USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 85:sc= 0.853 USER MOD Set 1.2: A 75 MET CE :methyl -135:sc= -1.16 (180deg=-8.13!) USER MOD Set 2.1: A 26 SER OG : rot -40:sc= 1.17 USER MOD Set 2.2: A 29 THR OG1 : rot 42:sc= 2.32 USER MOD Set 3.1: A 22 THR OG1 : rot -46:sc= 1.11 USER MOD Set 3.2: A 25 THR OG1 : rot -130:sc= 0.789 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -178:sc= -0.575 (180deg=-0.587) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0.0394 (180deg=-0.137) USER MOD Single : A 20 ASN : amide:sc= 0.461 X(o=0.46,f=-0.035) USER MOD Single : A 23 TYR OH : rot 180:sc=0.000652 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0407 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc=-0.00697 (180deg=-0.121) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -146:sc= 0 (180deg=-1.01) USER MOD Single : A 88 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.6) USER MOD Single : A 89 MET CE :methyl 146:sc= -0.2 (180deg=-1.16) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 170:sc= 0.00424 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -6.060 13.466 2.607 1.00 0.00 N ATOM 30 CA TYR A 3 -6.459 12.412 3.533 1.00 0.00 C ATOM 31 C TYR A 3 -7.947 12.507 3.823 1.00 0.00 C ATOM 32 O TYR A 3 -8.421 12.067 4.869 1.00 0.00 O ATOM 33 CB TYR A 3 -5.653 12.531 4.826 1.00 0.00 C ATOM 34 CG TYR A 3 -4.184 12.763 4.567 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.375 11.694 4.160 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.634 14.044 4.712 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.022 11.906 3.856 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.276 14.260 4.430 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.465 13.193 3.993 1.00 0.00 C ATOM 40 OH TYR A 3 -0.153 13.401 3.701 1.00 0.00 O ATOM 0 HA TYR A 3 -6.258 11.441 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.048 13.352 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.777 11.621 5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.795 10.702 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.255 14.864 5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.408 11.084 3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.851 15.246 4.548 1.00 0.00 H new ATOM 0 HH TYR A 3 0.069 14.344 3.848 1.00 0.00 H new ATOM 50 N GLY A 4 -8.691 13.091 2.882 1.00 0.00 N ATOM 51 CA GLY A 4 -10.108 13.319 3.042 1.00 0.00 C ATOM 52 C GLY A 4 -10.912 12.042 2.879 1.00 0.00 C ATOM 53 O GLY A 4 -10.396 11.004 2.463 1.00 0.00 O ATOM 0 H GLY A 4 -8.317 13.416 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.298 13.743 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.442 14.054 2.309 1.00 0.00 H new ATOM 57 N ARG A 5 -12.197 12.141 3.218 1.00 0.00 N ATOM 58 CA ARG A 5 -13.139 11.039 3.129 1.00 0.00 C ATOM 59 C ARG A 5 -13.100 10.394 1.744 1.00 0.00 C ATOM 60 O ARG A 5 -12.952 11.075 0.731 1.00 0.00 O ATOM 61 CB ARG A 5 -14.558 11.491 3.500 1.00 0.00 C ATOM 62 CG ARG A 5 -14.805 12.998 3.409 1.00 0.00 C ATOM 63 CD ARG A 5 -14.700 13.506 1.974 1.00 0.00 C ATOM 64 NE ARG A 5 -15.811 13.016 1.152 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.830 13.067 -0.182 1.00 0.00 C ATOM 66 NH1 ARG A 5 -14.802 13.576 -0.856 1.00 0.00 N ATOM 67 NH2 ARG A 5 -16.885 12.607 -0.854 1.00 0.00 N ATOM 0 H ARG A 5 -12.614 13.004 3.567 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.838 10.282 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.267 10.982 2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.772 11.164 4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.794 13.228 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.082 13.523 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.696 14.596 1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.754 13.183 1.540 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.618 12.612 1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.989 13.932 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.827 13.610 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.680 12.215 -0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.898 12.647 -1.873 1.00 0.00 H new ATOM 81 N PRO A 6 -13.245 9.065 1.709 1.00 0.00 N ATOM 82 CA PRO A 6 -13.271 8.271 0.495 1.00 0.00 C ATOM 83 C PRO A 6 -14.579 8.499 -0.264 1.00 0.00 C ATOM 84 O PRO A 6 -15.543 9.010 0.307 1.00 0.00 O ATOM 85 CB PRO A 6 -13.145 6.822 0.980 1.00 0.00 C ATOM 86 CG PRO A 6 -13.768 6.857 2.373 1.00 0.00 C ATOM 87 CD PRO A 6 -13.384 8.242 2.891 1.00 0.00 C ATOM 0 HA PRO A 6 -12.473 8.534 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.672 6.131 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.104 6.499 1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.850 6.727 2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.375 6.065 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.149 8.638 3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.453 8.206 3.457 1.00 0.00 H new ATOM 95 N PRO A 7 -14.622 8.121 -1.549 1.00 0.00 N ATOM 96 CA PRO A 7 -15.802 8.276 -2.385 1.00 0.00 C ATOM 97 C PRO A 7 -16.881 7.270 -1.986 1.00 0.00 C ATOM 98 O PRO A 7 -16.581 6.263 -1.344 1.00 0.00 O ATOM 99 CB PRO A 7 -15.299 8.040 -3.808 1.00 0.00 C ATOM 100 CG PRO A 7 -14.139 7.069 -3.617 1.00 0.00 C ATOM 101 CD PRO A 7 -13.528 7.523 -2.291 1.00 0.00 C ATOM 0 HA PRO A 7 -16.266 9.257 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.077 7.617 -4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.973 8.968 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.481 6.035 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.421 7.131 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.098 6.682 -1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.724 8.241 -2.454 1.00 0.00 H new ATOM 109 N PRO A 8 -18.141 7.532 -2.356 1.00 0.00 N ATOM 110 CA PRO A 8 -19.301 6.736 -1.984 1.00 0.00 C ATOM 111 C PRO A 8 -19.386 5.412 -2.740 1.00 0.00 C ATOM 112 O PRO A 8 -20.432 4.762 -2.719 1.00 0.00 O ATOM 113 CB PRO A 8 -20.501 7.632 -2.301 1.00 0.00 C ATOM 114 CG PRO A 8 -20.012 8.454 -3.488 1.00 0.00 C ATOM 115 CD PRO A 8 -18.536 8.668 -3.167 1.00 0.00 C ATOM 0 HA PRO A 8 -19.255 6.445 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -21.386 7.047 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.767 8.265 -1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -20.148 7.924 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -20.548 9.399 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.941 8.724 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.384 9.604 -2.630 1.00 0.00 H new ATOM 123 N ASP A 9 -18.307 5.000 -3.408 1.00 0.00 N ATOM 124 CA ASP A 9 -18.305 3.787 -4.208 1.00 0.00 C ATOM 125 C ASP A 9 -16.989 3.023 -4.078 1.00 0.00 C ATOM 126 O ASP A 9 -16.713 2.120 -4.868 1.00 0.00 O ATOM 127 CB ASP A 9 -18.615 4.152 -5.661 1.00 0.00 C ATOM 128 CG ASP A 9 -17.465 4.871 -6.367 1.00 0.00 C ATOM 129 OD1 ASP A 9 -16.632 5.483 -5.667 1.00 0.00 O ATOM 130 OD2 ASP A 9 -17.430 4.803 -7.617 1.00 0.00 O ATOM 0 H ASP A 9 -17.417 5.499 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 9 -19.078 3.113 -3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.858 3.243 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.501 4.787 -5.687 1.00 0.00 H new ATOM 135 N VAL A 10 -16.175 3.379 -3.081 1.00 0.00 N ATOM 136 CA VAL A 10 -14.909 2.706 -2.814 1.00 0.00 C ATOM 137 C VAL A 10 -15.118 1.211 -2.546 1.00 0.00 C ATOM 138 O VAL A 10 -14.196 0.416 -2.710 1.00 0.00 O ATOM 139 CB VAL A 10 -14.204 3.401 -1.641 1.00 0.00 C ATOM 140 CG1 VAL A 10 -14.998 3.262 -0.340 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.801 2.835 -1.438 1.00 0.00 C ATOM 0 H VAL A 10 -16.379 4.144 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.273 2.777 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.136 4.459 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.466 3.767 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.982 3.714 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.112 2.206 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.321 3.343 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.866 1.768 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.212 2.989 -2.342 1.00 0.00 H new ATOM 151 N GLU A 11 -16.328 0.827 -2.136 1.00 0.00 N ATOM 152 CA GLU A 11 -16.686 -0.563 -1.874 1.00 0.00 C ATOM 153 C GLU A 11 -16.876 -1.370 -3.163 1.00 0.00 C ATOM 154 O GLU A 11 -17.034 -2.590 -3.117 1.00 0.00 O ATOM 155 CB GLU A 11 -17.984 -0.587 -1.066 1.00 0.00 C ATOM 156 CG GLU A 11 -19.140 0.065 -1.821 1.00 0.00 C ATOM 157 CD GLU A 11 -20.429 -0.008 -1.003 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.634 0.898 -0.161 1.00 0.00 O ATOM 159 OE2 GLU A 11 -21.198 -0.970 -1.223 1.00 0.00 O ATOM 0 H GLU A 11 -17.094 1.482 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.868 -1.024 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.243 -1.618 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.831 -0.069 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.899 1.106 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.283 -0.434 -2.779 1.00 0.00 H new ATOM 166 N GLY A 12 -16.861 -0.681 -4.302 1.00 0.00 N ATOM 167 CA GLY A 12 -17.085 -1.266 -5.615 1.00 0.00 C ATOM 168 C GLY A 12 -15.870 -1.111 -6.525 1.00 0.00 C ATOM 169 O GLY A 12 -16.015 -1.141 -7.746 1.00 0.00 O ATOM 0 H GLY A 12 -16.688 0.324 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.323 -2.324 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.949 -0.792 -6.080 1.00 0.00 H new ATOM 173 N MET A 13 -14.675 -0.945 -5.944 1.00 0.00 N ATOM 174 CA MET A 13 -13.434 -0.805 -6.697 1.00 0.00 C ATOM 175 C MET A 13 -12.311 -1.606 -6.040 1.00 0.00 C ATOM 176 O MET A 13 -12.463 -2.113 -4.930 1.00 0.00 O ATOM 177 CB MET A 13 -13.027 0.669 -6.772 1.00 0.00 C ATOM 178 CG MET A 13 -14.064 1.500 -7.527 1.00 0.00 C ATOM 179 SD MET A 13 -13.555 3.212 -7.837 1.00 0.00 S ATOM 180 CE MET A 13 -13.428 3.808 -6.132 1.00 0.00 C ATOM 0 H MET A 13 -14.547 -0.905 -4.933 1.00 0.00 H new ATOM 0 HA MET A 13 -13.602 -1.189 -7.703 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.906 1.066 -5.764 1.00 0.00 H new ATOM 0 HB3 MET A 13 -12.060 0.756 -7.267 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.277 1.017 -8.481 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.994 1.506 -6.958 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.157 4.864 -6.135 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.387 3.681 -5.630 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.664 3.238 -5.603 1.00 0.00 H new ATOM 190 N THR A 14 -11.172 -1.716 -6.732 1.00 0.00 N ATOM 191 CA THR A 14 -9.983 -2.379 -6.205 1.00 0.00 C ATOM 192 C THR A 14 -9.520 -1.666 -4.936 1.00 0.00 C ATOM 193 O THR A 14 -9.828 -0.492 -4.731 1.00 0.00 O ATOM 194 CB THR A 14 -8.887 -2.362 -7.280 1.00 0.00 C ATOM 195 OG1 THR A 14 -9.395 -2.941 -8.463 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.642 -3.147 -6.863 1.00 0.00 C ATOM 0 H THR A 14 -11.052 -1.346 -7.675 1.00 0.00 H new ATOM 0 HA THR A 14 -10.208 -3.414 -5.949 1.00 0.00 H new ATOM 0 HB THR A 14 -8.598 -1.322 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.701 -2.932 -9.155 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.900 -3.102 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.226 -2.713 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.912 -4.187 -6.678 1.00 0.00 H new ATOM 203 N SER A 15 -8.780 -2.372 -4.081 1.00 0.00 N ATOM 204 CA SER A 15 -8.259 -1.823 -2.835 1.00 0.00 C ATOM 205 C SER A 15 -6.981 -2.557 -2.450 1.00 0.00 C ATOM 206 O SER A 15 -6.888 -3.775 -2.599 1.00 0.00 O ATOM 207 CB SER A 15 -9.317 -1.981 -1.740 1.00 0.00 C ATOM 208 OG SER A 15 -9.650 -3.343 -1.563 1.00 0.00 O ATOM 0 H SER A 15 -8.525 -3.347 -4.237 1.00 0.00 H new ATOM 0 HA SER A 15 -8.028 -0.765 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.943 -1.568 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.210 -1.414 -2.005 1.00 0.00 H new ATOM 0 HG SER A 15 -10.433 -3.415 -0.978 1.00 0.00 H new ATOM 214 N LEU A 16 -5.995 -1.816 -1.948 1.00 0.00 N ATOM 215 CA LEU A 16 -4.765 -2.414 -1.444 1.00 0.00 C ATOM 216 C LEU A 16 -4.240 -1.660 -0.225 1.00 0.00 C ATOM 217 O LEU A 16 -3.482 -0.705 -0.385 1.00 0.00 O ATOM 218 CB LEU A 16 -3.709 -2.418 -2.548 1.00 0.00 C ATOM 219 CG LEU A 16 -2.466 -3.185 -2.098 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.655 -4.676 -2.347 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.266 -2.699 -2.898 1.00 0.00 C ATOM 0 H LEU A 16 -6.026 -0.799 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.982 -3.437 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.119 -2.874 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.438 -1.394 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.305 -3.015 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.764 -5.215 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.519 -5.032 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.817 -4.850 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.375 -3.242 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.441 -2.874 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.121 -1.632 -2.726 1.00 0.00 H new ATOM 233 N LYS A 17 -4.647 -2.099 0.973 1.00 0.00 N ATOM 234 CA LYS A 17 -4.181 -1.558 2.245 1.00 0.00 C ATOM 235 C LYS A 17 -2.667 -1.726 2.400 1.00 0.00 C ATOM 236 O LYS A 17 -2.075 -2.649 1.847 1.00 0.00 O ATOM 237 CB LYS A 17 -4.952 -2.222 3.390 1.00 0.00 C ATOM 238 CG LYS A 17 -4.309 -2.041 4.765 1.00 0.00 C ATOM 239 CD LYS A 17 -5.275 -2.596 5.810 1.00 0.00 C ATOM 240 CE LYS A 17 -4.691 -2.517 7.217 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.424 -1.128 7.629 1.00 0.00 N ATOM 0 H LYS A 17 -5.323 -2.855 1.081 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.376 -0.486 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.963 -1.814 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.044 -3.288 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.354 -2.564 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.105 -0.987 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.211 -2.039 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.512 -3.633 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.383 -2.977 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.765 -3.091 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.224 -1.101 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.603 -0.762 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.256 -0.539 7.424 1.00 0.00 H new ATOM 255 N VAL A 18 -2.055 -0.820 3.166 1.00 0.00 N ATOM 256 CA VAL A 18 -0.636 -0.836 3.503 1.00 0.00 C ATOM 257 C VAL A 18 -0.504 -0.503 4.979 1.00 0.00 C ATOM 258 O VAL A 18 -1.131 0.457 5.434 1.00 0.00 O ATOM 259 CB VAL A 18 0.075 0.242 2.690 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.519 0.423 3.152 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.041 -0.034 1.186 1.00 0.00 C ATOM 0 H VAL A 18 -2.552 -0.032 3.580 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.199 -1.811 3.287 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.475 1.166 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.998 1.198 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.531 0.716 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.060 -0.515 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.561 0.765 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.531 -0.985 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.994 -0.078 0.848 1.00 0.00 H new ATOM 271 N ASP A 19 0.303 -1.286 5.710 1.00 0.00 N ATOM 272 CA ASP A 19 0.457 -1.168 7.157 1.00 0.00 C ATOM 273 C ASP A 19 1.796 -1.739 7.654 1.00 0.00 C ATOM 274 O ASP A 19 2.631 -2.172 6.863 1.00 0.00 O ATOM 275 CB ASP A 19 -0.712 -1.904 7.825 1.00 0.00 C ATOM 276 CG ASP A 19 -0.706 -3.404 7.530 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.187 -3.777 6.437 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.223 -4.162 8.399 1.00 0.00 O ATOM 0 H ASP A 19 0.872 -2.027 5.302 1.00 0.00 H new ATOM 0 HA ASP A 19 0.453 -0.110 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.666 -1.749 8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.652 -1.473 7.481 1.00 0.00 H new ATOM 283 N ASN A 20 1.976 -1.731 8.984 1.00 0.00 N ATOM 284 CA ASN A 20 3.105 -2.301 9.726 1.00 0.00 C ATOM 285 C ASN A 20 4.317 -1.373 9.824 1.00 0.00 C ATOM 286 O ASN A 20 5.324 -1.759 10.411 1.00 0.00 O ATOM 287 CB ASN A 20 3.531 -3.663 9.167 1.00 0.00 C ATOM 288 CG ASN A 20 4.089 -4.551 10.270 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.357 -4.980 11.158 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.386 -4.841 10.226 1.00 0.00 N ATOM 0 H ASN A 20 1.293 -1.299 9.606 1.00 0.00 H new ATOM 0 HA ASN A 20 2.728 -2.435 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.677 -4.152 8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.284 -3.523 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.800 -5.436 10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.967 -4.469 9.475 1.00 0.00 H new ATOM 297 N LEU A 21 4.239 -0.167 9.263 1.00 0.00 N ATOM 298 CA LEU A 21 5.298 0.829 9.310 1.00 0.00 C ATOM 299 C LEU A 21 5.696 1.224 10.737 1.00 0.00 C ATOM 300 O LEU A 21 5.053 0.825 11.708 1.00 0.00 O ATOM 301 CB LEU A 21 4.917 2.046 8.447 1.00 0.00 C ATOM 302 CG LEU A 21 3.540 2.686 8.678 1.00 0.00 C ATOM 303 CD1 LEU A 21 2.391 1.810 8.193 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.277 3.047 10.134 1.00 0.00 C ATOM 0 H LEU A 21 3.415 0.148 8.751 1.00 0.00 H new ATOM 0 HA LEU A 21 6.194 0.374 8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.674 2.815 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.975 1.746 7.401 1.00 0.00 H new ATOM 0 HG LEU A 21 3.576 3.601 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.444 2.315 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.498 1.629 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.409 0.859 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.287 3.494 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.326 2.147 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.029 3.759 10.474 1.00 0.00 H new ATOM 316 N THR A 22 6.770 2.009 10.856 1.00 0.00 N ATOM 317 CA THR A 22 7.342 2.389 12.145 1.00 0.00 C ATOM 318 C THR A 22 6.516 3.459 12.851 1.00 0.00 C ATOM 319 O THR A 22 5.577 4.019 12.288 1.00 0.00 O ATOM 320 CB THR A 22 8.759 2.939 11.979 1.00 0.00 C ATOM 321 OG1 THR A 22 8.715 4.239 11.435 1.00 0.00 O ATOM 322 CG2 THR A 22 9.632 2.067 11.093 1.00 0.00 C ATOM 0 H THR A 22 7.268 2.399 10.056 1.00 0.00 H new ATOM 0 HA THR A 22 7.349 1.479 12.745 1.00 0.00 H new ATOM 0 HB THR A 22 9.202 2.953 12.975 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.091 4.257 10.680 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.625 2.509 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.712 1.071 11.528 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.186 1.995 10.101 1.00 0.00 H new ATOM 329 N TYR A 23 6.872 3.744 14.104 1.00 0.00 N ATOM 330 CA TYR A 23 6.257 4.824 14.857 1.00 0.00 C ATOM 331 C TYR A 23 6.812 6.192 14.450 1.00 0.00 C ATOM 332 O TYR A 23 6.335 7.216 14.941 1.00 0.00 O ATOM 333 CB TYR A 23 6.461 4.568 16.350 1.00 0.00 C ATOM 334 CG TYR A 23 7.907 4.537 16.787 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.573 5.734 17.091 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.580 3.308 16.897 1.00 0.00 C ATOM 337 CE1 TYR A 23 9.913 5.706 17.505 1.00 0.00 C ATOM 338 CE2 TYR A 23 9.917 3.271 17.312 1.00 0.00 C ATOM 339 CZ TYR A 23 10.590 4.471 17.616 1.00 0.00 C ATOM 340 OH TYR A 23 11.893 4.441 18.013 1.00 0.00 O ATOM 0 H TYR A 23 7.590 3.233 14.618 1.00 0.00 H new ATOM 0 HA TYR A 23 5.190 4.844 14.633 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.941 5.343 16.913 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.995 3.617 16.610 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.054 6.677 17.006 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.064 2.389 16.661 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.426 6.627 17.739 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.431 2.325 17.399 1.00 0.00 H new ATOM 0 HH TYR A 23 12.206 3.513 18.038 1.00 0.00 H new ATOM 350 N ARG A 24 7.818 6.228 13.562 1.00 0.00 N ATOM 351 CA ARG A 24 8.380 7.483 13.071 1.00 0.00 C ATOM 352 C ARG A 24 7.700 7.891 11.766 1.00 0.00 C ATOM 353 O ARG A 24 7.720 9.066 11.407 1.00 0.00 O ATOM 354 CB ARG A 24 9.882 7.348 12.778 1.00 0.00 C ATOM 355 CG ARG A 24 10.735 6.825 13.935 1.00 0.00 C ATOM 356 CD ARG A 24 10.617 5.306 14.072 1.00 0.00 C ATOM 357 NE ARG A 24 11.786 4.748 14.760 1.00 0.00 N ATOM 358 CZ ARG A 24 12.769 4.067 14.160 1.00 0.00 C ATOM 359 NH1 ARG A 24 12.741 3.855 12.845 1.00 0.00 N ATOM 360 NH2 ARG A 24 13.785 3.597 14.873 1.00 0.00 N ATOM 0 H ARG A 24 8.257 5.394 13.171 1.00 0.00 H new ATOM 0 HA ARG A 24 8.218 8.229 13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.009 6.681 11.925 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.265 8.324 12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.778 7.097 13.773 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.422 7.301 14.864 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.712 5.056 14.625 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.522 4.854 13.084 1.00 0.00 H new ATOM 0 HE ARG A 24 11.854 4.889 15.768 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.966 4.213 12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.495 3.335 12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.817 3.755 15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.533 3.078 14.414 1.00 0.00 H new ATOM 374 N THR A 25 7.106 6.925 11.060 1.00 0.00 N ATOM 375 CA THR A 25 6.452 7.146 9.782 1.00 0.00 C ATOM 376 C THR A 25 5.280 8.120 9.927 1.00 0.00 C ATOM 377 O THR A 25 4.808 8.387 11.032 1.00 0.00 O ATOM 378 CB THR A 25 5.994 5.793 9.229 1.00 0.00 C ATOM 379 OG1 THR A 25 7.083 4.895 9.235 1.00 0.00 O ATOM 380 CG2 THR A 25 5.478 5.891 7.797 1.00 0.00 C ATOM 0 H THR A 25 7.069 5.954 11.372 1.00 0.00 H new ATOM 0 HA THR A 25 7.153 7.601 9.082 1.00 0.00 H new ATOM 0 HB THR A 25 5.180 5.447 9.866 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.161 4.470 8.356 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.167 4.904 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.628 6.572 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.270 6.267 7.150 1.00 0.00 H new ATOM 387 N SER A 26 4.808 8.655 8.801 1.00 0.00 N ATOM 388 CA SER A 26 3.727 9.630 8.752 1.00 0.00 C ATOM 389 C SER A 26 2.883 9.371 7.500 1.00 0.00 C ATOM 390 O SER A 26 3.296 8.594 6.638 1.00 0.00 O ATOM 391 CB SER A 26 4.342 11.034 8.730 1.00 0.00 C ATOM 392 OG SER A 26 4.957 11.287 7.483 1.00 0.00 O ATOM 0 H SER A 26 5.176 8.415 7.880 1.00 0.00 H new ATOM 0 HA SER A 26 3.079 9.545 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.569 11.779 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.077 11.128 9.530 1.00 0.00 H new ATOM 0 HG SER A 26 5.418 10.479 7.176 1.00 0.00 H new ATOM 398 N PRO A 27 1.704 9.991 7.359 1.00 0.00 N ATOM 399 CA PRO A 27 0.860 9.756 6.204 1.00 0.00 C ATOM 400 C PRO A 27 1.430 10.436 4.959 1.00 0.00 C ATOM 401 O PRO A 27 1.100 10.051 3.839 1.00 0.00 O ATOM 402 CB PRO A 27 -0.505 10.323 6.593 1.00 0.00 C ATOM 403 CG PRO A 27 -0.156 11.456 7.549 1.00 0.00 C ATOM 404 CD PRO A 27 1.085 10.935 8.276 1.00 0.00 C ATOM 0 HA PRO A 27 0.793 8.699 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.052 10.685 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.131 9.571 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.051 12.383 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.971 11.662 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.767 11.749 8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.816 10.451 9.215 1.00 0.00 H new ATOM 412 N ASP A 28 2.288 11.446 5.144 1.00 0.00 N ATOM 413 CA ASP A 28 2.913 12.139 4.025 1.00 0.00 C ATOM 414 C ASP A 28 4.077 11.329 3.471 1.00 0.00 C ATOM 415 O ASP A 28 4.351 11.380 2.272 1.00 0.00 O ATOM 416 CB ASP A 28 3.438 13.491 4.500 1.00 0.00 C ATOM 417 CG ASP A 28 4.102 14.264 3.360 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.353 14.885 2.573 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.350 14.229 3.284 1.00 0.00 O ATOM 0 H ASP A 28 2.562 11.798 6.061 1.00 0.00 H new ATOM 0 HA ASP A 28 2.168 12.272 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.616 14.078 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.156 13.341 5.306 1.00 0.00 H new ATOM 424 N THR A 29 4.766 10.576 4.332 1.00 0.00 N ATOM 425 CA THR A 29 5.884 9.770 3.859 1.00 0.00 C ATOM 426 C THR A 29 5.347 8.643 3.002 1.00 0.00 C ATOM 427 O THR A 29 5.842 8.430 1.904 1.00 0.00 O ATOM 428 CB THR A 29 6.721 9.186 5.000 1.00 0.00 C ATOM 429 OG1 THR A 29 5.995 9.077 6.200 1.00 0.00 O ATOM 430 CG2 THR A 29 7.944 10.064 5.235 1.00 0.00 C ATOM 0 H THR A 29 4.574 10.510 5.332 1.00 0.00 H new ATOM 0 HA THR A 29 6.540 10.423 3.284 1.00 0.00 H new ATOM 0 HB THR A 29 7.018 8.181 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.092 8.747 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.540 9.648 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.545 10.101 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.623 11.072 5.499 1.00 0.00 H new ATOM 437 N LEU A 30 4.337 7.929 3.488 1.00 0.00 N ATOM 438 CA LEU A 30 3.786 6.815 2.737 1.00 0.00 C ATOM 439 C LEU A 30 3.168 7.300 1.429 1.00 0.00 C ATOM 440 O LEU A 30 3.161 6.570 0.444 1.00 0.00 O ATOM 441 CB LEU A 30 2.738 6.100 3.582 1.00 0.00 C ATOM 442 CG LEU A 30 3.323 5.602 4.903 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.164 5.217 5.814 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.221 4.387 4.649 1.00 0.00 C ATOM 0 H LEU A 30 3.890 8.102 4.388 1.00 0.00 H new ATOM 0 HA LEU A 30 4.590 6.120 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.908 6.778 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.332 5.257 3.023 1.00 0.00 H new ATOM 0 HG LEU A 30 3.926 6.381 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.554 4.857 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.532 6.088 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.576 4.430 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.635 4.037 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.634 3.590 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.034 4.669 3.979 1.00 0.00 H new ATOM 456 N ARG A 31 2.650 8.530 1.413 1.00 0.00 N ATOM 457 CA ARG A 31 2.061 9.109 0.212 1.00 0.00 C ATOM 458 C ARG A 31 3.117 9.202 -0.887 1.00 0.00 C ATOM 459 O ARG A 31 2.825 8.944 -2.052 1.00 0.00 O ATOM 460 CB ARG A 31 1.496 10.488 0.576 1.00 0.00 C ATOM 461 CG ARG A 31 0.973 11.276 -0.625 1.00 0.00 C ATOM 462 CD ARG A 31 -0.141 10.521 -1.343 1.00 0.00 C ATOM 463 NE ARG A 31 -0.690 11.319 -2.443 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.074 11.499 -3.615 1.00 0.00 C ATOM 465 NH1 ARG A 31 1.105 10.936 -3.859 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.636 12.247 -4.558 1.00 0.00 N ATOM 0 H ARG A 31 2.629 9.145 2.226 1.00 0.00 H new ATOM 0 HA ARG A 31 1.253 8.484 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.687 10.361 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.274 11.070 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.602 12.245 -0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.791 11.469 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.245 9.578 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.933 10.275 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.597 11.764 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.551 10.358 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.564 11.082 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.541 12.686 -4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.163 12.382 -5.451 1.00 0.00 H new ATOM 480 N ARG A 32 4.346 9.565 -0.513 1.00 0.00 N ATOM 481 CA ARG A 32 5.441 9.773 -1.454 1.00 0.00 C ATOM 482 C ARG A 32 6.197 8.472 -1.725 1.00 0.00 C ATOM 483 O ARG A 32 6.599 8.211 -2.857 1.00 0.00 O ATOM 484 CB ARG A 32 6.363 10.814 -0.818 1.00 0.00 C ATOM 485 CG ARG A 32 7.596 11.119 -1.668 1.00 0.00 C ATOM 486 CD ARG A 32 8.476 12.124 -0.931 1.00 0.00 C ATOM 487 NE ARG A 32 7.804 13.423 -0.764 1.00 0.00 N ATOM 488 CZ ARG A 32 7.164 13.821 0.340 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.096 13.043 1.419 1.00 0.00 N ATOM 490 NH2 ARG A 32 6.576 15.013 0.374 1.00 0.00 N ATOM 0 H ARG A 32 4.608 9.723 0.460 1.00 0.00 H new ATOM 0 HA ARG A 32 5.063 10.114 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.804 11.735 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.683 10.458 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.154 10.203 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.295 11.521 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.742 11.724 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.406 12.265 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 32 7.829 14.070 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.538 12.124 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.602 13.367 2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.613 15.624 -0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.088 15.317 1.216 1.00 0.00 H new ATOM 504 N VAL A 33 6.380 7.656 -0.685 1.00 0.00 N ATOM 505 CA VAL A 33 7.023 6.350 -0.773 1.00 0.00 C ATOM 506 C VAL A 33 6.275 5.433 -1.729 1.00 0.00 C ATOM 507 O VAL A 33 6.902 4.682 -2.473 1.00 0.00 O ATOM 508 CB VAL A 33 7.024 5.726 0.625 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.330 4.232 0.609 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.033 6.427 1.527 1.00 0.00 C ATOM 0 H VAL A 33 6.078 7.893 0.260 1.00 0.00 H new ATOM 0 HA VAL A 33 8.038 6.475 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 33 6.014 5.857 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.316 3.847 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.578 3.713 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.315 4.067 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.018 5.968 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.031 6.333 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.773 7.482 1.613 1.00 0.00 H new ATOM 520 N PHE A 34 4.944 5.488 -1.713 1.00 0.00 N ATOM 521 CA PHE A 34 4.121 4.588 -2.505 1.00 0.00 C ATOM 522 C PHE A 34 3.672 5.232 -3.814 1.00 0.00 C ATOM 523 O PHE A 34 3.193 4.536 -4.706 1.00 0.00 O ATOM 524 CB PHE A 34 2.924 4.147 -1.668 1.00 0.00 C ATOM 525 CG PHE A 34 3.275 3.050 -0.685 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.868 3.358 0.549 1.00 0.00 C ATOM 527 CD2 PHE A 34 3.016 1.713 -1.012 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.211 2.335 1.442 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.347 0.687 -0.119 1.00 0.00 C ATOM 530 CZ PHE A 34 3.955 0.998 1.106 1.00 0.00 C ATOM 0 H PHE A 34 4.413 6.155 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 34 4.716 3.716 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.530 5.005 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.131 3.797 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.061 4.388 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.558 1.472 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.672 2.576 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.135 -0.341 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.226 0.208 1.790 1.00 0.00 H new ATOM 540 N GLU A 35 3.829 6.553 -3.940 1.00 0.00 N ATOM 541 CA GLU A 35 3.493 7.257 -5.174 1.00 0.00 C ATOM 542 C GLU A 35 4.276 6.725 -6.376 1.00 0.00 C ATOM 543 O GLU A 35 3.789 6.793 -7.507 1.00 0.00 O ATOM 544 CB GLU A 35 3.758 8.754 -4.985 1.00 0.00 C ATOM 545 CG GLU A 35 3.635 9.528 -6.299 1.00 0.00 C ATOM 546 CD GLU A 35 3.689 11.034 -6.056 1.00 0.00 C ATOM 547 OE1 GLU A 35 4.811 11.563 -5.890 1.00 0.00 O ATOM 548 OE2 GLU A 35 2.599 11.649 -6.040 1.00 0.00 O ATOM 0 H GLU A 35 4.188 7.155 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 35 2.437 7.087 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.053 9.158 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.757 8.896 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.440 9.236 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.697 9.269 -6.791 1.00 0.00 H new ATOM 555 N LYS A 36 5.482 6.191 -6.160 1.00 0.00 N ATOM 556 CA LYS A 36 6.323 5.729 -7.260 1.00 0.00 C ATOM 557 C LYS A 36 5.802 4.432 -7.882 1.00 0.00 C ATOM 558 O LYS A 36 6.174 4.094 -9.006 1.00 0.00 O ATOM 559 CB LYS A 36 7.750 5.548 -6.745 1.00 0.00 C ATOM 560 CG LYS A 36 7.883 4.347 -5.806 1.00 0.00 C ATOM 561 CD LYS A 36 9.308 4.210 -5.267 1.00 0.00 C ATOM 562 CE LYS A 36 9.685 5.435 -4.428 1.00 0.00 C ATOM 563 NZ LYS A 36 11.047 5.311 -3.870 1.00 0.00 N ATOM 0 H LYS A 36 5.894 6.070 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 36 6.303 6.480 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.425 5.421 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.062 6.452 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.187 4.456 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.605 3.437 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.388 3.308 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.007 4.100 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.623 6.332 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.968 5.556 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.270 6.157 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.098 4.468 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.733 5.220 -4.646 1.00 0.00 H new ATOM 577 N TYR A 37 4.948 3.721 -7.150 1.00 0.00 N ATOM 578 CA TYR A 37 4.352 2.477 -7.617 1.00 0.00 C ATOM 579 C TYR A 37 3.087 2.744 -8.431 1.00 0.00 C ATOM 580 O TYR A 37 2.610 1.856 -9.134 1.00 0.00 O ATOM 581 CB TYR A 37 4.003 1.608 -6.411 1.00 0.00 C ATOM 582 CG TYR A 37 5.202 1.201 -5.594 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.770 2.109 -4.693 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.747 -0.080 -5.740 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.899 1.749 -3.944 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.875 -0.446 -5.000 1.00 0.00 C ATOM 587 CZ TYR A 37 7.465 0.467 -4.106 1.00 0.00 C ATOM 588 OH TYR A 37 8.576 0.106 -3.403 1.00 0.00 O ATOM 0 H TYR A 37 4.650 3.994 -6.213 1.00 0.00 H new ATOM 0 HA TYR A 37 5.071 1.967 -8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.306 2.150 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.488 0.712 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.337 3.091 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.297 -0.785 -6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.333 2.450 -3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.296 -1.434 -5.115 1.00 0.00 H new ATOM 0 HH TYR A 37 8.310 -0.234 -2.523 1.00 0.00 H new ATOM 598 N GLY A 38 2.551 3.958 -8.337 1.00 0.00 N ATOM 599 CA GLY A 38 1.323 4.338 -9.001 1.00 0.00 C ATOM 600 C GLY A 38 0.533 5.268 -8.085 1.00 0.00 C ATOM 601 O GLY A 38 1.025 5.698 -7.043 1.00 0.00 O ATOM 0 H GLY A 38 2.968 4.710 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.544 4.837 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.733 3.453 -9.238 1.00 0.00 H new ATOM 605 N ARG A 39 -0.701 5.568 -8.480 1.00 0.00 N ATOM 606 CA ARG A 39 -1.576 6.411 -7.686 1.00 0.00 C ATOM 607 C ARG A 39 -1.887 5.675 -6.387 1.00 0.00 C ATOM 608 O ARG A 39 -2.472 4.593 -6.404 1.00 0.00 O ATOM 609 CB ARG A 39 -2.833 6.784 -8.483 1.00 0.00 C ATOM 610 CG ARG A 39 -3.751 5.593 -8.789 1.00 0.00 C ATOM 611 CD ARG A 39 -4.873 6.014 -9.738 1.00 0.00 C ATOM 612 NE ARG A 39 -4.355 6.398 -11.052 1.00 0.00 N ATOM 613 CZ ARG A 39 -5.104 6.923 -12.027 1.00 0.00 C ATOM 614 NH1 ARG A 39 -6.404 7.130 -11.846 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.550 7.242 -13.194 1.00 0.00 N ATOM 0 H ARG A 39 -1.115 5.235 -9.351 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.092 7.356 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.397 7.531 -7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.532 7.249 -9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.172 4.785 -9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.176 5.206 -7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.581 5.193 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.422 6.850 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.362 6.256 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.840 6.888 -10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.966 7.531 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.553 7.086 -13.345 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.122 7.643 -13.938 1.00 0.00 H new ATOM 629 N VAL A 40 -1.493 6.265 -5.255 1.00 0.00 N ATOM 630 CA VAL A 40 -1.732 5.661 -3.948 1.00 0.00 C ATOM 631 C VAL A 40 -3.220 5.410 -3.722 1.00 0.00 C ATOM 632 O VAL A 40 -3.576 4.612 -2.861 1.00 0.00 O ATOM 633 CB VAL A 40 -1.165 6.519 -2.812 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.315 6.798 -3.054 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.923 7.842 -2.673 1.00 0.00 C ATOM 0 H VAL A 40 -1.007 7.161 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.210 4.704 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.286 5.960 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.708 7.408 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.861 5.855 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.435 7.330 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.493 8.424 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.844 8.406 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.973 7.639 -2.460 1.00 0.00 H new ATOM 645 N GLY A 41 -4.073 6.089 -4.496 1.00 0.00 N ATOM 646 CA GLY A 41 -5.518 5.930 -4.485 1.00 0.00 C ATOM 647 C GLY A 41 -6.160 6.586 -3.270 1.00 0.00 C ATOM 648 O GLY A 41 -7.086 7.386 -3.409 1.00 0.00 O ATOM 0 H GLY A 41 -3.758 6.788 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.936 6.364 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.765 4.868 -4.496 1.00 0.00 H new ATOM 652 N ASP A 42 -5.671 6.255 -2.077 1.00 0.00 N ATOM 653 CA ASP A 42 -6.139 6.820 -0.823 1.00 0.00 C ATOM 654 C ASP A 42 -5.080 6.575 0.248 1.00 0.00 C ATOM 655 O ASP A 42 -4.202 5.731 0.078 1.00 0.00 O ATOM 656 CB ASP A 42 -7.469 6.162 -0.433 1.00 0.00 C ATOM 657 CG ASP A 42 -8.102 6.867 0.761 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.015 8.113 0.795 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.668 6.160 1.625 1.00 0.00 O ATOM 0 H ASP A 42 -4.923 5.572 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.303 7.893 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.154 6.190 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.302 5.112 -0.192 1.00 0.00 H new ATOM 664 N VAL A 43 -5.158 7.311 1.354 1.00 0.00 N ATOM 665 CA VAL A 43 -4.201 7.192 2.443 1.00 0.00 C ATOM 666 C VAL A 43 -4.872 7.590 3.750 1.00 0.00 C ATOM 667 O VAL A 43 -5.473 8.660 3.842 1.00 0.00 O ATOM 668 CB VAL A 43 -2.953 8.035 2.133 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.323 9.411 1.570 1.00 0.00 C ATOM 670 CG2 VAL A 43 -2.064 8.195 3.371 1.00 0.00 C ATOM 0 H VAL A 43 -5.887 8.005 1.517 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.868 6.159 2.549 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.391 7.495 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.414 9.976 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.890 9.286 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.929 9.951 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.191 8.796 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.627 8.690 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.740 7.213 3.716 1.00 0.00 H new ATOM 680 N TYR A 44 -4.764 6.724 4.764 1.00 0.00 N ATOM 681 CA TYR A 44 -5.330 6.995 6.072 1.00 0.00 C ATOM 682 C TYR A 44 -4.471 6.420 7.197 1.00 0.00 C ATOM 683 O TYR A 44 -3.669 5.514 6.972 1.00 0.00 O ATOM 684 CB TYR A 44 -6.763 6.465 6.140 1.00 0.00 C ATOM 685 CG TYR A 44 -7.549 7.130 7.245 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.639 8.529 7.285 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.177 6.355 8.229 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.340 9.160 8.320 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.887 6.983 9.261 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.968 8.388 9.311 1.00 0.00 C ATOM 691 OH TYR A 44 -9.655 9.004 10.314 1.00 0.00 O ATOM 0 H TYR A 44 -4.285 5.826 4.694 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.348 8.075 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.260 6.636 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.746 5.387 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.166 9.121 6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.114 5.277 8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.398 10.238 8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.373 6.388 10.020 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.031 8.328 10.916 1.00 0.00 H new ATOM 701 N ILE A 45 -4.648 6.959 8.406 1.00 0.00 N ATOM 702 CA ILE A 45 -4.013 6.498 9.634 1.00 0.00 C ATOM 703 C ILE A 45 -5.056 6.674 10.739 1.00 0.00 C ATOM 704 O ILE A 45 -5.136 7.734 11.355 1.00 0.00 O ATOM 705 CB ILE A 45 -2.724 7.289 9.928 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.671 6.969 8.861 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.177 6.921 11.314 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.350 7.698 9.118 1.00 0.00 C ATOM 0 H ILE A 45 -5.262 7.759 8.557 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.703 5.456 9.556 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.953 8.355 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.493 5.894 8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.054 7.249 7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.266 7.488 11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.921 7.159 12.074 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.954 5.854 11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.365 7.441 8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.521 8.774 9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.048 7.399 10.088 1.00 0.00 H new ATOM 720 N PRO A 46 -5.863 5.632 10.992 1.00 0.00 N ATOM 721 CA PRO A 46 -6.962 5.671 11.943 1.00 0.00 C ATOM 722 C PRO A 46 -6.548 6.050 13.352 1.00 0.00 C ATOM 723 O PRO A 46 -7.385 6.489 14.138 1.00 0.00 O ATOM 724 CB PRO A 46 -7.560 4.267 11.944 1.00 0.00 C ATOM 725 CG PRO A 46 -7.133 3.684 10.601 1.00 0.00 C ATOM 726 CD PRO A 46 -5.784 4.338 10.339 1.00 0.00 C ATOM 0 HA PRO A 46 -7.668 6.443 11.638 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.182 3.673 12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.645 4.295 12.040 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.050 2.598 10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.851 3.919 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.969 3.739 10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.598 4.445 9.270 1.00 0.00 H new ATOM 734 N ARG A 47 -5.260 5.866 13.641 1.00 0.00 N ATOM 735 CA ARG A 47 -4.639 6.096 14.940 1.00 0.00 C ATOM 736 C ARG A 47 -5.662 5.862 16.049 1.00 0.00 C ATOM 737 O ARG A 47 -6.064 4.721 16.266 1.00 0.00 O ATOM 738 CB ARG A 47 -4.014 7.496 14.922 1.00 0.00 C ATOM 739 CG ARG A 47 -2.988 7.680 16.038 1.00 0.00 C ATOM 740 CD ARG A 47 -2.102 8.878 15.678 1.00 0.00 C ATOM 741 NE ARG A 47 -1.155 9.185 16.753 1.00 0.00 N ATOM 742 CZ ARG A 47 -0.483 10.336 16.856 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.619 11.293 15.944 1.00 0.00 N ATOM 744 NH2 ARG A 47 0.333 10.536 17.884 1.00 0.00 N ATOM 0 H ARG A 47 -4.593 5.538 12.943 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.833 5.391 15.146 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.535 7.667 13.958 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.799 8.245 15.025 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.489 7.850 16.991 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.384 6.780 16.151 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.555 8.665 14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.727 9.749 15.482 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.998 8.475 17.469 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.244 11.155 15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.098 12.165 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.446 9.812 18.594 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.847 11.414 17.964 1.00 0.00 H new ATOM 758 N ASP A 48 -6.087 6.917 16.745 1.00 0.00 N ATOM 759 CA ASP A 48 -7.217 6.832 17.656 1.00 0.00 C ATOM 760 C ASP A 48 -7.897 8.197 17.725 1.00 0.00 C ATOM 761 O ASP A 48 -7.269 9.201 18.064 1.00 0.00 O ATOM 762 CB ASP A 48 -6.775 6.344 19.033 1.00 0.00 C ATOM 763 CG ASP A 48 -7.978 6.086 19.930 1.00 0.00 C ATOM 764 OD1 ASP A 48 -8.690 7.071 20.229 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.183 4.908 20.302 1.00 0.00 O ATOM 0 H ASP A 48 -5.660 7.842 16.691 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.935 6.101 17.285 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.191 5.429 18.929 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.125 7.087 19.495 1.00 0.00 H new ATOM 770 N ARG A 49 -9.186 8.209 17.396 1.00 0.00 N ATOM 771 CA ARG A 49 -10.031 9.388 17.283 1.00 0.00 C ATOM 772 C ARG A 49 -10.196 10.150 18.602 1.00 0.00 C ATOM 773 O ARG A 49 -10.884 11.174 18.621 1.00 0.00 O ATOM 774 CB ARG A 49 -11.362 8.898 16.709 1.00 0.00 C ATOM 775 CG ARG A 49 -12.417 9.982 16.474 1.00 0.00 C ATOM 776 CD ARG A 49 -13.565 9.361 15.677 1.00 0.00 C ATOM 777 NE ARG A 49 -14.863 9.867 16.135 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.379 11.063 15.840 1.00 0.00 C ATOM 779 NH1 ARG A 49 -14.735 11.929 15.065 1.00 0.00 N ATOM 780 NH2 ARG A 49 -16.564 11.398 16.334 1.00 0.00 N ATOM 0 H ARG A 49 -9.694 7.348 17.191 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.569 10.126 16.627 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.166 8.395 15.762 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.777 8.152 17.387 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.781 10.372 17.425 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.986 10.822 15.929 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.438 9.584 14.618 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.538 8.276 15.780 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.419 9.253 16.730 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.822 11.687 14.679 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.153 12.836 14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.070 10.745 16.932 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.969 12.309 16.116 1.00 0.00 H new ATOM 794 N TYR A 50 -9.592 9.689 19.704 1.00 0.00 N ATOM 795 CA TYR A 50 -9.784 10.327 21.003 1.00 0.00 C ATOM 796 C TYR A 50 -8.534 10.299 21.883 1.00 0.00 C ATOM 797 O TYR A 50 -8.468 11.044 22.861 1.00 0.00 O ATOM 798 CB TYR A 50 -10.893 9.612 21.776 1.00 0.00 C ATOM 799 CG TYR A 50 -12.164 9.364 21.005 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.148 10.360 20.917 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.361 8.125 20.383 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.334 10.116 20.214 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.542 7.873 19.680 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.538 8.867 19.593 1.00 0.00 C ATOM 805 OH TYR A 50 -15.691 8.621 18.912 1.00 0.00 O ATOM 0 H TYR A 50 -8.970 8.881 19.718 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.036 11.365 20.788 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.508 8.654 22.127 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.134 10.202 22.660 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.990 11.317 21.392 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.599 7.363 20.447 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.091 10.883 20.148 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.692 6.916 19.203 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.667 7.712 18.545 1.00 0.00 H new ATOM 815 N THR A 51 -7.547 9.458 21.555 1.00 0.00 N ATOM 816 CA THR A 51 -6.379 9.270 22.407 1.00 0.00 C ATOM 817 C THR A 51 -5.077 9.309 21.606 1.00 0.00 C ATOM 818 O THR A 51 -3.994 9.280 22.190 1.00 0.00 O ATOM 819 CB THR A 51 -6.512 7.946 23.168 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.315 6.872 22.279 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.899 7.804 23.799 1.00 0.00 C ATOM 0 H THR A 51 -7.539 8.898 20.703 1.00 0.00 H new ATOM 0 HA THR A 51 -6.337 10.095 23.118 1.00 0.00 H new ATOM 0 HB THR A 51 -5.761 7.937 23.958 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.399 6.025 22.765 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.961 6.855 24.331 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.066 8.624 24.498 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.659 7.832 23.018 1.00 0.00 H new ATOM 828 N LYS A 52 -5.193 9.378 20.273 1.00 0.00 N ATOM 829 CA LYS A 52 -4.100 9.472 19.311 1.00 0.00 C ATOM 830 C LYS A 52 -2.804 8.791 19.770 1.00 0.00 C ATOM 831 O LYS A 52 -1.774 9.449 19.887 1.00 0.00 O ATOM 832 CB LYS A 52 -3.852 10.945 18.960 1.00 0.00 C ATOM 833 CG LYS A 52 -5.089 11.572 18.314 1.00 0.00 C ATOM 834 CD LYS A 52 -4.801 13.023 17.940 1.00 0.00 C ATOM 835 CE LYS A 52 -6.001 13.641 17.213 1.00 0.00 C ATOM 836 NZ LYS A 52 -7.189 13.722 18.092 1.00 0.00 N ATOM 0 H LYS A 52 -6.105 9.369 19.817 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.413 8.922 18.423 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.589 11.498 19.862 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.004 11.022 18.280 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.371 11.008 17.425 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.933 11.525 19.003 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.577 13.598 18.838 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.918 13.072 17.303 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.739 14.639 16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.240 13.045 16.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.931 14.279 17.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.545 12.764 18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.927 14.180 18.988 1.00 0.00 H new ATOM 850 N GLU A 53 -2.839 7.482 20.033 1.00 0.00 N ATOM 851 CA GLU A 53 -1.680 6.756 20.541 1.00 0.00 C ATOM 852 C GLU A 53 -1.427 5.447 19.788 1.00 0.00 C ATOM 853 O GLU A 53 -0.846 4.517 20.345 1.00 0.00 O ATOM 854 CB GLU A 53 -1.834 6.527 22.049 1.00 0.00 C ATOM 855 CG GLU A 53 -3.048 5.654 22.380 1.00 0.00 C ATOM 856 CD GLU A 53 -3.143 5.405 23.884 1.00 0.00 C ATOM 857 OE1 GLU A 53 -3.444 6.367 24.622 1.00 0.00 O ATOM 858 OE2 GLU A 53 -2.911 4.245 24.295 1.00 0.00 O ATOM 0 H GLU A 53 -3.667 6.902 19.900 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.796 7.370 20.367 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.932 6.054 22.437 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.932 7.489 22.553 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.958 6.141 22.029 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.972 4.703 21.853 1.00 0.00 H new ATOM 865 N SER A 54 -1.859 5.371 18.527 1.00 0.00 N ATOM 866 CA SER A 54 -1.755 4.160 17.715 1.00 0.00 C ATOM 867 C SER A 54 -1.152 4.459 16.337 1.00 0.00 C ATOM 868 O SER A 54 -1.549 3.863 15.341 1.00 0.00 O ATOM 869 CB SER A 54 -3.128 3.502 17.586 1.00 0.00 C ATOM 870 OG SER A 54 -3.653 3.217 18.868 1.00 0.00 O ATOM 0 H SER A 54 -2.293 6.154 18.039 1.00 0.00 H new ATOM 0 HA SER A 54 -1.080 3.466 18.216 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.807 4.162 17.045 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.046 2.583 17.005 1.00 0.00 H new ATOM 0 HG SER A 54 -4.534 2.797 18.775 1.00 0.00 H new ATOM 876 N ARG A 55 -0.193 5.392 16.283 1.00 0.00 N ATOM 877 CA ARG A 55 0.519 5.790 15.067 1.00 0.00 C ATOM 878 C ARG A 55 1.300 4.623 14.446 1.00 0.00 C ATOM 879 O ARG A 55 1.911 4.772 13.391 1.00 0.00 O ATOM 880 CB ARG A 55 1.450 6.955 15.432 1.00 0.00 C ATOM 881 CG ARG A 55 2.248 7.510 14.247 1.00 0.00 C ATOM 882 CD ARG A 55 2.998 8.770 14.685 1.00 0.00 C ATOM 883 NE ARG A 55 3.898 9.248 13.630 1.00 0.00 N ATOM 884 CZ ARG A 55 4.631 10.363 13.711 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.571 11.140 14.788 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.430 10.700 12.702 1.00 0.00 N ATOM 0 H ARG A 55 0.116 5.904 17.109 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.199 6.102 14.309 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.856 7.759 15.865 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.146 6.623 16.202 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.953 6.761 13.886 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.578 7.742 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.282 9.552 14.938 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.572 8.559 15.588 1.00 0.00 H new ATOM 0 HE ARG A 55 3.969 8.692 12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.960 10.888 15.565 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.136 11.988 14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.481 10.109 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.992 11.550 12.758 1.00 0.00 H new ATOM 900 N GLY A 56 1.278 3.461 15.103 1.00 0.00 N ATOM 901 CA GLY A 56 2.069 2.292 14.731 1.00 0.00 C ATOM 902 C GLY A 56 1.638 1.626 13.421 1.00 0.00 C ATOM 903 O GLY A 56 2.191 0.586 13.067 1.00 0.00 O ATOM 0 H GLY A 56 0.696 3.306 15.926 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.115 2.588 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.009 1.558 15.534 1.00 0.00 H new ATOM 907 N PHE A 57 0.667 2.189 12.692 1.00 0.00 N ATOM 908 CA PHE A 57 0.224 1.606 11.438 1.00 0.00 C ATOM 909 C PHE A 57 -0.454 2.648 10.548 1.00 0.00 C ATOM 910 O PHE A 57 -0.631 3.796 10.946 1.00 0.00 O ATOM 911 CB PHE A 57 -0.735 0.449 11.719 1.00 0.00 C ATOM 912 CG PHE A 57 -2.104 0.925 12.132 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.329 1.408 13.428 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.157 0.891 11.207 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.602 1.860 13.797 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.426 1.349 11.572 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.652 1.826 12.871 1.00 0.00 C ATOM 0 H PHE A 57 0.179 3.045 12.955 1.00 0.00 H new ATOM 0 HA PHE A 57 1.099 1.233 10.906 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.823 -0.171 10.827 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.320 -0.181 12.506 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.520 1.432 14.143 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.987 0.510 10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.774 2.235 14.795 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.232 1.336 10.854 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.636 2.167 13.157 1.00 0.00 H new ATOM 927 N ALA A 58 -0.838 2.227 9.340 1.00 0.00 N ATOM 928 CA ALA A 58 -1.540 3.057 8.377 1.00 0.00 C ATOM 929 C ALA A 58 -2.487 2.207 7.530 1.00 0.00 C ATOM 930 O ALA A 58 -2.655 1.012 7.769 1.00 0.00 O ATOM 931 CB ALA A 58 -0.533 3.786 7.483 1.00 0.00 C ATOM 0 H ALA A 58 -0.663 1.280 9.004 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.132 3.797 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.068 4.406 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.110 4.416 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.076 3.056 6.950 1.00 0.00 H new ATOM 937 N PHE A 59 -3.105 2.846 6.538 1.00 0.00 N ATOM 938 CA PHE A 59 -4.064 2.241 5.633 1.00 0.00 C ATOM 939 C PHE A 59 -3.973 2.967 4.289 1.00 0.00 C ATOM 940 O PHE A 59 -4.930 3.619 3.864 1.00 0.00 O ATOM 941 CB PHE A 59 -5.450 2.365 6.264 1.00 0.00 C ATOM 942 CG PHE A 59 -6.505 1.428 5.717 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.506 1.029 4.371 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.494 0.946 6.584 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.494 0.154 3.897 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.474 0.062 6.113 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.470 -0.337 4.771 1.00 0.00 C ATOM 0 H PHE A 59 -2.942 3.833 6.341 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.861 1.184 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.358 2.193 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.798 3.390 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.744 1.397 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.501 1.257 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.502 -0.141 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.232 -0.311 6.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.221 -1.024 4.410 1.00 0.00 H new ATOM 957 N VAL A 60 -2.826 2.871 3.606 1.00 0.00 N ATOM 958 CA VAL A 60 -2.761 3.399 2.242 1.00 0.00 C ATOM 959 C VAL A 60 -3.529 2.415 1.367 1.00 0.00 C ATOM 960 O VAL A 60 -3.399 1.217 1.587 1.00 0.00 O ATOM 961 CB VAL A 60 -1.314 3.553 1.749 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.287 4.327 0.431 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.469 4.305 2.772 1.00 0.00 C ATOM 0 H VAL A 60 -1.965 2.451 3.957 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.195 4.398 2.201 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.903 2.554 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.257 4.430 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.865 3.788 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.720 5.316 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.551 4.402 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.891 5.297 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.462 3.755 3.713 1.00 0.00 H new ATOM 973 N ARG A 61 -4.321 2.885 0.397 1.00 0.00 N ATOM 974 CA ARG A 61 -5.222 2.015 -0.354 1.00 0.00 C ATOM 975 C ARG A 61 -5.274 2.391 -1.827 1.00 0.00 C ATOM 976 O ARG A 61 -5.880 3.394 -2.196 1.00 0.00 O ATOM 977 CB ARG A 61 -6.611 2.070 0.287 1.00 0.00 C ATOM 978 CG ARG A 61 -7.694 1.463 -0.615 1.00 0.00 C ATOM 979 CD ARG A 61 -9.041 1.455 0.101 1.00 0.00 C ATOM 980 NE ARG A 61 -9.336 2.760 0.711 1.00 0.00 N ATOM 981 CZ ARG A 61 -10.361 2.972 1.539 1.00 0.00 C ATOM 982 NH1 ARG A 61 -11.268 2.022 1.748 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.483 4.142 2.154 1.00 0.00 N ATOM 0 H ARG A 61 -4.354 3.865 0.116 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.845 0.993 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.592 1.536 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.865 3.106 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.770 2.036 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.417 0.446 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.829 1.197 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.040 0.684 0.872 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.724 3.546 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.183 1.123 1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.048 2.193 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.794 4.877 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.266 4.306 2.787 1.00 0.00 H new ATOM 997 N PHE A 62 -4.630 1.571 -2.664 1.00 0.00 N ATOM 998 CA PHE A 62 -4.638 1.776 -4.107 1.00 0.00 C ATOM 999 C PHE A 62 -6.006 1.370 -4.657 1.00 0.00 C ATOM 1000 O PHE A 62 -6.750 0.681 -3.963 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.543 0.934 -4.770 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.122 1.335 -4.425 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.571 1.019 -3.175 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.348 2.023 -5.371 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.244 1.364 -2.879 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.024 2.370 -5.080 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.531 2.030 -3.840 1.00 0.00 C ATOM 0 H PHE A 62 -4.096 0.757 -2.360 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.446 2.827 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.688 -0.109 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.667 0.992 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.171 0.508 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.775 2.286 -6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.179 1.118 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.569 2.899 -5.811 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.559 2.281 -3.623 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.323 1.790 -5.890 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.602 1.492 -6.535 1.00 0.00 C ATOM 1019 C HIS A 63 -7.419 0.963 -7.956 1.00 0.00 C ATOM 1020 O HIS A 63 -8.394 0.842 -8.697 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.477 2.742 -6.596 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.758 3.388 -5.267 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.472 2.826 -4.209 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.357 4.644 -4.925 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.484 3.767 -3.251 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.823 4.867 -3.653 1.00 0.00 N ATOM 0 H HIS A 63 -5.694 2.348 -6.467 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.082 0.722 -5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.994 3.474 -7.244 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.426 2.480 -7.063 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.895 1.898 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.786 5.329 -5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.960 3.655 -2.288 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.185 0.645 -8.350 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.907 0.095 -9.670 1.00 0.00 C ATOM 1036 C ASP A 64 -5.028 -1.134 -9.519 1.00 0.00 C ATOM 1037 O ASP A 64 -4.006 -1.096 -8.832 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.252 1.171 -10.536 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.195 0.763 -12.008 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.828 -0.402 -12.278 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -5.521 1.623 -12.855 1.00 0.00 O ATOM 0 H ASP A 64 -5.358 0.762 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.828 -0.212 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.809 2.103 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.242 1.364 -10.173 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.429 -2.236 -10.161 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.812 -3.537 -9.939 1.00 0.00 C ATOM 1048 C LYS A 65 -3.339 -3.592 -10.337 1.00 0.00 C ATOM 1049 O LYS A 65 -2.583 -4.317 -9.699 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.618 -4.623 -10.648 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.602 -4.460 -12.175 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.499 -5.505 -12.839 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.044 -6.919 -12.475 1.00 0.00 C ATOM 1054 NZ LYS A 65 -6.867 -7.933 -13.162 1.00 0.00 N ATOM 0 H LYS A 65 -6.186 -2.246 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.828 -3.716 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.215 -5.601 -10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.648 -4.597 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.941 -3.459 -12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.582 -4.560 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.532 -5.358 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.475 -5.377 -13.921 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.997 -7.049 -12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.112 -7.060 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.538 -8.884 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.862 -7.821 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.782 -7.810 -14.191 1.00 0.00 H new ATOM 1068 N ARG A 66 -2.903 -2.855 -11.368 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.509 -2.957 -11.779 1.00 0.00 C ATOM 1070 C ARG A 66 -0.613 -2.213 -10.792 1.00 0.00 C ATOM 1071 O ARG A 66 0.485 -2.675 -10.482 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.346 -2.442 -13.213 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.548 -0.929 -13.325 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.556 -0.498 -14.789 1.00 0.00 C ATOM 1075 NE ARG A 66 -0.298 -0.864 -15.446 1.00 0.00 N ATOM 1076 CZ ARG A 66 0.020 -0.523 -16.698 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -0.814 0.199 -17.448 1.00 0.00 N ATOM 1078 NH2 ARG A 66 1.183 -0.907 -17.211 1.00 0.00 N ATOM 0 H ARG A 66 -3.475 -2.207 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.201 -4.002 -11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.351 -2.699 -13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.062 -2.949 -13.860 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.488 -0.646 -12.851 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.752 -0.409 -12.791 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.392 -0.968 -15.307 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.706 0.580 -14.855 1.00 0.00 H new ATOM 0 HE ARG A 66 0.377 -1.413 -14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.711 0.500 -17.068 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.554 0.450 -18.402 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.830 -1.460 -16.650 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.429 -0.649 -18.167 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.082 -1.063 -10.303 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.346 -0.280 -9.323 1.00 0.00 C ATOM 1094 C ASP A 67 -0.351 -1.025 -7.989 1.00 0.00 C ATOM 1095 O ASP A 67 0.581 -0.896 -7.200 1.00 0.00 O ATOM 1096 CB ASP A 67 -1.009 1.088 -9.157 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.980 1.914 -10.447 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.046 1.712 -11.255 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.901 2.743 -10.607 1.00 0.00 O ATOM 0 H ASP A 67 -1.976 -0.655 -10.576 1.00 0.00 H new ATOM 0 HA ASP A 67 0.681 -0.137 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.043 0.951 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.503 1.640 -8.365 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.409 -1.805 -7.742 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.571 -2.523 -6.492 1.00 0.00 C ATOM 1106 C ALA A 68 -0.767 -3.820 -6.463 1.00 0.00 C ATOM 1107 O ALA A 68 -0.136 -4.128 -5.456 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.056 -2.845 -6.308 1.00 0.00 C ATOM 0 H ALA A 68 -2.170 -1.950 -8.406 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.200 -1.891 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.198 -3.386 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.629 -1.918 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.400 -3.461 -7.139 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.774 -4.593 -7.551 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.056 -5.857 -7.563 1.00 0.00 C ATOM 1116 C GLU A 69 1.453 -5.636 -7.478 1.00 0.00 C ATOM 1117 O GLU A 69 2.158 -6.475 -6.926 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.402 -6.662 -8.815 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.815 -7.236 -8.716 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.170 -8.040 -9.965 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.660 -9.177 -10.079 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.944 -7.514 -10.795 1.00 0.00 O ATOM 0 H GLU A 69 -1.261 -4.367 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.367 -6.423 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.324 -6.025 -9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.316 -7.472 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.891 -7.874 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.532 -6.425 -8.585 1.00 0.00 H new ATOM 1129 N ASP A 70 1.965 -4.520 -8.007 1.00 0.00 N ATOM 1130 CA ASP A 70 3.384 -4.223 -7.874 1.00 0.00 C ATOM 1131 C ASP A 70 3.708 -3.736 -6.463 1.00 0.00 C ATOM 1132 O ASP A 70 4.757 -4.066 -5.908 1.00 0.00 O ATOM 1133 CB ASP A 70 3.778 -3.129 -8.865 1.00 0.00 C ATOM 1134 CG ASP A 70 3.823 -3.629 -10.309 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.924 -4.862 -10.506 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.755 -2.769 -11.214 1.00 0.00 O ATOM 0 H ASP A 70 1.426 -3.823 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 70 3.940 -5.138 -8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.068 -2.305 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.756 -2.732 -8.592 1.00 0.00 H new ATOM 1141 N ALA A 71 2.804 -2.943 -5.877 1.00 0.00 N ATOM 1142 CA ALA A 71 3.032 -2.366 -4.566 1.00 0.00 C ATOM 1143 C ALA A 71 3.204 -3.449 -3.508 1.00 0.00 C ATOM 1144 O ALA A 71 3.975 -3.257 -2.571 1.00 0.00 O ATOM 1145 CB ALA A 71 1.870 -1.439 -4.215 1.00 0.00 C ATOM 0 H ALA A 71 1.910 -2.691 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 71 3.957 -1.790 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.037 -1.003 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.802 -0.644 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.940 -2.008 -4.207 1.00 0.00 H new ATOM 1151 N MET A 72 2.515 -4.586 -3.631 1.00 0.00 N ATOM 1152 CA MET A 72 2.683 -5.650 -2.649 1.00 0.00 C ATOM 1153 C MET A 72 3.839 -6.569 -3.038 1.00 0.00 C ATOM 1154 O MET A 72 4.477 -7.155 -2.170 1.00 0.00 O ATOM 1155 CB MET A 72 1.390 -6.453 -2.493 1.00 0.00 C ATOM 1156 CG MET A 72 1.137 -7.280 -3.746 1.00 0.00 C ATOM 1157 SD MET A 72 -0.440 -8.162 -3.778 1.00 0.00 S ATOM 1158 CE MET A 72 -0.216 -9.038 -5.349 1.00 0.00 C ATOM 0 H MET A 72 1.854 -4.788 -4.381 1.00 0.00 H new ATOM 0 HA MET A 72 2.919 -5.190 -1.690 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.461 -7.107 -1.624 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.552 -5.778 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.185 -6.621 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.943 -8.006 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.178 -9.134 -5.853 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.471 -8.478 -5.983 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.194 -10.030 -5.157 1.00 0.00 H new ATOM 1168 N ASP A 73 4.120 -6.696 -4.340 1.00 0.00 N ATOM 1169 CA ASP A 73 5.205 -7.537 -4.824 1.00 0.00 C ATOM 1170 C ASP A 73 6.569 -6.947 -4.464 1.00 0.00 C ATOM 1171 O ASP A 73 7.590 -7.616 -4.632 1.00 0.00 O ATOM 1172 CB ASP A 73 5.071 -7.701 -6.339 1.00 0.00 C ATOM 1173 CG ASP A 73 6.130 -8.644 -6.903 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.099 -9.838 -6.528 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.963 -8.171 -7.708 1.00 0.00 O ATOM 0 H ASP A 73 3.602 -6.220 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 73 5.138 -8.513 -4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.079 -8.085 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.159 -6.727 -6.819 1.00 0.00 H new ATOM 1180 N ALA A 74 6.600 -5.705 -3.969 1.00 0.00 N ATOM 1181 CA ALA A 74 7.845 -5.041 -3.617 1.00 0.00 C ATOM 1182 C ALA A 74 7.835 -4.398 -2.229 1.00 0.00 C ATOM 1183 O ALA A 74 8.882 -3.940 -1.775 1.00 0.00 O ATOM 1184 CB ALA A 74 8.108 -3.988 -4.683 1.00 0.00 C ATOM 0 H ALA A 74 5.766 -5.141 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 74 8.634 -5.792 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.037 -3.464 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.192 -4.470 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.284 -3.275 -4.701 1.00 0.00 H new ATOM 1190 N MET A 75 6.683 -4.362 -1.550 1.00 0.00 N ATOM 1191 CA MET A 75 6.611 -3.860 -0.178 1.00 0.00 C ATOM 1192 C MET A 75 6.135 -4.916 0.813 1.00 0.00 C ATOM 1193 O MET A 75 6.478 -4.816 1.988 1.00 0.00 O ATOM 1194 CB MET A 75 5.656 -2.671 -0.092 1.00 0.00 C ATOM 1195 CG MET A 75 6.073 -1.479 -0.954 1.00 0.00 C ATOM 1196 SD MET A 75 7.532 -0.586 -0.367 1.00 0.00 S ATOM 1197 CE MET A 75 6.964 1.103 -0.692 1.00 0.00 C ATOM 0 H MET A 75 5.790 -4.675 -1.930 1.00 0.00 H new ATOM 0 HA MET A 75 7.627 -3.566 0.087 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.660 -2.995 -0.394 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.585 -2.349 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.265 -1.832 -1.967 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.237 -0.782 -1.012 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.764 1.671 -1.166 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.098 1.075 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.687 1.581 0.248 1.00 0.00 H new ATOM 1207 N ASP A 76 5.361 -5.925 0.401 1.00 0.00 N ATOM 1208 CA ASP A 76 4.927 -6.919 1.368 1.00 0.00 C ATOM 1209 C ASP A 76 6.132 -7.713 1.874 1.00 0.00 C ATOM 1210 O ASP A 76 6.807 -8.390 1.101 1.00 0.00 O ATOM 1211 CB ASP A 76 3.886 -7.859 0.756 1.00 0.00 C ATOM 1212 CG ASP A 76 3.379 -8.858 1.795 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.126 -8.425 2.944 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.249 -10.053 1.438 1.00 0.00 O ATOM 0 H ASP A 76 5.037 -6.067 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 76 4.462 -6.405 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.050 -7.278 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.324 -8.394 -0.087 1.00 0.00 H new ATOM 1219 N GLY A 77 6.399 -7.625 3.179 1.00 0.00 N ATOM 1220 CA GLY A 77 7.504 -8.333 3.804 1.00 0.00 C ATOM 1221 C GLY A 77 8.838 -7.603 3.630 1.00 0.00 C ATOM 1222 O GLY A 77 9.874 -8.108 4.067 1.00 0.00 O ATOM 0 H GLY A 77 5.851 -7.059 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.297 -8.458 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.581 -9.332 3.375 1.00 0.00 H new ATOM 1226 N ALA A 78 8.828 -6.425 2.998 1.00 0.00 N ATOM 1227 CA ALA A 78 10.019 -5.618 2.796 1.00 0.00 C ATOM 1228 C ALA A 78 10.515 -5.026 4.118 1.00 0.00 C ATOM 1229 O ALA A 78 9.961 -5.305 5.179 1.00 0.00 O ATOM 1230 CB ALA A 78 9.697 -4.512 1.789 1.00 0.00 C ATOM 0 H ALA A 78 7.981 -6.008 2.612 1.00 0.00 H new ATOM 0 HA ALA A 78 10.820 -6.246 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.583 -3.898 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.388 -4.959 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.890 -3.890 2.177 1.00 0.00 H new ATOM 1236 N VAL A 79 11.565 -4.203 4.049 1.00 0.00 N ATOM 1237 CA VAL A 79 12.184 -3.583 5.218 1.00 0.00 C ATOM 1238 C VAL A 79 12.554 -2.140 4.891 1.00 0.00 C ATOM 1239 O VAL A 79 13.408 -1.911 4.038 1.00 0.00 O ATOM 1240 CB VAL A 79 13.439 -4.378 5.608 1.00 0.00 C ATOM 1241 CG1 VAL A 79 14.143 -3.746 6.810 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.101 -5.836 5.931 1.00 0.00 C ATOM 0 H VAL A 79 12.012 -3.947 3.169 1.00 0.00 H new ATOM 0 HA VAL A 79 11.485 -3.588 6.054 1.00 0.00 H new ATOM 0 HB VAL A 79 14.108 -4.353 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.027 -4.331 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.440 -2.727 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.464 -3.729 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.012 -6.369 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.398 -5.871 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.652 -6.308 5.057 1.00 0.00 H new ATOM 1252 N LEU A 80 11.923 -1.163 5.558 1.00 0.00 N ATOM 1253 CA LEU A 80 12.212 0.241 5.286 1.00 0.00 C ATOM 1254 C LEU A 80 13.301 0.822 6.193 1.00 0.00 C ATOM 1255 O LEU A 80 13.885 1.851 5.860 1.00 0.00 O ATOM 1256 CB LEU A 80 10.935 1.082 5.404 1.00 0.00 C ATOM 1257 CG LEU A 80 10.538 1.431 6.846 1.00 0.00 C ATOM 1258 CD1 LEU A 80 9.305 2.328 6.815 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.237 0.192 7.692 1.00 0.00 C ATOM 0 H LEU A 80 11.219 -1.322 6.279 1.00 0.00 H new ATOM 0 HA LEU A 80 12.593 0.282 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.070 2.007 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.113 0.541 4.934 1.00 0.00 H new ATOM 0 HG LEU A 80 11.385 1.940 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.014 2.582 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.533 3.241 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.485 1.803 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.962 0.499 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.413 -0.363 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.122 -0.443 7.734 1.00 0.00 H new ATOM 1271 N ASP A 81 13.576 0.176 7.329 1.00 0.00 N ATOM 1272 CA ASP A 81 14.542 0.698 8.288 1.00 0.00 C ATOM 1273 C ASP A 81 15.099 -0.371 9.234 1.00 0.00 C ATOM 1274 O ASP A 81 16.121 -0.143 9.877 1.00 0.00 O ATOM 1275 CB ASP A 81 13.864 1.801 9.105 1.00 0.00 C ATOM 1276 CG ASP A 81 14.836 2.488 10.061 1.00 0.00 C ATOM 1277 OD1 ASP A 81 15.831 3.062 9.562 1.00 0.00 O ATOM 1278 OD2 ASP A 81 14.574 2.433 11.283 1.00 0.00 O ATOM 0 H ASP A 81 13.143 -0.706 7.603 1.00 0.00 H new ATOM 0 HA ASP A 81 15.392 1.082 7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.437 2.542 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.038 1.374 9.674 1.00 0.00 H new ATOM 1283 N GLY A 82 14.447 -1.535 9.333 1.00 0.00 N ATOM 1284 CA GLY A 82 14.881 -2.607 10.223 1.00 0.00 C ATOM 1285 C GLY A 82 13.711 -3.469 10.696 1.00 0.00 C ATOM 1286 O GLY A 82 13.921 -4.491 11.352 1.00 0.00 O ATOM 0 H GLY A 82 13.607 -1.756 8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.608 -3.234 9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.387 -2.178 11.087 1.00 0.00 H new ATOM 1290 N ARG A 83 12.478 -3.067 10.369 1.00 0.00 N ATOM 1291 CA ARG A 83 11.278 -3.836 10.668 1.00 0.00 C ATOM 1292 C ARG A 83 10.672 -4.347 9.368 1.00 0.00 C ATOM 1293 O ARG A 83 11.367 -4.473 8.365 1.00 0.00 O ATOM 1294 CB ARG A 83 10.286 -3.014 11.497 1.00 0.00 C ATOM 1295 CG ARG A 83 9.620 -1.892 10.698 1.00 0.00 C ATOM 1296 CD ARG A 83 8.463 -1.273 11.483 1.00 0.00 C ATOM 1297 NE ARG A 83 7.473 -2.266 11.911 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.374 -2.786 13.138 1.00 0.00 C ATOM 1299 NH1 ARG A 83 8.229 -2.455 14.101 1.00 0.00 N ATOM 1300 NH2 ARG A 83 6.405 -3.656 13.404 1.00 0.00 N ATOM 0 H ARG A 83 12.290 -2.189 9.885 1.00 0.00 H new ATOM 0 HA ARG A 83 11.540 -4.698 11.281 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.516 -3.676 11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.806 -2.583 12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.356 -1.123 10.461 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.252 -2.285 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.858 -0.759 12.359 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.973 -0.520 10.866 1.00 0.00 H new ATOM 0 HE ARG A 83 6.803 -2.587 11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.980 -1.791 13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.134 -2.865 15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.744 -3.922 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.322 -4.058 14.338 1.00 0.00 H new ATOM 1314 N GLU A 84 9.378 -4.644 9.382 1.00 0.00 N ATOM 1315 CA GLU A 84 8.695 -5.229 8.237 1.00 0.00 C ATOM 1316 C GLU A 84 7.565 -4.322 7.771 1.00 0.00 C ATOM 1317 O GLU A 84 7.097 -3.463 8.517 1.00 0.00 O ATOM 1318 CB GLU A 84 8.141 -6.602 8.625 1.00 0.00 C ATOM 1319 CG GLU A 84 9.276 -7.607 8.810 1.00 0.00 C ATOM 1320 CD GLU A 84 8.722 -8.986 9.157 1.00 0.00 C ATOM 1321 OE1 GLU A 84 8.490 -9.233 10.360 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.532 -9.788 8.216 1.00 0.00 O ATOM 0 H GLU A 84 8.773 -4.486 10.188 1.00 0.00 H new ATOM 0 HA GLU A 84 9.405 -5.341 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.566 -6.521 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.457 -6.956 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.869 -7.667 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.944 -7.268 9.602 1.00 0.00 H new ATOM 1329 N LEU A 85 7.125 -4.525 6.528 1.00 0.00 N ATOM 1330 CA LEU A 85 5.985 -3.829 5.962 1.00 0.00 C ATOM 1331 C LEU A 85 4.936 -4.861 5.562 1.00 0.00 C ATOM 1332 O LEU A 85 5.240 -6.043 5.408 1.00 0.00 O ATOM 1333 CB LEU A 85 6.383 -3.009 4.726 1.00 0.00 C ATOM 1334 CG LEU A 85 7.312 -1.815 4.962 1.00 0.00 C ATOM 1335 CD1 LEU A 85 6.849 -0.969 6.143 1.00 0.00 C ATOM 1336 CD2 LEU A 85 8.753 -2.279 5.133 1.00 0.00 C ATOM 0 H LEU A 85 7.560 -5.186 5.885 1.00 0.00 H new ATOM 0 HA LEU A 85 5.590 -3.141 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.865 -3.679 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.472 -2.643 4.253 1.00 0.00 H new ATOM 0 HG LEU A 85 7.269 -1.177 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.532 -0.131 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.845 -0.591 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.838 -1.580 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.396 -1.415 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.820 -2.951 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.076 -2.803 4.234 1.00 0.00 H new ATOM 1348 N ARG A 86 3.696 -4.404 5.392 1.00 0.00 N ATOM 1349 CA ARG A 86 2.582 -5.253 5.000 1.00 0.00 C ATOM 1350 C ARG A 86 1.727 -4.511 3.994 1.00 0.00 C ATOM 1351 O ARG A 86 1.445 -3.325 4.164 1.00 0.00 O ATOM 1352 CB ARG A 86 1.758 -5.622 6.238 1.00 0.00 C ATOM 1353 CG ARG A 86 2.396 -6.766 7.035 1.00 0.00 C ATOM 1354 CD ARG A 86 2.482 -8.033 6.180 1.00 0.00 C ATOM 1355 NE ARG A 86 3.025 -9.164 6.935 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.615 -10.217 6.360 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.744 -10.294 5.035 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.083 -11.208 7.118 1.00 0.00 N ATOM 0 H ARG A 86 3.439 -3.426 5.525 1.00 0.00 H new ATOM 0 HA ARG A 86 2.953 -6.171 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.656 -4.747 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.753 -5.911 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.393 -6.475 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.808 -6.964 7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.490 -8.288 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.110 -7.842 5.310 1.00 0.00 H new ATOM 0 HE ARG A 86 2.949 -9.148 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.390 -9.542 4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.197 -11.105 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.990 -11.161 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.534 -12.013 6.683 1.00 0.00 H new ATOM 1372 N VAL A 87 1.319 -5.221 2.946 1.00 0.00 N ATOM 1373 CA VAL A 87 0.542 -4.661 1.853 1.00 0.00 C ATOM 1374 C VAL A 87 -0.319 -5.773 1.265 1.00 0.00 C ATOM 1375 O VAL A 87 0.207 -6.772 0.780 1.00 0.00 O ATOM 1376 CB VAL A 87 1.485 -4.123 0.773 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.664 -3.517 -0.362 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.412 -3.049 1.338 1.00 0.00 C ATOM 0 H VAL A 87 1.523 -6.214 2.834 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.084 -3.845 2.215 1.00 0.00 H new ATOM 0 HB VAL A 87 2.090 -4.952 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.334 -3.134 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.018 -4.282 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.053 -2.702 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.070 -2.685 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.817 -2.222 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.011 -3.473 2.144 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.641 -5.605 1.307 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.567 -6.606 0.797 1.00 0.00 C ATOM 1390 C GLN A 88 -3.940 -5.984 0.555 1.00 0.00 C ATOM 1391 O GLN A 88 -4.209 -4.872 1.006 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.685 -7.780 1.784 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.220 -7.363 3.159 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.203 -6.576 3.980 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.041 -6.961 4.081 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.630 -5.464 4.575 1.00 0.00 N ATOM 0 H GLN A 88 -2.094 -4.776 1.693 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.181 -6.983 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.344 -8.538 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.706 -8.242 1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.117 -6.759 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.515 -8.254 3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.602 -5.171 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.986 -4.905 5.134 1.00 0.00 H new ATOM 1405 N MET A 89 -4.811 -6.697 -0.161 1.00 0.00 N ATOM 1406 CA MET A 89 -6.140 -6.206 -0.484 1.00 0.00 C ATOM 1407 C MET A 89 -6.953 -6.000 0.792 1.00 0.00 C ATOM 1408 O MET A 89 -6.790 -6.732 1.768 1.00 0.00 O ATOM 1409 CB MET A 89 -6.832 -7.179 -1.446 1.00 0.00 C ATOM 1410 CG MET A 89 -6.164 -7.133 -2.824 1.00 0.00 C ATOM 1411 SD MET A 89 -4.457 -7.750 -2.895 1.00 0.00 S ATOM 1412 CE MET A 89 -3.969 -7.115 -4.520 1.00 0.00 C ATOM 0 H MET A 89 -4.611 -7.627 -0.529 1.00 0.00 H new ATOM 0 HA MET A 89 -6.060 -5.239 -0.981 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.785 -8.192 -1.046 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.887 -6.921 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.770 -7.713 -3.520 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.173 -6.102 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.913 -6.847 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.137 -7.882 -5.276 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.563 -6.233 -4.760 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.834 -4.994 0.787 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.607 -4.628 1.965 1.00 0.00 C ATOM 1424 C ALA A 90 -9.901 -5.436 2.067 1.00 0.00 C ATOM 1425 O ALA A 90 -10.207 -6.246 1.189 1.00 0.00 O ATOM 1426 CB ALA A 90 -8.913 -3.131 1.923 1.00 0.00 C ATOM 0 H ALA A 90 -8.026 -4.417 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.014 -4.857 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.492 -2.853 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.979 -2.569 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.486 -2.902 1.025 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.664 -5.212 3.145 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.951 -5.861 3.368 1.00 0.00 C ATOM 1434 C ARG A 91 -12.949 -4.886 3.995 1.00 0.00 C ATOM 1435 O ARG A 91 -12.638 -3.710 4.187 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.755 -7.109 4.232 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.309 -6.738 5.650 1.00 0.00 C ATOM 1438 CD ARG A 91 -11.059 -7.984 6.499 1.00 0.00 C ATOM 1439 NE ARG A 91 -12.279 -8.782 6.666 1.00 0.00 N ATOM 1440 CZ ARG A 91 -12.318 -9.980 7.254 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -11.210 -10.533 7.744 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -13.470 -10.636 7.354 1.00 0.00 N ATOM 0 H ARG A 91 -10.398 -4.568 3.890 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.368 -6.172 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.687 -7.673 4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.011 -7.759 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.399 -6.140 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.072 -6.120 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.287 -8.594 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.681 -7.688 7.478 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.154 -8.397 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.320 -10.041 7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.252 -11.449 8.191 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.325 -10.224 6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.498 -11.551 7.803 1.00 0.00 H new ATOM 1456 N TYR A 92 -14.150 -5.377 4.316 1.00 0.00 N ATOM 1457 CA TYR A 92 -15.251 -4.568 4.825 1.00 0.00 C ATOM 1458 C TYR A 92 -15.556 -3.377 3.906 1.00 0.00 C ATOM 1459 O TYR A 92 -15.093 -3.324 2.767 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.949 -4.109 6.260 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.602 -5.218 7.228 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.434 -6.343 7.354 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.444 -5.109 8.013 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.108 -7.364 8.256 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.110 -6.125 8.922 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.941 -7.259 9.043 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.619 -8.257 9.920 1.00 0.00 O ATOM 0 H TYR A 92 -14.384 -6.366 4.226 1.00 0.00 H new ATOM 0 HA TYR A 92 -16.148 -5.187 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -14.121 -3.400 6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.816 -3.571 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.328 -6.421 6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.808 -4.241 7.918 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.748 -8.229 8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.220 -6.039 9.527 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.785 -8.030 10.383 1.00 0.00 H new ATOM 1477 N GLY A 93 -16.338 -2.422 4.416 1.00 0.00 N ATOM 1478 CA GLY A 93 -16.693 -1.206 3.695 1.00 0.00 C ATOM 1479 C GLY A 93 -16.595 0.026 4.596 1.00 0.00 C ATOM 1480 O GLY A 93 -17.141 1.071 4.245 1.00 0.00 O ATOM 0 H GLY A 93 -16.744 -2.476 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.032 -1.084 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.708 -1.295 3.306 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.901 -0.134 5.734 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.579 0.814 6.797 1.00 0.00 C ATOM 1486 C ARG A 94 -16.180 0.301 8.109 1.00 0.00 C ATOM 1487 O ARG A 94 -17.255 -0.302 8.106 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.015 2.245 6.496 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.087 2.839 5.430 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.532 4.249 5.034 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.399 5.175 6.159 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.895 6.410 6.186 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.581 6.897 5.156 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.703 7.168 7.260 1.00 0.00 N ATOM 0 H ARG A 94 -15.506 -1.049 5.951 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.494 0.870 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.047 2.258 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.979 2.848 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.066 2.870 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.081 2.196 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.932 4.602 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.568 4.226 4.697 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.890 4.851 6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.734 6.322 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.954 7.846 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.179 6.802 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.079 8.116 7.289 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.491 0.538 9.233 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.893 0.092 10.551 1.00 0.00 C ATOM 1510 C PRO A 95 -17.182 0.794 10.991 1.00 0.00 C ATOM 1511 O PRO A 95 -17.257 2.023 10.971 1.00 0.00 O ATOM 1512 CB PRO A 95 -14.712 0.432 11.464 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.000 1.576 10.742 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.244 1.262 9.278 1.00 0.00 C ATOM 0 HA PRO A 95 -16.117 -0.974 10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.049 0.735 12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.053 -0.426 11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.411 2.546 11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.936 1.601 10.977 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.301 2.176 8.686 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.430 0.665 8.865 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.203 0.020 11.389 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.504 0.532 11.772 1.00 0.00 C ATOM 1524 C PRO A 96 -19.579 0.985 13.233 1.00 0.00 C ATOM 1525 O PRO A 96 -20.571 1.602 13.621 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.437 -0.663 11.584 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.554 -1.839 11.989 1.00 0.00 C ATOM 1528 CD PRO A 96 -18.183 -1.429 11.453 1.00 0.00 C ATOM 0 HA PRO A 96 -19.753 1.412 11.178 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.325 -0.587 12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.782 -0.750 10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.540 -1.982 13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.898 -2.775 11.548 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.386 -1.781 12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -18.002 -1.862 10.469 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.560 0.692 14.050 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.641 0.955 15.484 1.00 0.00 C ATOM 1538 C ASP A 97 -17.291 1.319 16.102 1.00 0.00 C ATOM 1539 O ASP A 97 -17.116 1.232 17.318 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.258 -0.274 16.163 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.637 -0.008 17.620 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -20.428 0.934 17.852 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.134 -0.750 18.496 1.00 0.00 O ATOM 0 H ASP A 97 -17.680 0.277 13.743 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.272 1.830 15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.145 -0.583 15.611 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.551 -1.102 16.120 1.00 0.00 H new ATOM 1548 N SER A 98 -16.330 1.727 15.275 1.00 0.00 N ATOM 1549 CA SER A 98 -15.017 2.138 15.766 1.00 0.00 C ATOM 1550 C SER A 98 -15.098 3.446 16.548 1.00 0.00 C ATOM 1551 O SER A 98 -14.191 3.752 17.319 1.00 0.00 O ATOM 1552 CB SER A 98 -14.063 2.356 14.596 1.00 0.00 C ATOM 1553 OG SER A 98 -14.696 3.172 13.639 1.00 0.00 O ATOM 0 H SER A 98 -16.436 1.782 14.262 1.00 0.00 H new ATOM 0 HA SER A 98 -14.656 1.343 16.419 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.142 2.826 14.942 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.786 1.400 14.152 1.00 0.00 H new ATOM 0 HG SER A 98 -14.043 3.451 12.964 1.00 0.00 H new