 91 8.409 10.659 5.014 1.00 0.00 C ATOM 1340 CD PRO A 91 9.123 9.594 5.799 1.00 0.00 C ATOM 0 HA PRO A 91 6.042 9.109 6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.315 11.034 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.906 11.331 6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.435 10.440 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.884 11.630 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.890 9.101 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.619 10.007 6.677 1.00 0.00 H new ATOM 1348 N PHE A 92 4.690 8.495 4.774 1.00 0.00 N ATOM 1349 CA PHE A 92 3.904 7.845 3.732 1.00 0.00 C ATOM 1350 C PHE A 92 3.970 8.635 2.428 1.00 0.00 C ATOM 1351 O PHE A 92 3.971 9.865 2.434 1.00 0.00 O ATOM 1352 CB PHE A 92 2.448 7.697 4.179 1.00 0.00 C ATOM 1353 CG PHE A 92 2.199 6.472 5.012 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.335 5.206 4.465 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.826 6.586 6.341 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.107 4.077 5.229 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.597 5.461 7.110 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.736 4.205 6.553 1.00 0.00 C ATOM 0 H PHE A 92 4.135 8.932 5.510 1.00 0.00 H new ATOM 0 HA PHE A 92 4.326 6.855 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.160 8.580 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.807 7.664 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.623 5.100 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.713 7.566 6.781 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.219 3.096 4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.310 5.564 8.146 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.555 3.325 7.152 1.00 0.00 H new ATOM 1368 N GLY A 93 4.025 7.917 1.310 1.00 0.00 N ATOM 1369 CA GLY A 93 4.091 8.566 0.014 1.00 0.00 C ATOM 1370 C GLY A 93 2.737 9.060 -0.457 1.00 0.00 C ATOM 1371 O GLY A 93 1.706 8.689 0.103 1.00 0.00 O ATOM 0 H GLY A 93 4.025 6.897 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.783 9.407 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.494 7.867 -0.719 1.00 0.00 H new ATOM 1375 N GLN A 94 2.741 9.902 -1.486 1.00 0.00 N ATOM 1376 CA GLN A 94 1.503 10.449 -2.029 1.00 0.00 C ATOM 1377 C GLN A 94 0.407 9.389 -2.061 1.00 0.00 C ATOM 1378 O GLN A 94 0.517 8.391 -2.772 1.00 0.00 O ATOM 1379 CB GLN A 94 1.738 10.999 -3.437 1.00 0.00 C ATOM 1380 CG GLN A 94 0.612 11.888 -3.939 1.00 0.00 C ATOM 1381 CD GLN A 94 0.827 12.351 -5.366 1.00 0.00 C ATOM 1382 OE1 GLN A 94 1.947 12.668 -5.766 1.00 0.00 O ATOM 1383 NE2 GLN A 94 -0.249 12.393 -6.143 1.00 0.00 N ATOM 0 H GLN A 94 3.587 10.220 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 94 1.179 11.261 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.669 11.566 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.866 10.165 -4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.331 11.345 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.523 12.758 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.158 12.121 -5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.166 12.697 -7.113 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.649 9.613 -1.285 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.764 8.675 -1.224 1.00 0.00 C ATOM 1394 C GLU A 95 -2.211 8.270 -2.626 1.00 0.00 C ATOM 1395 O GLU A 95 -2.699 9.096 -3.397 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.938 9.294 -0.462 1.00 0.00 C ATOM 1397 CG GLU A 95 -2.755 9.287 1.047 1.00 0.00 C ATOM 1398 CD GLU A 95 -3.732 10.204 1.757 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -3.555 11.437 1.673 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -4.673 9.688 2.396 1.00 0.00 O ATOM 0 H GLU A 95 -0.756 10.435 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.427 7.783 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.077 10.322 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.849 8.751 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.880 8.270 1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.736 9.592 1.287 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.040 6.992 -2.948 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.425 6.476 -4.257 1.00 0.00 C ATOM 1409 C HIS A 96 -3.806 5.830 -4.201 1.00 0.00 C ATOM 1410 O HIS A 96 -4.167 5.197 -3.208 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.394 5.460 -4.752 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.307 5.374 -6.244 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -0.133 5.564 -6.943 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.257 5.114 -7.173 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -0.366 5.426 -8.236 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -1.647 5.152 -8.402 1.00 0.00 N ATOM 0 H HIS A 96 -1.638 6.295 -2.321 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.462 7.313 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.415 5.725 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.645 4.477 -4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.301 4.914 -6.982 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.367 5.521 -9.024 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.108 4.994 -9.298 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.575 5.994 -5.273 1.00 0.00 N ATOM 1426 CA HIS A 97 -5.917 5.427 -5.346 1.00 0.00 C ATOM 1427 C HIS A 97 -5.953 4.238 -6.301 1.00 0.00 C ATOM 1428 O HIS A 97 -5.939 4.408 -7.520 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.918 6.490 -5.798 1.00 0.00 C ATOM 1430 CG HIS A 97 -6.774 7.795 -5.077 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -7.090 9.009 -5.648 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -6.346 8.070 -3.823 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.860 9.976 -4.777 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -6.409 9.433 -3.661 1.00 0.00 N ATOM 0 H HIS A 97 -4.292 6.515 -6.103 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.193 5.079 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.796 6.660 -6.868 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.929 6.112 -5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.016 7.352 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.015 11.031 -4.949 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.150 9.942 -2.816 1.00 0.00 H new ATOM 1443 N SER A 98 -5.999 3.034 -5.738 1.00 0.00 N ATOM 1444 CA SER A 98 -6.033 1.817 -6.540 1.00 0.00 C ATOM 1445 C SER A 98 -7.081 1.921 -7.643 1.00 0.00 C ATOM 1446 O SER A 98 -8.249 2.204 -7.379 1.00 0.00 O ATOM 1447 CB SER A 98 -6.328 0.606 -5.653 1.00 0.00 C ATOM 1448 OG SER A 98 -5.178 0.215 -4.923 1.00 0.00 O ATOM 0 H SER A 98 -6.014 2.876 -4.730 1.00 0.00 H new ATOM 0 HA SER A 98 -5.055 1.690 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.137 0.846 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.671 -0.225 -6.269 1.00 0.00 H new ATOM 0 HG SER A 98 -4.847 -0.641 -5.267 1.00 0.00 H new