USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ 147:sc= -1.56 (180deg=-0.851) USER MOD Set 1.2: A 122 GLN : amide:sc= -1.49 K(o=-3.1,f=-0.55) USER MOD Set 2.1: A 71 SER OG : rot -111:sc= 0.879 USER MOD Set 2.2: A 75 ASN : amide:sc= 0 X(o=0.88,f=0.62) USER MOD Set 3.1: A 56 THR OG1 : rot -110:sc= -2.17 USER MOD Set 3.2: A 58 GLN : amide:sc= -0.283 K(o=-2.5,f=-1.3) USER MOD Set 4.1: A 35 GLN : amide:sc= -0.0521 K(o=-0.11,f=-1.9) USER MOD Set 4.2: A 38 GLN : amide:sc= -0.053 K(o=-0.11,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -155:sc= -2.86 USER MOD Single : A 12 SER OG : rot -161:sc= -1.17 USER MOD Single : A 13 ASN : amide:sc= -4.37! C(o=-4.4!,f=-11!) USER MOD Single : A 16 HIS : no HD1:sc= -7.56! C(o=-7.6!,f=-6.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0493 K(o=-0.049,f=-0.73) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 138:sc= 1.14 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0463 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.752 USER MOD Single : A 54 THR OG1 : rot 4:sc= 0.389 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -152:sc= -0.314 (180deg=-1.41!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00227 USER MOD Single : A 78 CYS SG : rot 60:sc= -1.11 USER MOD Single : A 87 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.5!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 90 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.8!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 75:sc= 0.178 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HE2:sc= -4.06! C(o=-4.1!,f=-6.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.9!) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.253) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 29:sc= 0.187 USER MOD Single : A 118 THR OG1 : rot -96:sc= 0.781 USER MOD Single : A 119 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.028) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.00975) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.064 -7.758 1.472 1.00 0.00 N ATOM 98 CA PRO A 6 8.861 -6.584 0.641 1.00 0.00 C ATOM 99 C PRO A 6 8.266 -6.969 -0.715 1.00 0.00 C ATOM 100 O PRO A 6 8.525 -8.058 -1.224 1.00 0.00 O ATOM 101 CB PRO A 6 10.234 -5.941 0.526 1.00 0.00 C ATOM 102 CG PRO A 6 11.233 -7.022 0.905 1.00 0.00 C ATOM 103 CD PRO A 6 10.465 -8.155 1.567 1.00 0.00 C ATOM 0 HA PRO A 6 8.143 -5.885 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.413 -5.581 -0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.319 -5.080 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.759 -7.383 0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.987 -6.624 1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.643 -9.103 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.770 -8.286 2.605 1.00 0.00 H new ATOM 111 N LYS A 7 7.480 -6.053 -1.262 1.00 0.00 N ATOM 112 CA LYS A 7 6.846 -6.283 -2.549 1.00 0.00 C ATOM 113 C LYS A 7 6.774 -4.963 -3.320 1.00 0.00 C ATOM 114 O LYS A 7 7.054 -3.901 -2.767 1.00 0.00 O ATOM 115 CB LYS A 7 5.487 -6.961 -2.363 1.00 0.00 C ATOM 116 CG LYS A 7 4.660 -6.250 -1.291 1.00 0.00 C ATOM 117 CD LYS A 7 5.028 -6.751 0.107 1.00 0.00 C ATOM 118 CE LYS A 7 3.789 -7.245 0.857 1.00 0.00 C ATOM 119 NZ LYS A 7 4.160 -7.741 2.201 1.00 0.00 N ATOM 0 H LYS A 7 7.268 -5.150 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 7 7.441 -6.972 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.943 -6.958 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.633 -8.004 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.827 -5.175 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.599 -6.419 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.755 -7.559 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.503 -5.948 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.065 -6.435 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.306 -8.041 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.308 -8.072 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.834 -8.528 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.600 -6.972 2.746 1.00 0.00 H new ATOM 133 N LEU A 8 6.397 -5.074 -4.585 1.00 0.00 N ATOM 134 CA LEU A 8 6.284 -3.903 -5.438 1.00 0.00 C ATOM 135 C LEU A 8 4.808 -3.638 -5.741 1.00 0.00 C ATOM 136 O LEU A 8 4.009 -4.570 -5.818 1.00 0.00 O ATOM 137 CB LEU A 8 7.149 -4.066 -6.689 1.00 0.00 C ATOM 138 CG LEU A 8 8.504 -4.748 -6.484 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.301 -4.061 -5.374 1.00 0.00 C ATOM 140 CD2 LEU A 8 8.330 -6.245 -6.223 1.00 0.00 C ATOM 0 H LEU A 8 6.166 -5.957 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 8 6.668 -3.021 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.584 -4.638 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.323 -3.079 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 8 9.080 -4.647 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.259 -4.565 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.472 -3.018 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.741 -4.110 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.308 -6.706 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.727 -6.390 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.832 -6.707 -7.075 1.00 0.00 H new ATOM 152 N LEU A 9 4.491 -2.362 -5.905 1.00 0.00 N ATOM 153 CA LEU A 9 3.125 -1.962 -6.197 1.00 0.00 C ATOM 154 C LEU A 9 2.933 -1.888 -7.713 1.00 0.00 C ATOM 155 O LEU A 9 3.388 -0.942 -8.355 1.00 0.00 O ATOM 156 CB LEU A 9 2.780 -0.661 -5.470 1.00 0.00 C ATOM 157 CG LEU A 9 2.150 -0.814 -4.084 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.788 -1.974 -3.317 1.00 0.00 C ATOM 159 CD2 LEU A 9 2.222 0.499 -3.301 1.00 0.00 C ATOM 0 H LEU A 9 5.157 -1.592 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 9 2.422 -2.706 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.691 -0.071 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.097 -0.088 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 9 1.095 -1.055 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.322 -2.061 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.642 -2.901 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.855 -1.788 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.767 0.363 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.264 0.794 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.686 1.277 -3.845 1.00 0.00 H new ATOM 171 N TYR A 10 2.260 -2.899 -8.243 1.00 0.00 N ATOM 172 CA TYR A 10 2.003 -2.961 -9.671 1.00 0.00 C ATOM 173 C TYR A 10 0.947 -1.934 -10.083 1.00 0.00 C ATOM 174 O TYR A 10 -0.247 -2.150 -9.879 1.00 0.00 O ATOM 175 CB TYR A 10 1.463 -4.367 -9.942 1.00 0.00 C ATOM 176 CG TYR A 10 1.514 -4.780 -11.414 1.00 0.00 C ATOM 177 CD1 TYR A 10 0.836 -4.041 -12.362 1.00 0.00 C ATOM 178 CD2 TYR A 10 2.237 -5.892 -11.794 1.00 0.00 C ATOM 179 CE1 TYR A 10 0.884 -4.429 -13.748 1.00 0.00 C ATOM 180 CE2 TYR A 10 2.285 -6.281 -13.180 1.00 0.00 C ATOM 181 CZ TYR A 10 1.606 -5.530 -14.089 1.00 0.00 C ATOM 182 OH TYR A 10 1.651 -5.898 -15.397 1.00 0.00 O ATOM 0 H TYR A 10 1.885 -3.682 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 10 2.911 -2.746 -10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.035 -5.084 -9.354 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.431 -4.422 -9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.269 -3.171 -12.064 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.767 -6.471 -11.052 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.359 -3.859 -14.500 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.847 -7.149 -13.491 1.00 0.00 H new ATOM 0 HH TYR A 10 2.204 -6.701 -15.492 1.00 0.00 H new ATOM 192 N CYS A 11 1.424 -0.839 -10.656 1.00 0.00 N ATOM 193 CA CYS A 11 0.536 0.223 -11.098 1.00 0.00 C ATOM 194 C CYS A 11 -0.065 -0.185 -12.445 1.00 0.00 C ATOM 195 O CYS A 11 0.268 0.394 -13.478 1.00 0.00 O ATOM 196 CB CYS A 11 1.259 1.568 -11.180 1.00 0.00 C ATOM 197 SG CYS A 11 0.077 2.887 -11.642 1.00 0.00 S ATOM 0 H CYS A 11 2.415 -0.664 -10.825 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.263 0.359 -10.370 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.720 1.801 -10.220 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.062 1.514 -11.915 1.00 0.00 H new ATOM 0 HG CYS A 11 0.717 3.860 -12.219 1.00 0.00 H new ATOM 203 N SER A 12 -0.942 -1.177 -12.390 1.00 0.00 N ATOM 204 CA SER A 12 -1.592 -1.668 -13.592 1.00 0.00 C ATOM 205 C SER A 12 -1.874 -0.506 -14.547 1.00 0.00 C ATOM 206 O SER A 12 -1.829 -0.674 -15.765 1.00 0.00 O ATOM 207 CB SER A 12 -2.891 -2.404 -13.255 1.00 0.00 C ATOM 208 OG SER A 12 -3.817 -1.565 -12.569 1.00 0.00 O ATOM 0 H SER A 12 -1.217 -1.654 -11.531 1.00 0.00 H new ATOM 0 HA SER A 12 -0.920 -2.375 -14.078 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.347 -2.773 -14.173 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.665 -3.275 -12.639 1.00 0.00 H new ATOM 0 HG SER A 12 -4.487 -2.119 -12.117 1.00 0.00 H new ATOM 214 N ASN A 13 -2.157 0.646 -13.958 1.00 0.00 N ATOM 215 CA ASN A 13 -2.445 1.836 -14.741 1.00 0.00 C ATOM 216 C ASN A 13 -1.492 1.898 -15.936 1.00 0.00 C ATOM 217 O ASN A 13 -1.927 2.076 -17.073 1.00 0.00 O ATOM 218 CB ASN A 13 -2.245 3.105 -13.910 1.00 0.00 C ATOM 219 CG ASN A 13 -3.363 4.115 -14.174 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.524 3.771 -14.321 1.00 0.00 O ATOM 221 ND2 ASN A 13 -2.949 5.378 -14.224 1.00 0.00 N ATOM 0 H ASN A 13 -2.193 0.781 -12.948 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.483 1.780 -15.069 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.223 2.850 -12.850 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.281 3.553 -14.150 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.619 6.128 -14.394 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.961 5.597 -14.092 1.00 0.00 H new ATOM 228 N GLY A 14 -0.210 1.748 -15.638 1.00 0.00 N ATOM 229 CA GLY A 14 0.809 1.785 -16.674 1.00 0.00 C ATOM 230 C GLY A 14 1.912 0.762 -16.394 1.00 0.00 C ATOM 231 O GLY A 14 2.975 0.807 -17.011 1.00 0.00 O ATOM 0 H GLY A 14 0.147 1.601 -14.694 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.355 1.580 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.240 2.784 -16.729 1.00 0.00 H new ATOM 235 N GLY A 15 1.621 -0.135 -15.465 1.00 0.00 N ATOM 236 CA GLY A 15 2.575 -1.167 -15.096 1.00 0.00 C ATOM 237 C GLY A 15 3.896 -0.551 -14.630 1.00 0.00 C ATOM 238 O GLY A 15 4.786 -0.295 -15.440 1.00 0.00 O ATOM 0 H GLY A 15 0.738 -0.169 -14.956 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.158 -1.786 -14.301 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.756 -1.822 -15.948 1.00 0.00 H new ATOM 242 N HIS A 16 3.983 -0.331 -13.327 1.00 0.00 N ATOM 243 CA HIS A 16 5.180 0.250 -12.743 1.00 0.00 C ATOM 244 C HIS A 16 5.240 -0.088 -11.252 1.00 0.00 C ATOM 245 O HIS A 16 4.228 -0.442 -10.651 1.00 0.00 O ATOM 246 CB HIS A 16 5.241 1.754 -13.013 1.00 0.00 C ATOM 247 CG HIS A 16 5.184 2.118 -14.478 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.053 2.646 -15.076 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.130 2.026 -15.456 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.317 2.857 -16.357 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.604 2.472 -16.591 1.00 0.00 N ATOM 0 H HIS A 16 3.243 -0.545 -12.658 1.00 0.00 H new ATOM 0 HA HIS A 16 6.064 -0.181 -13.213 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.413 2.239 -12.496 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.161 2.152 -12.586 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.136 1.654 -15.329 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.633 3.263 -17.088 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.084 2.519 -17.490 1.00 0.00 H new ATOM 259 N PHE A 17 6.438 0.033 -10.699 1.00 0.00 N ATOM 260 CA PHE A 17 6.644 -0.255 -9.290 1.00 0.00 C ATOM 261 C PHE A 17 6.916 1.028 -8.502 1.00 0.00 C ATOM 262 O PHE A 17 7.595 1.929 -8.991 1.00 0.00 O ATOM 263 CB PHE A 17 7.869 -1.167 -9.194 1.00 0.00 C ATOM 264 CG PHE A 17 7.620 -2.596 -9.680 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.497 -3.260 -9.295 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.521 -3.203 -10.498 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.266 -4.586 -9.747 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.290 -4.529 -10.950 1.00 0.00 C ATOM 269 CZ PHE A 17 7.167 -5.193 -10.564 1.00 0.00 C ATOM 0 H PHE A 17 7.276 0.327 -11.201 1.00 0.00 H new ATOM 0 HA PHE A 17 5.753 -0.724 -8.872 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.680 -0.732 -9.778 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.204 -1.200 -8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.781 -2.779 -8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.413 -2.676 -10.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.374 -5.113 -9.442 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.006 -5.010 -11.600 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.991 -6.202 -10.907 1.00 0.00 H new ATOM 279 N LEU A 18 6.371 1.070 -7.295 1.00 0.00 N ATOM 280 CA LEU A 18 6.546 2.228 -6.434 1.00 0.00 C ATOM 281 C LEU A 18 7.927 2.165 -5.777 1.00 0.00 C ATOM 282 O LEU A 18 8.188 1.288 -4.956 1.00 0.00 O ATOM 283 CB LEU A 18 5.393 2.331 -5.434 1.00 0.00 C ATOM 284 CG LEU A 18 5.229 3.683 -4.737 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.555 4.699 -5.663 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.480 3.530 -3.412 1.00 0.00 C ATOM 0 H LEU A 18 5.808 0.321 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 18 6.512 3.147 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.464 2.098 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.531 1.565 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 18 6.221 4.069 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.450 5.651 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.165 4.838 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.570 4.332 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.377 4.506 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.491 3.112 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.037 2.863 -2.754 1.00 0.00 H new ATOM 298 N ARG A 19 8.774 3.108 -6.164 1.00 0.00 N ATOM 299 CA ARG A 19 10.121 3.171 -5.622 1.00 0.00 C ATOM 300 C ARG A 19 10.327 4.484 -4.864 1.00 0.00 C ATOM 301 O ARG A 19 9.695 5.491 -5.177 1.00 0.00 O ATOM 302 CB ARG A 19 11.167 3.061 -6.734 1.00 0.00 C ATOM 303 CG ARG A 19 11.510 4.440 -7.301 1.00 0.00 C ATOM 304 CD ARG A 19 12.153 4.320 -8.684 1.00 0.00 C ATOM 305 NE ARG A 19 13.623 4.448 -8.572 1.00 0.00 N ATOM 306 CZ ARG A 19 14.425 4.815 -9.581 1.00 0.00 C ATOM 307 NH1 ARG A 19 13.903 5.092 -10.784 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.748 4.904 -9.388 1.00 0.00 N ATOM 0 H ARG A 19 8.554 3.834 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 19 10.244 2.331 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.069 2.589 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.790 2.419 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.606 5.045 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.190 4.957 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.896 3.360 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.762 5.094 -9.344 1.00 0.00 H new ATOM 0 HE ARG A 19 14.053 4.244 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.896 5.023 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.513 5.371 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.145 4.692 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.358 5.183 -10.156 1.00 0.00 H new ATOM 322 N ILE A 20 11.215 4.430 -3.882 1.00 0.00 N ATOM 323 CA ILE A 20 11.513 5.602 -3.078 1.00 0.00 C ATOM 324 C ILE A 20 13.018 5.874 -3.118 1.00 0.00 C ATOM 325 O ILE A 20 13.813 5.056 -2.657 1.00 0.00 O ATOM 326 CB ILE A 20 10.956 5.436 -1.662 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.580 4.766 -1.690 1.00 0.00 C ATOM 328 CG2 ILE A 20 10.927 6.776 -0.924 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.941 4.769 -0.300 1.00 0.00 C ATOM 0 H ILE A 20 11.738 3.592 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 20 11.019 6.482 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 20 11.624 4.777 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.931 5.288 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.678 3.741 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.527 6.630 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.939 7.176 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.295 7.477 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.964 4.287 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.580 4.225 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.822 5.797 0.044 1.00 0.00 H new ATOM 341 N LEU A 21 13.364 7.027 -3.673 1.00 0.00 N ATOM 342 CA LEU A 21 14.760 7.417 -3.779 1.00 0.00 C ATOM 343 C LEU A 21 15.242 7.942 -2.426 1.00 0.00 C ATOM 344 O LEU A 21 14.438 8.371 -1.600 1.00 0.00 O ATOM 345 CB LEU A 21 14.953 8.408 -4.928 1.00 0.00 C ATOM 346 CG LEU A 21 14.291 8.033 -6.256 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.526 9.116 -7.311 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.760 6.657 -6.733 1.00 0.00 C ATOM 0 H LEU A 21 12.702 7.703 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 21 15.379 6.555 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.567 9.378 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.022 8.531 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 21 13.215 7.969 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.045 8.825 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.104 10.059 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.597 9.237 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.275 6.415 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.841 6.669 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.499 5.905 -5.988 1.00 0.00 H new ATOM 360 N PRO A 22 16.588 7.890 -2.236 1.00 0.00 N ATOM 361 CA PRO A 22 17.187 8.356 -0.997 1.00 0.00 C ATOM 362 C PRO A 22 17.203 9.884 -0.936 1.00 0.00 C ATOM 363 O PRO A 22 17.605 10.465 0.071 1.00 0.00 O ATOM 364 CB PRO A 22 18.580 7.746 -0.980 1.00 0.00 C ATOM 365 CG PRO A 22 18.877 7.347 -2.416 1.00 0.00 C ATOM 366 CD PRO A 22 17.571 7.388 -3.191 1.00 0.00 C ATOM 0 HA PRO A 22 16.622 8.051 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.316 8.462 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.620 6.881 -0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.605 8.027 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.311 6.348 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.647 8.041 -4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.297 6.399 -3.558 1.00 0.00 H new ATOM 374 N ASP A 23 16.761 10.493 -2.026 1.00 0.00 N ATOM 375 CA ASP A 23 16.719 11.943 -2.110 1.00 0.00 C ATOM 376 C ASP A 23 15.315 12.430 -1.745 1.00 0.00 C ATOM 377 O ASP A 23 15.014 13.616 -1.871 1.00 0.00 O ATOM 378 CB ASP A 23 17.032 12.422 -3.528 1.00 0.00 C ATOM 379 CG ASP A 23 18.465 12.913 -3.744 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.773 14.009 -3.228 1.00 0.00 O ATOM 381 OD2 ASP A 23 19.220 12.181 -4.419 1.00 0.00 O ATOM 0 H ASP A 23 16.428 10.008 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 23 17.464 12.342 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.835 11.605 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.345 13.229 -3.782 1.00 0.00 H new ATOM 386 N GLY A 24 14.494 11.490 -1.300 1.00 0.00 N ATOM 387 CA GLY A 24 13.130 11.809 -0.916 1.00 0.00 C ATOM 388 C GLY A 24 12.243 11.998 -2.148 1.00 0.00 C ATOM 389 O GLY A 24 11.486 12.964 -2.231 1.00 0.00 O ATOM 0 H GLY A 24 14.748 10.507 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.728 11.010 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.121 12.718 -0.314 1.00 0.00 H new ATOM 393 N THR A 25 12.366 11.059 -3.075 1.00 0.00 N ATOM 394 CA THR A 25 11.586 11.110 -4.300 1.00 0.00 C ATOM 395 C THR A 25 10.833 9.794 -4.507 1.00 0.00 C ATOM 396 O THR A 25 11.317 8.730 -4.123 1.00 0.00 O ATOM 397 CB THR A 25 12.533 11.456 -5.450 1.00 0.00 C ATOM 398 OG1 THR A 25 12.580 12.880 -5.445 1.00 0.00 O ATOM 399 CG2 THR A 25 11.943 11.108 -6.819 1.00 0.00 C ATOM 0 H THR A 25 12.994 10.259 -3.002 1.00 0.00 H new ATOM 0 HA THR A 25 10.819 11.883 -4.249 1.00 0.00 H new ATOM 0 HB THR A 25 13.476 10.926 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.174 13.190 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.655 11.374 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.736 10.039 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.017 11.664 -6.968 1.00 0.00 H new ATOM 407 N VAL A 26 9.661 9.909 -5.113 1.00 0.00 N ATOM 408 CA VAL A 26 8.836 8.742 -5.376 1.00 0.00 C ATOM 409 C VAL A 26 8.394 8.754 -6.841 1.00 0.00 C ATOM 410 O VAL A 26 7.744 9.697 -7.289 1.00 0.00 O ATOM 411 CB VAL A 26 7.661 8.700 -4.398 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.032 7.306 -4.355 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.095 9.149 -3.001 1.00 0.00 C ATOM 0 H VAL A 26 9.263 10.793 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 26 9.407 7.828 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 26 6.903 9.398 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.199 7.304 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.669 7.040 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.779 6.580 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.241 9.110 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.879 8.487 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.474 10.170 -3.048 1.00 0.00 H new ATOM 423 N ASP A 27 8.766 7.696 -7.547 1.00 0.00 N ATOM 424 CA ASP A 27 8.415 7.574 -8.952 1.00 0.00 C ATOM 425 C ASP A 27 8.220 6.096 -9.298 1.00 0.00 C ATOM 426 O ASP A 27 8.680 5.219 -8.569 1.00 0.00 O ATOM 427 CB ASP A 27 9.527 8.126 -9.847 1.00 0.00 C ATOM 428 CG ASP A 27 10.409 9.194 -9.198 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.943 10.352 -9.132 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.530 8.829 -8.782 1.00 0.00 O ATOM 0 H ASP A 27 9.306 6.916 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 27 7.500 8.141 -9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.160 7.298 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.075 8.546 -10.745 1.00 0.00 H new ATOM 435 N GLY A 28 7.538 5.867 -10.410 1.00 0.00 N ATOM 436 CA GLY A 28 7.276 4.511 -10.861 1.00 0.00 C ATOM 437 C GLY A 28 8.395 4.012 -11.778 1.00 0.00 C ATOM 438 O GLY A 28 9.070 4.808 -12.429 1.00 0.00 O ATOM 0 H GLY A 28 7.159 6.598 -11.012 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.184 3.849 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.324 4.478 -11.391 1.00 0.00 H new ATOM 442 N THR A 29 8.558 2.697 -11.800 1.00 0.00 N ATOM 443 CA THR A 29 9.583 2.084 -12.626 1.00 0.00 C ATOM 444 C THR A 29 9.293 0.594 -12.817 1.00 0.00 C ATOM 445 O THR A 29 9.135 -0.141 -11.843 1.00 0.00 O ATOM 446 CB THR A 29 10.941 2.360 -11.978 1.00 0.00 C ATOM 447 OG1 THR A 29 11.867 2.264 -13.056 1.00 0.00 O ATOM 448 CG2 THR A 29 11.370 1.248 -11.018 1.00 0.00 C ATOM 0 H THR A 29 7.997 2.039 -11.259 1.00 0.00 H new ATOM 0 HA THR A 29 9.592 2.513 -13.628 1.00 0.00 H new ATOM 0 HB THR A 29 10.899 3.307 -11.440 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.774 2.431 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.340 1.494 -10.586 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.632 1.150 -10.221 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.444 0.306 -11.562 1.00 0.00 H new ATOM 456 N ARG A 30 9.232 0.192 -14.078 1.00 0.00 N ATOM 457 CA ARG A 30 8.964 -1.197 -14.409 1.00 0.00 C ATOM 458 C ARG A 30 10.270 -1.931 -14.716 1.00 0.00 C ATOM 459 O ARG A 30 10.411 -2.536 -15.778 1.00 0.00 O ATOM 460 CB ARG A 30 8.029 -1.306 -15.615 1.00 0.00 C ATOM 461 CG ARG A 30 7.041 -2.460 -15.441 1.00 0.00 C ATOM 462 CD ARG A 30 6.777 -3.162 -16.775 1.00 0.00 C ATOM 463 NE ARG A 30 6.670 -4.623 -16.566 1.00 0.00 N ATOM 464 CZ ARG A 30 6.724 -5.529 -17.553 1.00 0.00 C ATOM 465 NH1 ARG A 30 6.882 -5.129 -18.822 1.00 0.00 N ATOM 466 NH2 ARG A 30 6.618 -6.834 -17.270 1.00 0.00 N ATOM 0 H ARG A 30 9.364 0.804 -14.883 1.00 0.00 H new ATOM 0 HA ARG A 30 8.480 -1.656 -13.547 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.483 -0.371 -15.742 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.615 -1.458 -16.521 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.436 -3.176 -14.721 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.103 -2.082 -15.033 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.857 -2.782 -17.220 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.583 -2.945 -17.475 1.00 0.00 H new ATOM 0 HE ARG A 30 6.548 -4.962 -15.612 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.961 -4.135 -19.037 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.923 -5.818 -19.573 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.496 -7.138 -16.304 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.659 -7.524 -18.020 1.00 0.00 H new ATOM 480 N ASP A 31 11.193 -1.854 -13.768 1.00 0.00 N ATOM 481 CA ASP A 31 12.483 -2.504 -13.925 1.00 0.00 C ATOM 482 C ASP A 31 12.937 -3.058 -12.573 1.00 0.00 C ATOM 483 O ASP A 31 13.668 -2.394 -11.840 1.00 0.00 O ATOM 484 CB ASP A 31 13.543 -1.513 -14.410 1.00 0.00 C ATOM 485 CG ASP A 31 14.584 -2.098 -15.367 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.180 -2.461 -16.493 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.761 -2.168 -14.951 1.00 0.00 O ATOM 0 H ASP A 31 11.073 -1.351 -12.889 1.00 0.00 H new ATOM 0 HA ASP A 31 12.372 -3.302 -14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.042 -0.682 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.059 -1.102 -13.542 1.00 0.00 H new ATOM 492 N ARG A 32 12.487 -4.270 -12.285 1.00 0.00 N ATOM 493 CA ARG A 32 12.838 -4.921 -11.034 1.00 0.00 C ATOM 494 C ARG A 32 14.311 -4.676 -10.703 1.00 0.00 C ATOM 495 O ARG A 32 14.657 -4.417 -9.552 1.00 0.00 O ATOM 496 CB ARG A 32 12.583 -6.428 -11.108 1.00 0.00 C ATOM 497 CG ARG A 32 11.164 -6.768 -10.646 1.00 0.00 C ATOM 498 CD ARG A 32 10.370 -7.443 -11.767 1.00 0.00 C ATOM 499 NE ARG A 32 10.152 -8.870 -11.444 1.00 0.00 N ATOM 500 CZ ARG A 32 9.446 -9.714 -12.208 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.884 -9.279 -13.344 1.00 0.00 N ATOM 502 NH2 ARG A 32 9.301 -10.993 -11.836 1.00 0.00 N ATOM 0 H ARG A 32 11.882 -4.819 -12.896 1.00 0.00 H new ATOM 0 HA ARG A 32 12.211 -4.495 -10.251 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.729 -6.775 -12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.307 -6.954 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.208 -7.427 -9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.653 -5.859 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.412 -6.941 -11.898 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.909 -7.353 -12.710 1.00 0.00 H new ATOM 0 HE ARG A 32 10.565 -9.234 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.994 -8.305 -13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.346 -9.922 -13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.728 -11.324 -10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.763 -11.636 -12.418 1.00 0.00 H new ATOM 516 N SER A 33 15.139 -4.765 -11.734 1.00 0.00 N ATOM 517 CA SER A 33 16.567 -4.556 -11.567 1.00 0.00 C ATOM 518 C SER A 33 16.818 -3.491 -10.497 1.00 0.00 C ATOM 519 O SER A 33 17.773 -3.592 -9.728 1.00 0.00 O ATOM 520 CB SER A 33 17.222 -4.147 -12.888 1.00 0.00 C ATOM 521 OG SER A 33 18.493 -4.765 -13.068 1.00 0.00 O ATOM 0 H SER A 33 14.848 -4.979 -12.688 1.00 0.00 H new ATOM 0 HA SER A 33 17.016 -5.496 -11.247 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.567 -4.417 -13.716 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.339 -3.064 -12.914 1.00 0.00 H new ATOM 0 HG SER A 33 18.877 -4.480 -13.923 1.00 0.00 H new ATOM 527 N ASP A 34 15.945 -2.495 -10.483 1.00 0.00 N ATOM 528 CA ASP A 34 16.061 -1.412 -9.521 1.00 0.00 C ATOM 529 C ASP A 34 16.034 -1.990 -8.105 1.00 0.00 C ATOM 530 O ASP A 34 15.178 -2.812 -7.782 1.00 0.00 O ATOM 531 CB ASP A 34 14.894 -0.431 -9.654 1.00 0.00 C ATOM 532 CG ASP A 34 15.298 1.021 -9.916 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.263 1.470 -9.260 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.632 1.650 -10.767 1.00 0.00 O ATOM 0 H ASP A 34 15.154 -2.415 -11.122 1.00 0.00 H new ATOM 0 HA ASP A 34 16.997 -0.887 -9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.249 -0.765 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.301 -0.468 -8.740 1.00 0.00 H new ATOM 539 N GLN A 35 16.981 -1.536 -7.297 1.00 0.00 N ATOM 540 CA GLN A 35 17.076 -1.998 -5.922 1.00 0.00 C ATOM 541 C GLN A 35 16.548 -0.928 -4.965 1.00 0.00 C ATOM 542 O GLN A 35 16.879 -0.931 -3.780 1.00 0.00 O ATOM 543 CB GLN A 35 18.515 -2.385 -5.573 1.00 0.00 C ATOM 544 CG GLN A 35 18.976 -3.587 -6.399 1.00 0.00 C ATOM 545 CD GLN A 35 18.744 -4.895 -5.640 1.00 0.00 C ATOM 546 OE1 GLN A 35 17.819 -5.033 -4.857 1.00 0.00 O ATOM 547 NE2 GLN A 35 19.634 -5.845 -5.916 1.00 0.00 N ATOM 0 H GLN A 35 17.689 -0.853 -7.568 1.00 0.00 H new ATOM 0 HA GLN A 35 16.458 -2.890 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.177 -1.539 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.584 -2.621 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.436 -3.611 -7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.034 -3.484 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 35 20.384 -5.663 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 35 19.566 -6.755 -5.461 1.00 0.00 H new ATOM 556 N HIS A 36 15.736 -0.037 -5.514 1.00 0.00 N ATOM 557 CA HIS A 36 15.158 1.037 -4.724 1.00 0.00 C ATOM 558 C HIS A 36 13.632 0.944 -4.768 1.00 0.00 C ATOM 559 O HIS A 36 12.938 1.888 -4.396 1.00 0.00 O ATOM 560 CB HIS A 36 15.683 2.397 -5.190 1.00 0.00 C ATOM 561 CG HIS A 36 17.163 2.594 -4.964 1.00 0.00 C ATOM 562 ND1 HIS A 36 18.127 1.832 -5.600 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.833 3.475 -4.167 1.00 0.00 C ATOM 564 CE1 HIS A 36 19.320 2.244 -5.196 1.00 0.00 C ATOM 565 NE2 HIS A 36 19.135 3.262 -4.307 1.00 0.00 N ATOM 0 H HIS A 36 15.464 -0.037 -6.497 1.00 0.00 H new ATOM 0 HA HIS A 36 15.463 0.932 -3.683 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.470 2.513 -6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.138 3.184 -4.668 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.380 4.220 -3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.271 1.844 -5.515 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.876 3.775 -3.829 1.00 0.00 H new ATOM 573 N ILE A 37 13.154 -0.203 -5.227 1.00 0.00 N ATOM 574 CA ILE A 37 11.723 -0.433 -5.325 1.00 0.00 C ATOM 575 C ILE A 37 11.274 -1.328 -4.169 1.00 0.00 C ATOM 576 O ILE A 37 10.175 -1.162 -3.641 1.00 0.00 O ATOM 577 CB ILE A 37 11.362 -0.984 -6.706 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.200 -2.220 -7.040 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.487 0.100 -7.779 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.545 -3.042 -8.152 1.00 0.00 C ATOM 0 H ILE A 37 13.733 -0.984 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 37 11.179 0.507 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 37 10.319 -1.298 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.199 -1.914 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.317 -2.836 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.225 -0.318 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.813 0.924 -7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.513 0.468 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.161 -3.915 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.556 -3.367 -7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.451 -2.431 -9.049 1.00 0.00 H new ATOM 592 N GLN A 38 12.146 -2.259 -3.810 1.00 0.00 N ATOM 593 CA GLN A 38 11.853 -3.181 -2.726 1.00 0.00 C ATOM 594 C GLN A 38 11.300 -2.422 -1.519 1.00 0.00 C ATOM 595 O GLN A 38 12.061 -1.872 -0.724 1.00 0.00 O ATOM 596 CB GLN A 38 13.095 -3.989 -2.344 1.00 0.00 C ATOM 597 CG GLN A 38 13.275 -5.190 -3.275 1.00 0.00 C ATOM 598 CD GLN A 38 14.580 -5.929 -2.970 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.671 -5.448 -3.229 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.408 -7.121 -2.406 1.00 0.00 N ATOM 0 H GLN A 38 13.056 -2.394 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 38 11.093 -3.884 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.977 -3.351 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.007 -4.333 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.432 -5.872 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.277 -4.854 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.466 -7.464 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.218 -7.692 -2.163 1.00 0.00 H new ATOM 609 N LEU A 39 9.979 -2.416 -1.418 1.00 0.00 N ATOM 610 CA LEU A 39 9.314 -1.734 -0.321 1.00 0.00 C ATOM 611 C LEU A 39 8.830 -2.767 0.698 1.00 0.00 C ATOM 612 O LEU A 39 8.457 -3.880 0.329 1.00 0.00 O ATOM 613 CB LEU A 39 8.204 -0.824 -0.850 1.00 0.00 C ATOM 614 CG LEU A 39 8.648 0.547 -1.364 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.441 1.405 -1.748 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.550 1.248 -0.347 1.00 0.00 C ATOM 0 H LEU A 39 9.351 -2.873 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 39 10.012 -1.077 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.690 -1.344 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.475 -0.673 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 39 9.238 0.399 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.784 2.374 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.874 0.904 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.804 1.548 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.851 2.220 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.007 1.385 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.436 0.639 -0.166 1.00 0.00 H new ATOM 628 N GLN A 40 8.851 -2.363 1.959 1.00 0.00 N ATOM 629 CA GLN A 40 8.418 -3.240 3.034 1.00 0.00 C ATOM 630 C GLN A 40 7.047 -2.804 3.555 1.00 0.00 C ATOM 631 O GLN A 40 6.888 -1.681 4.031 1.00 0.00 O ATOM 632 CB GLN A 40 9.449 -3.272 4.164 1.00 0.00 C ATOM 633 CG GLN A 40 10.091 -4.656 4.281 1.00 0.00 C ATOM 634 CD GLN A 40 9.524 -5.424 5.476 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.524 -6.118 5.384 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.215 -5.262 6.601 1.00 0.00 N ATOM 0 H GLN A 40 9.161 -1.439 2.261 1.00 0.00 H new ATOM 0 HA GLN A 40 8.330 -4.252 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.220 -2.524 3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.969 -3.009 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.916 -5.221 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.171 -4.552 4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.043 -4.667 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.917 -5.733 7.455 1.00 0.00 H new ATOM 645 N LEU A 41 6.092 -3.716 3.449 1.00 0.00 N ATOM 646 CA LEU A 41 4.740 -3.440 3.903 1.00 0.00 C ATOM 647 C LEU A 41 4.538 -4.051 5.291 1.00 0.00 C ATOM 648 O LEU A 41 4.946 -5.185 5.539 1.00 0.00 O ATOM 649 CB LEU A 41 3.719 -3.916 2.868 1.00 0.00 C ATOM 650 CG LEU A 41 3.461 -2.967 1.695 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.961 -3.572 0.382 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.984 -2.576 1.620 1.00 0.00 C ATOM 0 H LEU A 41 6.228 -4.647 3.055 1.00 0.00 H new ATOM 0 HA LEU A 41 4.583 -2.366 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.055 -4.873 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.773 -4.098 3.377 1.00 0.00 H new ATOM 0 HG LEU A 41 4.027 -2.051 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.766 -2.878 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.033 -3.758 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.441 -4.511 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.828 -1.901 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.377 -3.471 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.693 -2.076 2.544 1.00 0.00 H new ATOM 664 N SER A 42 3.910 -3.273 6.160 1.00 0.00 N ATOM 665 CA SER A 42 3.650 -3.723 7.517 1.00 0.00 C ATOM 666 C SER A 42 2.230 -3.335 7.934 1.00 0.00 C ATOM 667 O SER A 42 1.635 -2.427 7.355 1.00 0.00 O ATOM 668 CB SER A 42 4.669 -3.139 8.497 1.00 0.00 C ATOM 669 OG SER A 42 6.001 -3.228 7.997 1.00 0.00 O ATOM 0 H SER A 42 3.573 -2.333 5.951 1.00 0.00 H new ATOM 0 HA SER A 42 3.745 -4.809 7.541 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.425 -2.095 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.602 -3.668 9.448 1.00 0.00 H new ATOM 0 HG SER A 42 6.622 -2.844 8.650 1.00 0.00 H new ATOM 675 N ALA A 43 1.727 -4.043 8.935 1.00 0.00 N ATOM 676 CA ALA A 43 0.388 -3.783 9.436 1.00 0.00 C ATOM 677 C ALA A 43 0.461 -3.454 10.928 1.00 0.00 C ATOM 678 O ALA A 43 0.994 -4.236 11.715 1.00 0.00 O ATOM 679 CB ALA A 43 -0.508 -4.990 9.148 1.00 0.00 C ATOM 0 H ALA A 43 2.222 -4.796 9.412 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.051 -2.923 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.513 -4.795 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.550 -5.164 8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.100 -5.872 9.642 1.00 0.00 H new ATOM 685 N GLU A 44 -0.081 -2.296 11.274 1.00 0.00 N ATOM 686 CA GLU A 44 -0.084 -1.854 12.658 1.00 0.00 C ATOM 687 C GLU A 44 -1.477 -2.023 13.267 1.00 0.00 C ATOM 688 O GLU A 44 -1.627 -2.637 14.323 1.00 0.00 O ATOM 689 CB GLU A 44 0.392 -0.404 12.771 1.00 0.00 C ATOM 690 CG GLU A 44 1.624 -0.161 11.898 1.00 0.00 C ATOM 691 CD GLU A 44 2.451 -1.440 11.748 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.824 -2.000 12.801 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.691 -1.827 10.585 1.00 0.00 O ATOM 0 H GLU A 44 -0.522 -1.650 10.619 1.00 0.00 H new ATOM 0 HA GLU A 44 0.614 -2.476 13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.410 0.270 12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.628 -0.175 13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.313 0.193 10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.238 0.624 12.340 1.00 0.00 H new ATOM 700 N SER A 45 -2.462 -1.469 12.575 1.00 0.00 N ATOM 701 CA SER A 45 -3.838 -1.551 13.034 1.00 0.00 C ATOM 702 C SER A 45 -4.734 -2.078 11.911 1.00 0.00 C ATOM 703 O SER A 45 -4.346 -2.063 10.744 1.00 0.00 O ATOM 704 CB SER A 45 -4.339 -0.189 13.519 1.00 0.00 C ATOM 705 OG SER A 45 -3.308 0.795 13.505 1.00 0.00 O ATOM 0 H SER A 45 -2.334 -0.961 11.700 1.00 0.00 H new ATOM 0 HA SER A 45 -3.877 -2.243 13.876 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.163 0.140 12.886 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.733 -0.287 14.531 1.00 0.00 H new ATOM 0 HG SER A 45 -3.665 1.638 13.154 1.00 0.00 H new ATOM 711 N VAL A 46 -5.915 -2.531 12.303 1.00 0.00 N ATOM 712 CA VAL A 46 -6.870 -3.061 11.344 1.00 0.00 C ATOM 713 C VAL A 46 -7.183 -1.989 10.298 1.00 0.00 C ATOM 714 O VAL A 46 -7.630 -0.895 10.639 1.00 0.00 O ATOM 715 CB VAL A 46 -8.116 -3.568 12.072 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.739 -2.463 12.928 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.135 -4.136 11.083 1.00 0.00 C ATOM 0 H VAL A 46 -6.233 -2.542 13.272 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.448 -3.917 10.817 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.810 -4.375 12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.623 -2.850 13.435 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.015 -2.125 13.669 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.023 -1.626 12.291 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.011 -4.490 11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.433 -3.358 10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.688 -4.966 10.536 1.00 0.00 H new ATOM 727 N GLY A 47 -6.935 -2.342 9.045 1.00 0.00 N ATOM 728 CA GLY A 47 -7.185 -1.424 7.946 1.00 0.00 C ATOM 729 C GLY A 47 -6.065 -0.389 7.831 1.00 0.00 C ATOM 730 O GLY A 47 -6.229 0.638 7.173 1.00 0.00 O ATOM 0 H GLY A 47 -6.564 -3.250 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.267 -1.982 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.138 -0.918 8.100 1.00 0.00 H new ATOM 734 N GLU A 48 -4.951 -0.694 8.480 1.00 0.00 N ATOM 735 CA GLU A 48 -3.804 0.197 8.458 1.00 0.00 C ATOM 736 C GLU A 48 -2.549 -0.563 8.021 1.00 0.00 C ATOM 737 O GLU A 48 -2.281 -1.659 8.511 1.00 0.00 O ATOM 738 CB GLU A 48 -3.597 0.858 9.823 1.00 0.00 C ATOM 739 CG GLU A 48 -4.755 1.799 10.157 1.00 0.00 C ATOM 740 CD GLU A 48 -4.268 3.001 10.969 1.00 0.00 C ATOM 741 OE1 GLU A 48 -3.968 2.793 12.165 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.207 4.100 10.377 1.00 0.00 O ATOM 0 H GLU A 48 -4.818 -1.546 9.025 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.997 0.988 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.513 0.091 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.660 1.414 9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.225 2.144 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.516 1.259 10.720 1.00 0.00 H new ATOM 749 N VAL A 49 -1.815 0.049 7.104 1.00 0.00 N ATOM 750 CA VAL A 49 -0.596 -0.556 6.595 1.00 0.00 C ATOM 751 C VAL A 49 0.467 0.529 6.408 1.00 0.00 C ATOM 752 O VAL A 49 0.143 1.672 6.092 1.00 0.00 O ATOM 753 CB VAL A 49 -0.893 -1.331 5.310 1.00 0.00 C ATOM 754 CG1 VAL A 49 -2.074 -2.283 5.504 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.144 -0.376 4.140 1.00 0.00 C ATOM 0 H VAL A 49 -2.041 0.958 6.700 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.201 -1.278 7.309 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.016 -1.932 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.264 -2.821 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.841 -2.995 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.960 -1.712 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.353 -0.952 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.997 0.263 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.261 0.242 3.979 1.00 0.00 H new ATOM 765 N TYR A 50 1.714 0.131 6.611 1.00 0.00 N ATOM 766 CA TYR A 50 2.827 1.055 6.469 1.00 0.00 C ATOM 767 C TYR A 50 3.744 0.636 5.318 1.00 0.00 C ATOM 768 O TYR A 50 3.929 -0.554 5.069 1.00 0.00 O ATOM 769 CB TYR A 50 3.609 0.980 7.781 1.00 0.00 C ATOM 770 CG TYR A 50 3.238 2.069 8.790 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.014 3.361 8.360 1.00 0.00 C ATOM 772 CD2 TYR A 50 3.128 1.759 10.130 1.00 0.00 C ATOM 773 CE1 TYR A 50 2.665 4.386 9.309 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.779 2.784 11.080 1.00 0.00 C ATOM 775 CZ TYR A 50 2.564 4.047 10.622 1.00 0.00 C ATOM 776 OH TYR A 50 2.235 5.015 11.519 1.00 0.00 O ATOM 0 H TYR A 50 1.979 -0.819 6.873 1.00 0.00 H new ATOM 0 HA TYR A 50 2.465 2.061 6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.441 0.004 8.237 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.674 1.050 7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.101 3.603 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.304 0.748 10.467 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.487 5.401 8.985 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.690 2.555 12.132 1.00 0.00 H new ATOM 0 HH TYR A 50 2.198 4.628 12.419 1.00 0.00 H new ATOM 786 N ILE A 51 4.293 1.638 4.646 1.00 0.00 N ATOM 787 CA ILE A 51 5.186 1.388 3.528 1.00 0.00 C ATOM 788 C ILE A 51 6.502 2.136 3.754 1.00 0.00 C ATOM 789 O ILE A 51 6.530 3.365 3.746 1.00 0.00 O ATOM 790 CB ILE A 51 4.500 1.737 2.206 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.055 1.233 2.188 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.305 1.213 1.015 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.393 1.514 0.837 1.00 0.00 C ATOM 0 H ILE A 51 4.136 2.624 4.855 1.00 0.00 H new ATOM 0 HA ILE A 51 5.429 0.327 3.465 1.00 0.00 H new ATOM 0 HB ILE A 51 4.463 2.823 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.037 0.162 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.487 1.717 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.795 1.475 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.298 1.661 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.396 0.129 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.367 1.146 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.391 2.588 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.949 1.009 0.047 1.00 0.00 H new ATOM 805 N LYS A 52 7.559 1.362 3.951 1.00 0.00 N ATOM 806 CA LYS A 52 8.874 1.935 4.179 1.00 0.00 C ATOM 807 C LYS A 52 9.893 1.239 3.275 1.00 0.00 C ATOM 808 O LYS A 52 9.804 0.034 3.045 1.00 0.00 O ATOM 809 CB LYS A 52 9.232 1.880 5.666 1.00 0.00 C ATOM 810 CG LYS A 52 10.738 2.052 5.874 1.00 0.00 C ATOM 811 CD LYS A 52 11.422 0.698 6.072 1.00 0.00 C ATOM 812 CE LYS A 52 12.647 0.830 6.979 1.00 0.00 C ATOM 813 NZ LYS A 52 12.570 -0.135 8.098 1.00 0.00 N ATOM 0 H LYS A 52 7.531 0.342 3.957 1.00 0.00 H new ATOM 0 HA LYS A 52 8.880 2.992 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.695 2.663 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.910 0.927 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.172 2.560 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.919 2.685 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.717 -0.009 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.723 0.294 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.555 0.655 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.709 1.845 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.409 -0.032 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.714 0.051 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.533 -1.103 7.720 1.00 0.00 H new ATOM 827 N SER A 53 10.839 2.028 2.786 1.00 0.00 N ATOM 828 CA SER A 53 11.875 1.502 1.913 1.00 0.00 C ATOM 829 C SER A 53 12.937 0.775 2.739 1.00 0.00 C ATOM 830 O SER A 53 13.354 1.263 3.788 1.00 0.00 O ATOM 831 CB SER A 53 12.517 2.619 1.086 1.00 0.00 C ATOM 832 OG SER A 53 12.731 2.225 -0.267 1.00 0.00 O ATOM 0 H SER A 53 10.910 3.027 2.978 1.00 0.00 H new ATOM 0 HA SER A 53 11.415 0.795 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.878 3.501 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.468 2.902 1.536 1.00 0.00 H new ATOM 0 HG SER A 53 13.140 2.965 -0.762 1.00 0.00 H new ATOM 838 N THR A 54 13.345 -0.380 2.234 1.00 0.00 N ATOM 839 CA THR A 54 14.351 -1.179 2.912 1.00 0.00 C ATOM 840 C THR A 54 15.741 -0.875 2.351 1.00 0.00 C ATOM 841 O THR A 54 16.668 -1.668 2.514 1.00 0.00 O ATOM 842 CB THR A 54 13.952 -2.651 2.783 1.00 0.00 C ATOM 843 OG1 THR A 54 13.959 -2.890 1.378 1.00 0.00 O ATOM 844 CG2 THR A 54 12.501 -2.903 3.196 1.00 0.00 C ATOM 0 H THR A 54 12.997 -0.781 1.363 1.00 0.00 H new ATOM 0 HA THR A 54 14.402 -0.933 3.973 1.00 0.00 H new ATOM 0 HB THR A 54 14.615 -3.262 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.271 -2.087 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.270 -3.962 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.362 -2.608 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.835 -2.318 2.561 1.00 0.00 H new ATOM 852 N GLU A 55 15.843 0.275 1.701 1.00 0.00 N ATOM 853 CA GLU A 55 17.105 0.694 1.114 1.00 0.00 C ATOM 854 C GLU A 55 17.649 1.923 1.846 1.00 0.00 C ATOM 855 O GLU A 55 18.715 1.865 2.457 1.00 0.00 O ATOM 856 CB GLU A 55 16.949 0.972 -0.382 1.00 0.00 C ATOM 857 CG GLU A 55 15.480 0.892 -0.804 1.00 0.00 C ATOM 858 CD GLU A 55 15.010 -0.562 -0.879 1.00 0.00 C ATOM 859 OE1 GLU A 55 15.419 -1.242 -1.845 1.00 0.00 O ATOM 860 OE2 GLU A 55 14.251 -0.961 0.031 1.00 0.00 O ATOM 0 H GLU A 55 15.072 0.930 1.568 1.00 0.00 H new ATOM 0 HA GLU A 55 17.822 -0.119 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.345 1.960 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.535 0.251 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.863 1.441 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.350 1.371 -1.775 1.00 0.00 H new ATOM 867 N THR A 56 16.891 3.006 1.761 1.00 0.00 N ATOM 868 CA THR A 56 17.283 4.247 2.407 1.00 0.00 C ATOM 869 C THR A 56 16.766 4.284 3.847 1.00 0.00 C ATOM 870 O THR A 56 17.509 4.620 4.768 1.00 0.00 O ATOM 871 CB THR A 56 16.776 5.408 1.550 1.00 0.00 C ATOM 872 OG1 THR A 56 15.379 5.460 1.826 1.00 0.00 O ATOM 873 CG2 THR A 56 16.848 5.104 0.052 1.00 0.00 C ATOM 0 H THR A 56 16.007 3.050 1.254 1.00 0.00 H new ATOM 0 HA THR A 56 18.367 4.329 2.481 1.00 0.00 H new ATOM 0 HB THR A 56 17.360 6.302 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.878 5.169 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.477 5.960 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.882 4.905 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.237 4.230 -0.172 1.00 0.00 H new ATOM 881 N GLY A 57 15.497 3.935 3.996 1.00 0.00 N ATOM 882 CA GLY A 57 14.872 3.925 5.308 1.00 0.00 C ATOM 883 C GLY A 57 13.881 5.082 5.452 1.00 0.00 C ATOM 884 O GLY A 57 13.787 5.694 6.515 1.00 0.00 O ATOM 0 H GLY A 57 14.884 3.657 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.355 2.978 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.638 3.999 6.080 1.00 0.00 H new ATOM 888 N GLN A 58 13.168 5.347 4.368 1.00 0.00 N ATOM 889 CA GLN A 58 12.188 6.420 4.360 1.00 0.00 C ATOM 890 C GLN A 58 10.773 5.846 4.256 1.00 0.00 C ATOM 891 O GLN A 58 10.558 4.835 3.589 1.00 0.00 O ATOM 892 CB GLN A 58 12.464 7.407 3.225 1.00 0.00 C ATOM 893 CG GLN A 58 13.957 7.731 3.131 1.00 0.00 C ATOM 894 CD GLN A 58 14.310 8.290 1.751 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.886 9.357 1.615 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.935 7.512 0.740 1.00 0.00 N ATOM 0 H GLN A 58 13.249 4.837 3.488 1.00 0.00 H new ATOM 0 HA GLN A 58 12.269 6.966 5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.119 6.986 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.899 8.324 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.225 8.455 3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.541 6.831 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.456 6.631 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.126 7.797 -0.221 1.00 0.00 H new ATOM 905 N TYR A 59 9.846 6.515 4.925 1.00 0.00 N ATOM 906 CA TYR A 59 8.459 6.084 4.915 1.00 0.00 C ATOM 907 C TYR A 59 7.673 6.789 3.807 1.00 0.00 C ATOM 908 O TYR A 59 7.862 7.981 3.570 1.00 0.00 O ATOM 909 CB TYR A 59 7.881 6.492 6.272 1.00 0.00 C ATOM 910 CG TYR A 59 8.758 6.103 7.464 1.00 0.00 C ATOM 911 CD1 TYR A 59 9.592 5.007 7.378 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.714 6.847 8.625 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.418 4.640 8.499 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.540 6.481 9.747 1.00 0.00 C ATOM 915 CZ TYR A 59 10.351 5.395 9.629 1.00 0.00 C ATOM 916 OH TYR A 59 11.130 5.049 10.688 1.00 0.00 O ATOM 0 H TYR A 59 10.028 7.353 5.478 1.00 0.00 H new ATOM 0 HA TYR A 59 8.392 5.011 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.731 7.572 6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.900 6.032 6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.625 4.424 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.060 7.704 8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.076 3.785 8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.516 7.056 10.661 1.00 0.00 H new ATOM 0 HH TYR A 59 10.979 5.678 11.424 1.00 0.00 H new ATOM 926 N LEU A 60 6.809 6.022 3.159 1.00 0.00 N ATOM 927 CA LEU A 60 5.994 6.559 2.082 1.00 0.00 C ATOM 928 C LEU A 60 4.848 7.380 2.676 1.00 0.00 C ATOM 929 O LEU A 60 4.001 6.846 3.389 1.00 0.00 O ATOM 930 CB LEU A 60 5.529 5.436 1.152 1.00 0.00 C ATOM 931 CG LEU A 60 4.659 5.863 -0.032 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.521 6.233 -1.240 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.628 4.784 -0.371 1.00 0.00 C ATOM 0 H LEU A 60 6.655 5.034 3.359 1.00 0.00 H new ATOM 0 HA LEU A 60 6.581 7.235 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.410 4.924 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.972 4.709 1.743 1.00 0.00 H new ATOM 0 HG LEU A 60 4.106 6.758 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.878 6.533 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.182 7.059 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.118 5.371 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.022 5.112 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.142 3.858 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.984 4.612 0.492 1.00 0.00 H new ATOM 945 N ALA A 61 4.859 8.667 2.358 1.00 0.00 N ATOM 946 CA ALA A 61 3.831 9.568 2.852 1.00 0.00 C ATOM 947 C ALA A 61 3.421 10.527 1.733 1.00 0.00 C ATOM 948 O ALA A 61 4.225 10.848 0.859 1.00 0.00 O ATOM 949 CB ALA A 61 4.348 10.302 4.090 1.00 0.00 C ATOM 0 H ALA A 61 5.563 9.107 1.765 1.00 0.00 H new ATOM 0 HA ALA A 61 2.943 9.012 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.577 10.978 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.598 9.577 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.238 10.875 3.828 1.00 0.00 H new ATOM 955 N MET A 62 2.170 10.960 1.797 1.00 0.00 N ATOM 956 CA MET A 62 1.643 11.876 0.800 1.00 0.00 C ATOM 957 C MET A 62 1.547 13.297 1.359 1.00 0.00 C ATOM 958 O MET A 62 0.856 13.533 2.349 1.00 0.00 O ATOM 959 CB MET A 62 0.256 11.407 0.357 1.00 0.00 C ATOM 960 CG MET A 62 -0.335 12.355 -0.688 1.00 0.00 C ATOM 961 SD MET A 62 -1.846 11.671 -1.348 1.00 0.00 S ATOM 962 CE MET A 62 -1.198 10.223 -2.168 1.00 0.00 C ATOM 0 H MET A 62 1.506 10.693 2.524 1.00 0.00 H new ATOM 0 HA MET A 62 2.322 11.885 -0.053 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.323 10.401 -0.056 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.407 11.353 1.221 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.533 13.328 -0.238 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.383 12.516 -1.492 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.843 9.961 -3.007 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.193 10.432 -2.535 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.162 9.392 -1.464 1.00 0.00 H new ATOM 972 N ASP A 63 2.250 14.207 0.700 1.00 0.00 N ATOM 973 CA ASP A 63 2.252 15.598 1.119 1.00 0.00 C ATOM 974 C ASP A 63 0.895 16.226 0.795 1.00 0.00 C ATOM 975 O ASP A 63 0.006 15.556 0.271 1.00 0.00 O ATOM 976 CB ASP A 63 3.329 16.394 0.379 1.00 0.00 C ATOM 977 CG ASP A 63 3.385 16.158 -1.132 1.00 0.00 C ATOM 978 OD1 ASP A 63 2.293 16.101 -1.738 1.00 0.00 O ATOM 979 OD2 ASP A 63 4.518 16.039 -1.646 1.00 0.00 O ATOM 0 H ASP A 63 2.822 14.008 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 63 2.453 15.627 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.163 17.456 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.301 16.146 0.806 1.00 0.00 H new ATOM 984 N THR A 64 0.777 17.505 1.123 1.00 0.00 N ATOM 985 CA THR A 64 -0.457 18.230 0.874 1.00 0.00 C ATOM 986 C THR A 64 -0.555 18.626 -0.601 1.00 0.00 C ATOM 987 O THR A 64 -1.577 19.151 -1.040 1.00 0.00 O ATOM 988 CB THR A 64 -0.504 19.425 1.828 1.00 0.00 C ATOM 989 OG1 THR A 64 0.540 20.278 1.367 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.082 19.055 3.251 1.00 0.00 C ATOM 0 H THR A 64 1.516 18.057 1.559 1.00 0.00 H new ATOM 0 HA THR A 64 -1.329 17.605 1.069 1.00 0.00 H new ATOM 0 HB THR A 64 -1.513 19.837 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.579 21.080 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.133 19.939 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.751 18.288 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.939 18.674 3.240 1.00 0.00 H new ATOM 998 N ASP A 65 0.522 18.359 -1.325 1.00 0.00 N ATOM 999 CA ASP A 65 0.570 18.680 -2.741 1.00 0.00 C ATOM 1000 C ASP A 65 -0.052 17.534 -3.542 1.00 0.00 C ATOM 1001 O ASP A 65 -0.391 17.702 -4.712 1.00 0.00 O ATOM 1002 CB ASP A 65 2.013 18.860 -3.216 1.00 0.00 C ATOM 1003 CG ASP A 65 2.743 20.069 -2.626 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.690 20.213 -1.386 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.336 20.821 -3.429 1.00 0.00 O ATOM 0 H ASP A 65 1.368 17.924 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 65 0.021 19.609 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.576 17.959 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.013 18.949 -4.302 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.182 16.395 -2.879 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.757 15.221 -3.514 1.00 0.00 C ATOM 1012 C GLY A 66 0.337 14.263 -3.989 1.00 0.00 C ATOM 1013 O GLY A 66 0.050 13.135 -4.387 1.00 0.00 O ATOM 0 H GLY A 66 0.101 16.260 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.414 14.708 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.371 15.526 -4.361 1.00 0.00 H new ATOM 1017 N LEU A 67 1.569 14.748 -3.933 1.00 0.00 N ATOM 1018 CA LEU A 67 2.707 13.949 -4.353 1.00 0.00 C ATOM 1019 C LEU A 67 3.197 13.108 -3.173 1.00 0.00 C ATOM 1020 O LEU A 67 2.942 13.443 -2.018 1.00 0.00 O ATOM 1021 CB LEU A 67 3.790 14.840 -4.964 1.00 0.00 C ATOM 1022 CG LEU A 67 3.391 15.615 -6.222 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.161 14.989 -6.883 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.182 17.098 -5.910 1.00 0.00 C ATOM 0 H LEU A 67 1.804 15.684 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 67 2.415 13.255 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.113 15.555 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.652 14.218 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 67 4.210 15.550 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.898 15.558 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.383 13.959 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.325 15.003 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.899 17.625 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.391 17.206 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.107 17.521 -5.518 1.00 0.00 H new ATOM 1036 N LEU A 68 3.893 12.030 -3.505 1.00 0.00 N ATOM 1037 CA LEU A 68 4.421 11.137 -2.487 1.00 0.00 C ATOM 1038 C LEU A 68 5.879 11.502 -2.202 1.00 0.00 C ATOM 1039 O LEU A 68 6.614 11.891 -3.109 1.00 0.00 O ATOM 1040 CB LEU A 68 4.221 9.677 -2.898 1.00 0.00 C ATOM 1041 CG LEU A 68 2.771 9.225 -3.083 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.656 8.202 -4.215 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.191 8.695 -1.770 1.00 0.00 C ATOM 0 H LEU A 68 4.103 11.755 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 68 3.873 11.258 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.756 9.507 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.686 9.041 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 68 2.176 10.092 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.615 7.897 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.004 8.649 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.267 7.330 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.160 8.380 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.781 7.845 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.218 9.482 -1.016 1.00 0.00 H new ATOM 1055 N TYR A 69 6.255 11.363 -0.939 1.00 0.00 N ATOM 1056 CA TYR A 69 7.612 11.673 -0.524 1.00 0.00 C ATOM 1057 C TYR A 69 8.006 10.862 0.712 1.00 0.00 C ATOM 1058 O TYR A 69 7.143 10.353 1.426 1.00 0.00 O ATOM 1059 CB TYR A 69 7.615 13.160 -0.165 1.00 0.00 C ATOM 1060 CG TYR A 69 7.039 13.467 1.219 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.726 13.084 2.353 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.832 14.127 1.334 1.00 0.00 C ATOM 1063 CE1 TYR A 69 7.184 13.373 3.655 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.290 14.416 2.636 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.993 14.025 3.733 1.00 0.00 C ATOM 1066 OH TYR A 69 5.481 14.297 4.963 1.00 0.00 O ATOM 0 H TYR A 69 5.643 11.040 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 69 8.320 11.433 -1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.638 13.533 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.042 13.706 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.670 12.567 2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.294 14.427 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.712 13.079 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.347 14.932 2.739 1.00 0.00 H new ATOM 0 HH TYR A 69 4.627 14.767 4.865 1.00 0.00 H new ATOM 1076 N GLY A 70 9.310 10.766 0.927 1.00 0.00 N ATOM 1077 CA GLY A 70 9.829 10.025 2.065 1.00 0.00 C ATOM 1078 C GLY A 70 9.960 10.928 3.293 1.00 0.00 C ATOM 1079 O GLY A 70 10.648 11.947 3.249 1.00 0.00 O ATOM 0 H GLY A 70 10.023 11.189 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.167 9.190 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.802 9.602 1.815 1.00 0.00 H new ATOM 1083 N SER A 71 9.289 10.521 4.361 1.00 0.00 N ATOM 1084 CA SER A 71 9.321 11.280 5.599 1.00 0.00 C ATOM 1085 C SER A 71 10.526 10.856 6.442 1.00 0.00 C ATOM 1086 O SER A 71 10.850 9.671 6.516 1.00 0.00 O ATOM 1087 CB SER A 71 8.027 11.095 6.393 1.00 0.00 C ATOM 1088 OG SER A 71 7.898 12.057 7.436 1.00 0.00 O ATOM 0 H SER A 71 8.720 9.675 4.394 1.00 0.00 H new ATOM 0 HA SER A 71 9.414 12.337 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.174 11.174 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.004 10.092 6.820 1.00 0.00 H new ATOM 0 HG SER A 71 7.985 11.611 8.305 1.00 0.00 H new ATOM 1094 N GLN A 72 11.157 11.846 7.055 1.00 0.00 N ATOM 1095 CA GLN A 72 12.319 11.590 7.889 1.00 0.00 C ATOM 1096 C GLN A 72 11.902 10.876 9.176 1.00 0.00 C ATOM 1097 O GLN A 72 12.641 10.040 9.694 1.00 0.00 O ATOM 1098 CB GLN A 72 13.067 12.888 8.200 1.00 0.00 C ATOM 1099 CG GLN A 72 14.501 12.600 8.650 1.00 0.00 C ATOM 1100 CD GLN A 72 15.491 13.545 7.966 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.544 14.733 8.238 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.269 12.953 7.064 1.00 0.00 N ATOM 0 H GLN A 72 10.886 12.827 6.991 1.00 0.00 H new ATOM 0 HA GLN A 72 13.000 10.939 7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.081 13.525 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.540 13.437 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.576 12.711 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.759 11.567 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.173 11.954 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.962 13.499 6.552 1.00 0.00 H new ATOM 1111 N THR A 73 10.718 11.230 9.655 1.00 0.00 N ATOM 1112 CA THR A 73 10.194 10.634 10.871 1.00 0.00 C ATOM 1113 C THR A 73 8.849 9.958 10.597 1.00 0.00 C ATOM 1114 O THR A 73 8.172 10.287 9.623 1.00 0.00 O ATOM 1115 CB THR A 73 10.119 11.726 11.940 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.612 12.860 11.241 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.501 12.171 12.420 1.00 0.00 C ATOM 0 H THR A 73 10.107 11.923 9.222 1.00 0.00 H new ATOM 0 HA THR A 73 10.850 9.845 11.239 1.00 0.00 H new ATOM 0 HB THR A 73 9.540 11.364 12.789 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.530 13.616 11.860 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.391 12.947 13.178 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.029 11.319 12.847 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.069 12.565 11.577 1.00 0.00 H new ATOM 1125 N PRO A 74 8.492 9.002 11.496 1.00 0.00 N ATOM 1126 CA PRO A 74 7.239 8.278 11.360 1.00 0.00 C ATOM 1127 C PRO A 74 6.053 9.153 11.768 1.00 0.00 C ATOM 1128 O PRO A 74 5.903 9.496 12.940 1.00 0.00 O ATOM 1129 CB PRO A 74 7.399 7.048 12.239 1.00 0.00 C ATOM 1130 CG PRO A 74 8.542 7.361 13.191 1.00 0.00 C ATOM 1131 CD PRO A 74 9.268 8.587 12.661 1.00 0.00 C ATOM 0 HA PRO A 74 7.028 7.991 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.481 6.838 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.621 6.166 11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.162 7.547 14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.224 6.514 13.260 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.310 9.377 13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.297 8.351 12.388 1.00 0.00 H new ATOM 1139 N ASN A 75 5.240 9.491 10.778 1.00 0.00 N ATOM 1140 CA ASN A 75 4.071 10.320 11.018 1.00 0.00 C ATOM 1141 C ASN A 75 2.832 9.624 10.453 1.00 0.00 C ATOM 1142 O ASN A 75 2.935 8.817 9.530 1.00 0.00 O ATOM 1143 CB ASN A 75 4.207 11.678 10.327 1.00 0.00 C ATOM 1144 CG ASN A 75 5.187 12.580 11.079 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.107 12.760 12.283 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.114 13.136 10.304 1.00 0.00 N ATOM 0 H ASN A 75 5.368 9.206 9.807 1.00 0.00 H new ATOM 0 HA ASN A 75 3.980 10.470 12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.551 11.536 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.232 12.161 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.815 13.755 10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.124 12.943 9.302 1.00 0.00 H new ATOM 1153 N GLU A 76 1.688 9.960 11.030 1.00 0.00 N ATOM 1154 CA GLU A 76 0.430 9.377 10.595 1.00 0.00 C ATOM 1155 C GLU A 76 0.308 9.455 9.071 1.00 0.00 C ATOM 1156 O GLU A 76 -0.421 8.673 8.463 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.757 10.063 11.276 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.079 9.398 12.616 1.00 0.00 C ATOM 1159 CD GLU A 76 -1.988 10.288 13.465 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -1.436 11.184 14.139 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -3.215 10.052 13.420 1.00 0.00 O ATOM 0 H GLU A 76 1.606 10.629 11.796 1.00 0.00 H new ATOM 0 HA GLU A 76 0.418 8.327 10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.531 11.117 11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.630 10.019 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.564 8.437 12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.155 9.195 13.157 1.00 0.00 H new ATOM 1168 N GLU A 77 1.031 10.406 8.500 1.00 0.00 N ATOM 1169 CA GLU A 77 1.013 10.597 7.059 1.00 0.00 C ATOM 1170 C GLU A 77 1.609 9.376 6.355 1.00 0.00 C ATOM 1171 O GLU A 77 1.309 9.119 5.190 1.00 0.00 O ATOM 1172 CB GLU A 77 1.757 11.874 6.665 1.00 0.00 C ATOM 1173 CG GLU A 77 0.818 13.082 6.682 1.00 0.00 C ATOM 1174 CD GLU A 77 1.388 14.232 5.849 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.449 14.060 4.612 1.00 0.00 O ATOM 1176 OE2 GLU A 77 1.750 15.256 6.467 1.00 0.00 O ATOM 0 H GLU A 77 1.633 11.053 9.009 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.023 10.707 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.586 12.043 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.187 11.757 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.158 12.794 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.665 13.413 7.709 1.00 0.00 H new ATOM 1183 N CYS A 78 2.443 8.656 7.092 1.00 0.00 N ATOM 1184 CA CYS A 78 3.084 7.469 6.552 1.00 0.00 C ATOM 1185 C CYS A 78 2.107 6.298 6.676 1.00 0.00 C ATOM 1186 O CYS A 78 2.285 5.267 6.029 1.00 0.00 O ATOM 1187 CB CYS A 78 4.415 7.179 7.249 1.00 0.00 C ATOM 1188 SG CYS A 78 5.448 8.689 7.279 1.00 0.00 S ATOM 0 H CYS A 78 2.689 8.872 8.058 1.00 0.00 H new ATOM 0 HA CYS A 78 3.327 7.629 5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.234 6.832 8.266 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.941 6.379 6.728 1.00 0.00 H new ATOM 0 HG CYS A 78 4.823 9.630 7.922 1.00 0.00 H new ATOM 1194 N LEU A 79 1.098 6.496 7.510 1.00 0.00 N ATOM 1195 CA LEU A 79 0.093 5.469 7.727 1.00 0.00 C ATOM 1196 C LEU A 79 -1.012 5.614 6.679 1.00 0.00 C ATOM 1197 O LEU A 79 -1.549 6.704 6.484 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.417 5.514 9.169 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.143 4.261 9.663 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.548 2.999 9.034 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.143 4.194 11.191 1.00 0.00 C ATOM 0 H LEU A 79 0.954 7.353 8.044 1.00 0.00 H new ATOM 0 HA LEU A 79 0.527 4.478 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.431 5.702 9.828 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.092 6.364 9.268 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.183 4.321 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.082 2.123 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.643 3.053 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.506 2.921 9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.665 3.294 11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.116 4.168 11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.648 5.072 11.594 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.319 4.500 6.031 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.350 4.489 5.008 1.00 0.00 C ATOM 1215 C PHE A 80 -3.368 3.376 5.266 1.00 0.00 C ATOM 1216 O PHE A 80 -3.111 2.466 6.053 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.653 4.226 3.672 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.876 5.427 3.128 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.192 5.914 3.814 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.255 6.007 1.957 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.912 7.028 3.309 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.535 7.122 1.452 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.534 7.609 2.139 1.00 0.00 C ATOM 0 H PHE A 80 -0.871 3.598 6.195 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.883 5.440 5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.968 3.387 3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.400 3.926 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.493 5.453 4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.103 5.620 1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.760 7.414 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.836 7.583 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.082 8.457 1.755 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.502 3.486 4.589 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.559 2.500 4.736 1.00 0.00 C ATOM 1235 C LEU A 81 -5.572 1.586 3.508 1.00 0.00 C ATOM 1236 O LEU A 81 -5.550 2.063 2.375 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.899 3.187 5.005 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.904 4.233 6.123 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -6.033 3.783 7.298 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.485 5.605 5.591 1.00 0.00 C ATOM 0 H LEU A 81 -4.712 4.242 3.938 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.372 1.867 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.230 3.667 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.635 2.421 5.248 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.923 4.330 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.054 4.544 8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.417 2.844 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.007 3.641 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.497 6.330 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.479 5.542 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.180 5.921 4.813 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.609 0.289 3.776 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.626 -0.695 2.708 1.00 0.00 C ATOM 1254 C GLU A 82 -6.999 -1.366 2.625 1.00 0.00 C ATOM 1255 O GLU A 82 -7.654 -1.575 3.645 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.519 -1.734 2.901 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.684 -2.900 1.925 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.391 -4.080 2.595 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.637 -4.020 2.681 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.671 -5.015 3.005 1.00 0.00 O ATOM 0 H GLU A 82 -5.628 -0.103 4.718 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.437 -0.181 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.546 -1.266 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.540 -2.107 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.257 -2.574 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.706 -3.216 1.562 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.393 -1.685 1.401 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.676 -2.328 1.172 1.00 0.00 C ATOM 1269 C ARG A 83 -8.592 -3.267 -0.032 1.00 0.00 C ATOM 1270 O ARG A 83 -7.657 -3.180 -0.827 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.775 -1.292 0.927 1.00 0.00 C ATOM 1272 CG ARG A 83 -11.106 -1.751 1.527 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.270 -1.429 0.589 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.484 -2.158 1.020 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.716 -1.909 0.555 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.904 -0.947 -0.359 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.759 -2.620 1.003 1.00 0.00 N ATOM 0 H ARG A 83 -6.847 -1.510 0.558 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.924 -2.900 2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.484 -0.338 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.892 -1.128 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.073 -2.824 1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.263 -1.262 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.461 -0.356 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.012 -1.707 -0.433 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.376 -2.897 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.110 -0.405 -0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.841 -0.757 -0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.616 -3.352 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.696 -2.429 0.648 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.581 -4.143 -0.130 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.631 -5.097 -1.224 1.00 0.00 C ATOM 1293 C LEU A 84 -10.659 -4.629 -2.257 1.00 0.00 C ATOM 1294 O LEU A 84 -11.806 -4.350 -1.913 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.891 -6.508 -0.694 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.306 -7.654 -1.522 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -9.721 -7.538 -2.989 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -7.787 -7.728 -1.360 1.00 0.00 C ATOM 0 H LEU A 84 -10.355 -4.212 0.531 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.667 -5.145 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.489 -6.575 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.969 -6.654 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.716 -8.591 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.292 -8.365 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.808 -7.573 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.360 -6.594 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.397 -8.551 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.339 -6.792 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.541 -7.894 -0.311 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.210 -4.558 -3.502 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.076 -4.129 -4.586 1.00 0.00 C ATOM 1312 C GLU A 85 -11.637 -5.343 -5.330 1.00 0.00 C ATOM 1313 O GLU A 85 -11.132 -6.455 -5.179 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.334 -3.195 -5.544 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.083 -1.832 -4.895 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.001 -0.763 -5.493 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -11.325 -0.900 -6.692 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -11.357 0.166 -4.737 1.00 0.00 O ATOM 0 H GLU A 85 -9.258 -4.791 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.910 -3.571 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.384 -3.645 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.917 -3.066 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.251 -1.901 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.042 -1.543 -5.038 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.673 -5.089 -6.115 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.307 -6.148 -6.883 1.00 0.00 C ATOM 1327 C GLU A 86 -12.633 -6.291 -8.248 1.00 0.00 C ATOM 1328 O GLU A 86 -13.306 -6.489 -9.259 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.808 -5.890 -7.036 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.536 -6.079 -5.704 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.832 -6.869 -5.895 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.790 -7.851 -6.667 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.836 -6.472 -5.265 1.00 0.00 O ATOM 0 H GLU A 86 -13.090 -4.166 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.186 -7.086 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.971 -4.877 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.223 -6.569 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.887 -6.602 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.760 -5.106 -5.267 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.312 -6.185 -8.235 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.540 -6.300 -9.460 1.00 0.00 C ATOM 1342 C ASN A 87 -9.224 -7.022 -9.162 1.00 0.00 C ATOM 1343 O ASN A 87 -8.269 -6.923 -9.931 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.204 -4.921 -10.031 1.00 0.00 C ATOM 1345 CG ASN A 87 -11.239 -4.492 -11.073 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -12.225 -5.167 -11.320 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.961 -3.336 -11.667 1.00 0.00 N ATOM 0 H ASN A 87 -10.757 -6.021 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.137 -6.854 -10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.169 -4.188 -9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.213 -4.943 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.591 -2.963 -12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.118 -2.822 -11.412 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.215 -7.732 -8.043 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.032 -8.470 -7.634 1.00 0.00 C ATOM 1356 C HIS A 88 -6.878 -7.495 -7.393 1.00 0.00 C ATOM 1357 O HIS A 88 -5.712 -7.887 -7.433 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.689 -9.555 -8.656 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.414 -10.909 -8.045 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -6.252 -11.195 -7.350 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -8.162 -12.049 -8.032 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -6.309 -12.455 -6.942 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -7.493 -12.982 -7.366 1.00 0.00 N ATOM 0 H HIS A 88 -10.008 -7.812 -7.407 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.227 -8.987 -6.694 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.513 -9.647 -9.363 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.814 -9.240 -9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -9.134 -12.172 -8.487 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.551 -12.973 -6.374 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.812 -13.936 -7.199 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.242 -6.245 -7.148 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.251 -5.212 -6.901 1.00 0.00 C ATOM 1373 C TYR A 89 -6.399 -4.636 -5.491 1.00 0.00 C ATOM 1374 O TYR A 89 -7.448 -4.782 -4.864 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.530 -4.107 -7.922 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.862 -4.332 -9.280 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.552 -4.760 -9.342 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.571 -4.107 -10.443 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.923 -4.971 -10.621 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -5.943 -4.319 -11.721 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.650 -4.741 -11.747 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.057 -4.940 -12.954 1.00 0.00 O ATOM 0 H TYR A 89 -8.210 -5.924 -7.115 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.243 -5.618 -6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.607 -4.024 -8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.190 -3.155 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.998 -4.937 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.597 -3.772 -10.394 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.898 -5.304 -10.684 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.486 -4.147 -12.638 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.695 -4.738 -13.669 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.334 -3.995 -5.033 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.333 -3.397 -3.709 1.00 0.00 C ATOM 1394 C ASN A 90 -5.224 -1.876 -3.841 1.00 0.00 C ATOM 1395 O ASN A 90 -4.735 -1.371 -4.850 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.140 -3.886 -2.885 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.193 -5.403 -2.691 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.297 -6.172 -3.632 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.116 -5.788 -1.420 1.00 0.00 N ATOM 0 H ASN A 90 -4.466 -3.877 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.259 -3.683 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.211 -3.612 -3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.137 -3.391 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.143 -6.780 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.030 -5.091 -0.680 1.00 0.00 H new ATOM 1406 N THR A 91 -5.689 -1.190 -2.807 1.00 0.00 N ATOM 1407 CA THR A 91 -5.650 0.263 -2.795 1.00 0.00 C ATOM 1408 C THR A 91 -5.069 0.769 -1.473 1.00 0.00 C ATOM 1409 O THR A 91 -5.109 0.067 -0.464 1.00 0.00 O ATOM 1410 CB THR A 91 -7.064 0.776 -3.074 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.912 -0.200 -2.474 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.425 0.719 -4.560 1.00 0.00 C ATOM 0 H THR A 91 -6.094 -1.613 -1.972 1.00 0.00 H new ATOM 0 HA THR A 91 -4.990 0.648 -3.572 1.00 0.00 H new ATOM 0 HB THR A 91 -7.155 1.802 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.849 0.055 -2.606 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.438 1.094 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.727 1.334 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.367 -0.312 -4.909 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.544 1.985 -1.522 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.956 2.594 -0.341 1.00 0.00 C ATOM 1422 C TYR A 92 -4.302 4.083 -0.262 1.00 0.00 C ATOM 1423 O TYR A 92 -4.177 4.806 -1.250 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.442 2.442 -0.498 1.00 0.00 C ATOM 1425 CG TYR A 92 -1.968 0.989 -0.579 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.225 0.120 0.462 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.283 0.549 -1.693 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.779 -1.247 0.385 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.837 -0.818 -1.770 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.107 -1.649 -0.727 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.685 -2.940 -0.799 1.00 0.00 O ATOM 0 H TYR A 92 -4.514 2.564 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.332 2.118 0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.126 2.967 -1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.949 2.928 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.760 0.465 1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.081 1.230 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.974 -1.938 1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.300 -1.176 -2.636 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.221 -3.085 -1.650 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.729 4.496 0.922 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.093 5.886 1.142 1.00 0.00 C ATOM 1443 C ILE A 93 -4.402 6.395 2.409 1.00 0.00 C ATOM 1444 O ILE A 93 -4.285 5.665 3.392 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.615 6.043 1.166 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.219 5.742 -0.207 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.014 7.429 1.677 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.702 5.385 -0.087 1.00 0.00 C ATOM 0 H ILE A 93 -4.831 3.893 1.739 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.744 6.507 0.317 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.024 5.312 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.101 6.608 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.679 4.918 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.101 7.515 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.632 7.568 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.594 8.193 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.107 5.176 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.814 4.504 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.243 6.221 0.357 1.00 0.00 H new ATOM 1460 N SER A 94 -3.962 7.643 2.344 1.00 0.00 N ATOM 1461 CA SER A 94 -3.286 8.258 3.473 1.00 0.00 C ATOM 1462 C SER A 94 -4.269 8.453 4.629 1.00 0.00 C ATOM 1463 O SER A 94 -5.417 8.840 4.413 1.00 0.00 O ATOM 1464 CB SER A 94 -2.659 9.596 3.077 1.00 0.00 C ATOM 1465 OG SER A 94 -1.479 9.875 3.826 1.00 0.00 O ATOM 0 H SER A 94 -4.061 8.245 1.527 1.00 0.00 H new ATOM 0 HA SER A 94 -2.484 7.593 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.419 9.583 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.384 10.396 3.231 1.00 0.00 H new ATOM 0 HG SER A 94 -0.745 9.314 3.500 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.784 8.176 5.830 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.605 8.317 7.020 1.00 0.00 C ATOM 1473 C LYS A 95 -4.934 9.796 7.236 1.00 0.00 C ATOM 1474 O LYS A 95 -6.091 10.200 7.128 1.00 0.00 O ATOM 1475 CB LYS A 95 -3.926 7.657 8.221 1.00 0.00 C ATOM 1476 CG LYS A 95 -4.961 7.065 9.180 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.568 7.318 10.636 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.754 7.084 11.573 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.333 7.217 12.986 1.00 0.00 N ATOM 0 H LYS A 95 -2.832 7.854 6.005 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.553 7.794 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.253 6.872 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.316 8.391 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.939 7.505 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.052 5.993 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.745 6.659 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.209 8.341 10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.545 7.801 11.354 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.169 6.090 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.150 7.055 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.594 6.516 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.959 8.174 13.148 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.896 10.562 7.536 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.060 11.987 7.767 1.00 0.00 C ATOM 1495 C LYS A 96 -4.900 12.590 6.639 1.00 0.00 C ATOM 1496 O LYS A 96 -5.580 13.595 6.836 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.699 12.661 7.948 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.531 13.184 9.376 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.127 13.753 9.590 1.00 0.00 C ATOM 1500 CE LYS A 96 -0.997 14.385 10.977 1.00 0.00 C ATOM 1501 NZ LYS A 96 0.188 15.270 11.035 1.00 0.00 N ATOM 0 H LYS A 96 -2.938 10.223 7.624 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.602 12.162 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.904 11.950 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.601 13.485 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.274 13.956 9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.712 12.377 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.388 12.960 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.913 14.499 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.896 14.956 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.912 13.604 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.261 15.691 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.045 14.716 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.092 16.026 10.327 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.824 11.949 5.482 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.569 12.409 4.322 1.00 0.00 C ATOM 1517 C HIS A 97 -6.473 11.285 3.813 1.00 0.00 C ATOM 1518 O HIS A 97 -6.446 10.948 2.630 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.622 12.942 3.245 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.445 13.715 3.789 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -3.057 14.944 3.285 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.576 13.422 4.799 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -2.001 15.362 3.967 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -1.704 14.417 4.905 1.00 0.00 N ATOM 0 H HIS A 97 -4.258 11.115 5.323 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.211 13.243 4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.251 12.104 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.184 13.585 2.568 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.508 15.443 2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.594 12.531 5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.469 16.288 3.808 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.253 10.734 4.732 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.163 9.654 4.391 1.00 0.00 C ATOM 1534 C ALA A 98 -9.523 10.242 4.008 1.00 0.00 C ATOM 1535 O ALA A 98 -10.186 9.741 3.101 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.260 8.678 5.566 1.00 0.00 C ATOM 0 H ALA A 98 -7.273 11.015 5.712 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.791 9.095 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.943 7.868 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.273 8.267 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.633 9.203 6.445 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.898 11.295 4.719 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.167 11.956 4.465 1.00 0.00 C ATOM 1544 C GLU A 99 -11.103 12.743 3.154 1.00 0.00 C ATOM 1545 O GLU A 99 -12.135 13.078 2.577 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.555 12.866 5.632 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.444 12.125 6.633 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.251 13.108 7.483 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -14.137 13.769 6.898 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -12.964 13.178 8.697 1.00 0.00 O ATOM 0 H GLU A 99 -9.345 11.707 5.471 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.939 11.192 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.656 13.223 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.080 13.744 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.122 11.459 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.827 11.501 7.280 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.880 13.014 2.724 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.667 13.755 1.492 1.00 0.00 C ATOM 1559 C LYS A 100 -9.787 12.801 0.301 1.00 0.00 C ATOM 1560 O LYS A 100 -9.691 13.225 -0.850 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.338 14.510 1.544 1.00 0.00 C ATOM 1562 CG LYS A 100 -8.311 15.493 2.716 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.742 16.846 2.284 1.00 0.00 C ATOM 1564 CE LYS A 100 -8.853 17.776 1.792 1.00 0.00 C ATOM 1565 NZ LYS A 100 -8.284 18.891 1.002 1.00 0.00 N ATOM 0 H LYS A 100 -9.026 12.734 3.206 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.436 14.518 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.516 13.800 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.185 15.049 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.320 15.627 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.708 15.083 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.220 17.309 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.008 16.700 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.561 17.215 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.408 18.171 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.051 19.512 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.626 19.436 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.775 18.509 0.180 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.994 11.532 0.619 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.128 10.515 -0.410 1.00 0.00 C ATOM 1581 C ASN A 101 -8.989 10.667 -1.422 1.00 0.00 C ATOM 1582 O ASN A 101 -9.227 10.976 -2.588 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.451 10.664 -1.163 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.533 11.259 -0.259 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.538 12.438 0.053 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.445 10.379 0.144 1.00 0.00 N ATOM 0 H ASN A 101 -10.072 11.185 1.575 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.097 9.539 0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.308 11.304 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.775 9.691 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.208 10.677 0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.382 9.406 -0.155 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.777 10.441 -0.937 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.601 10.549 -1.784 1.00 0.00 C ATOM 1595 C TRP A 102 -6.020 9.145 -1.967 1.00 0.00 C ATOM 1596 O TRP A 102 -5.847 8.410 -0.996 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.594 11.542 -1.200 1.00 0.00 C ATOM 1598 CG TRP A 102 -6.057 12.999 -1.247 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.199 13.485 -1.752 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.338 14.146 -0.748 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.269 14.857 -1.615 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -6.101 15.271 -0.985 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -4.084 14.231 -0.117 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.697 16.562 -0.623 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.694 15.527 0.238 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.451 16.670 0.007 1.00 0.00 C ATOM 0 H TRP A 102 -7.584 10.184 0.031 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.866 10.946 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.390 11.270 -0.164 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.654 11.453 -1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.968 12.880 -2.209 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -8.036 15.456 -1.920 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.470 13.364 0.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.313 17.427 -0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.738 15.648 0.726 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.080 17.637 0.312 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.735 8.816 -3.218 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.177 7.513 -3.541 1.00 0.00 C ATOM 1619 C PHE A 103 -3.759 7.647 -4.100 1.00 0.00 C ATOM 1620 O PHE A 103 -3.448 8.620 -4.786 1.00 0.00 O ATOM 1621 CB PHE A 103 -6.078 6.893 -4.610 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.502 6.602 -4.132 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.430 7.597 -4.116 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.840 5.350 -3.724 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.752 7.327 -3.672 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.162 5.080 -3.281 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.090 6.074 -3.264 1.00 0.00 C ATOM 0 H PHE A 103 -5.880 9.429 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.128 6.896 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.124 7.566 -5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.626 5.964 -4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.162 8.591 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.103 4.561 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.489 8.116 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.430 4.085 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.095 5.869 -2.927 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.938 6.656 -3.786 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.560 6.651 -4.249 1.00 0.00 C ATOM 1639 C VAL A 104 -1.540 6.541 -5.775 1.00 0.00 C ATOM 1640 O VAL A 104 -1.585 7.552 -6.474 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.780 5.531 -3.558 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.618 5.385 -4.161 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.705 5.766 -2.048 1.00 0.00 C ATOM 0 H VAL A 104 -3.200 5.851 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.064 7.585 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.316 4.597 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.152 4.582 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.534 5.149 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.166 6.319 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.145 4.956 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.203 6.714 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.713 5.797 -1.634 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.472 5.305 -6.246 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.445 5.049 -7.676 1.00 0.00 C ATOM 1655 C GLY A 105 -0.337 5.856 -8.356 1.00 0.00 C ATOM 1656 O GLY A 105 0.256 6.742 -7.743 1.00 0.00 O ATOM 0 H GLY A 105 -1.435 4.469 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.288 3.985 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.409 5.307 -8.114 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.092 5.520 -9.614 1.00 0.00 N ATOM 1661 CA LEU A 106 0.935 6.201 -10.384 1.00 0.00 C ATOM 1662 C LEU A 106 0.420 6.452 -11.803 1.00 0.00 C ATOM 1663 O LEU A 106 -0.173 5.566 -12.418 1.00 0.00 O ATOM 1664 CB LEU A 106 2.249 5.420 -10.336 1.00 0.00 C ATOM 1665 CG LEU A 106 2.767 5.063 -8.941 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.462 3.700 -8.947 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.673 6.167 -8.394 1.00 0.00 C ATOM 0 H LEU A 106 -0.587 4.785 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 106 1.155 7.175 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.121 4.497 -10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.014 6.004 -10.848 1.00 0.00 H new ATOM 0 HG LEU A 106 1.913 4.985 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.821 3.470 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.756 2.933 -9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.305 3.725 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.028 5.888 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.526 6.301 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.112 7.100 -8.330 1.00 0.00 H new ATOM 1679 N LYS A 107 0.664 7.663 -12.282 1.00 0.00 N ATOM 1680 CA LYS A 107 0.232 8.041 -13.617 1.00 0.00 C ATOM 1681 C LYS A 107 0.756 7.018 -14.626 1.00 0.00 C ATOM 1682 O LYS A 107 1.327 5.998 -14.243 1.00 0.00 O ATOM 1683 CB LYS A 107 0.649 9.480 -13.927 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.157 10.477 -13.092 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.336 11.800 -13.839 1.00 0.00 C ATOM 1686 CE LYS A 107 -0.305 12.985 -12.871 1.00 0.00 C ATOM 1687 NZ LYS A 107 -1.570 13.750 -12.948 1.00 0.00 N ATOM 0 H LYS A 107 1.155 8.395 -11.769 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.856 8.027 -13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.712 9.606 -13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.501 9.685 -14.987 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.133 10.054 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.350 10.656 -12.144 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.454 11.912 -14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.283 11.792 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.151 12.627 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.536 13.636 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.701 14.294 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.533 14.402 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.367 13.092 -13.070 1.00 0.00 H new ATOM 1701 N LYS A 108 0.543 7.326 -15.897 1.00 0.00 N ATOM 1702 CA LYS A 108 0.986 6.446 -16.965 1.00 0.00 C ATOM 1703 C LYS A 108 2.416 6.815 -17.364 1.00 0.00 C ATOM 1704 O LYS A 108 3.041 6.119 -18.162 1.00 0.00 O ATOM 1705 CB LYS A 108 -0.005 6.476 -18.130 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.462 5.063 -18.499 1.00 0.00 C ATOM 1707 CD LYS A 108 -1.369 5.084 -19.731 1.00 0.00 C ATOM 1708 CE LYS A 108 -0.568 5.397 -20.996 1.00 0.00 C ATOM 1709 NZ LYS A 108 -1.471 5.524 -22.162 1.00 0.00 N ATOM 0 H LYS A 108 0.069 8.173 -16.211 1.00 0.00 H new ATOM 0 HA LYS A 108 1.007 5.412 -16.622 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.870 7.083 -17.861 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.460 6.949 -18.995 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.407 4.435 -18.694 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.995 4.618 -17.658 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.864 4.119 -19.839 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.152 5.831 -19.598 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.008 6.322 -20.860 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.161 4.607 -21.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.912 5.737 -23.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.987 4.632 -22.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.150 6.293 -21.993 1.00 0.00 H new ATOM 1723 N ASN A 109 2.893 7.909 -16.789 1.00 0.00 N ATOM 1724 CA ASN A 109 4.238 8.380 -17.074 1.00 0.00 C ATOM 1725 C ASN A 109 5.209 7.782 -16.055 1.00 0.00 C ATOM 1726 O ASN A 109 6.383 8.147 -16.023 1.00 0.00 O ATOM 1727 CB ASN A 109 4.322 9.904 -16.971 1.00 0.00 C ATOM 1728 CG ASN A 109 4.752 10.521 -18.303 1.00 0.00 C ATOM 1729 OD1 ASN A 109 4.694 9.900 -19.352 1.00 0.00 O ATOM 1730 ND2 ASN A 109 5.185 11.774 -18.204 1.00 0.00 N ATOM 0 H ASN A 109 2.372 8.483 -16.127 1.00 0.00 H new ATOM 0 HA ASN A 109 4.495 8.073 -18.088 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.353 10.306 -16.676 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.032 10.181 -16.192 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.494 12.274 -19.037 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.208 12.235 -17.295 1.00 0.00 H new ATOM 1737 N GLY A 110 4.684 6.873 -15.246 1.00 0.00 N ATOM 1738 CA GLY A 110 5.490 6.222 -14.228 1.00 0.00 C ATOM 1739 C GLY A 110 5.777 7.173 -13.064 1.00 0.00 C ATOM 1740 O GLY A 110 6.866 7.149 -12.493 1.00 0.00 O ATOM 0 H GLY A 110 3.710 6.572 -15.275 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.971 5.337 -13.860 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.429 5.882 -14.665 1.00 0.00 H new ATOM 1744 N SER A 111 4.782 7.988 -12.749 1.00 0.00 N ATOM 1745 CA SER A 111 4.914 8.945 -11.664 1.00 0.00 C ATOM 1746 C SER A 111 3.734 8.808 -10.698 1.00 0.00 C ATOM 1747 O SER A 111 2.732 8.174 -11.023 1.00 0.00 O ATOM 1748 CB SER A 111 4.998 10.376 -12.199 1.00 0.00 C ATOM 1749 OG SER A 111 6.324 10.723 -12.588 1.00 0.00 O ATOM 0 H SER A 111 3.881 8.006 -13.226 1.00 0.00 H new ATOM 0 HA SER A 111 5.840 8.730 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.330 10.484 -13.053 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.651 11.070 -11.434 1.00 0.00 H new ATOM 0 HG SER A 111 6.336 11.643 -12.925 1.00 0.00 H new ATOM 1755 N CYS A 112 3.894 9.413 -9.530 1.00 0.00 N ATOM 1756 CA CYS A 112 2.855 9.366 -8.516 1.00 0.00 C ATOM 1757 C CYS A 112 1.712 10.284 -8.955 1.00 0.00 C ATOM 1758 O CYS A 112 1.949 11.407 -9.399 1.00 0.00 O ATOM 1759 CB CYS A 112 3.394 9.746 -7.135 1.00 0.00 C ATOM 1760 SG CYS A 112 4.161 11.407 -7.199 1.00 0.00 S ATOM 0 H CYS A 112 4.727 9.938 -9.264 1.00 0.00 H new ATOM 0 HA CYS A 112 2.484 8.346 -8.420 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.585 9.738 -6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.128 9.010 -6.806 1.00 0.00 H new ATOM 0 HG CYS A 112 3.587 12.115 -8.126 1.00 0.00 H new ATOM 1766 N LYS A 113 0.498 9.773 -8.816 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.681 10.534 -9.193 1.00 0.00 C ATOM 1768 C LYS A 113 -1.181 11.325 -7.982 1.00 0.00 C ATOM 1769 O LYS A 113 -1.361 10.765 -6.902 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.739 9.613 -9.805 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.906 10.422 -10.375 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.045 9.502 -10.820 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.574 8.677 -9.646 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.937 8.178 -9.936 1.00 0.00 N ATOM 0 H LYS A 113 0.305 8.842 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.435 11.259 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.289 9.011 -10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.107 8.922 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.271 11.121 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.562 11.017 -11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.853 10.097 -11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.693 8.836 -11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.906 7.837 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.588 9.287 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.070 7.249 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.639 8.848 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.061 8.086 -10.964 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.392 12.614 -8.204 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.868 13.487 -7.145 1.00 0.00 C ATOM 1790 C ARG A 114 -2.892 12.756 -6.274 1.00 0.00 C ATOM 1791 O ARG A 114 -3.606 11.877 -6.754 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.509 14.752 -7.720 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.527 15.925 -7.692 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.866 16.120 -9.058 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.890 16.457 -10.072 1.00 0.00 N ATOM 1796 CZ ARG A 114 -1.608 16.886 -11.310 1.00 0.00 C ATOM 1797 NH1 ARG A 114 -0.333 17.033 -11.694 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -2.602 17.168 -12.163 1.00 0.00 N ATOM 0 H ARG A 114 -1.242 13.075 -9.102 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.008 13.772 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.831 14.567 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.400 15.005 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -2.052 16.836 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.762 15.746 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.123 16.915 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.339 15.211 -9.349 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.871 16.357 -9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.423 16.818 -11.044 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.119 17.359 -12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.573 17.056 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.388 17.495 -13.105 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.931 13.147 -5.008 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.855 12.540 -4.066 1.00 0.00 C ATOM 1814 C GLY A 115 -5.265 13.108 -4.237 1.00 0.00 C ATOM 1815 O GLY A 115 -6.239 12.359 -4.282 1.00 0.00 O ATOM 0 H GLY A 115 -2.337 13.877 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.874 11.460 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.509 12.716 -3.047 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.331 14.463 -4.331 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.606 15.141 -4.496 1.00 0.00 C ATOM 1821 C PRO A 116 -7.130 14.982 -5.925 1.00 0.00 C ATOM 1822 O PRO A 116 -8.168 15.542 -6.275 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.333 16.589 -4.121 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.826 16.765 -4.208 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.198 15.383 -4.281 1.00 0.00 C ATOM 0 HA PRO A 116 -7.390 14.722 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.846 17.271 -4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.694 16.807 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.561 17.352 -5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.454 17.308 -3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.566 15.281 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.568 15.188 -3.413 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.387 14.217 -6.712 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.764 13.978 -8.095 1.00 0.00 C ATOM 1835 C ARG A 117 -6.997 12.484 -8.330 1.00 0.00 C ATOM 1836 O ARG A 117 -6.551 11.934 -9.336 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.681 14.476 -9.054 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.540 15.997 -8.980 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.938 16.650 -10.306 1.00 0.00 C ATOM 1840 NE ARG A 117 -6.043 18.116 -10.136 1.00 0.00 N ATOM 1841 CZ ARG A 117 -7.029 18.727 -9.465 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -8.002 18.001 -8.897 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -7.043 20.063 -9.363 1.00 0.00 N ATOM 0 H ARG A 117 -5.526 13.755 -6.418 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.685 14.528 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.729 14.007 -8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.929 14.179 -10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -6.166 16.385 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.510 16.259 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.199 16.416 -11.072 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.891 16.246 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 117 -5.319 18.699 -10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -7.992 16.984 -8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -8.753 18.465 -8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -6.303 20.615 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -7.794 20.528 -8.852 1.00 0.00 H new ATOM 1857 N THR A 118 -7.696 11.871 -7.387 1.00 0.00 N ATOM 1858 CA THR A 118 -7.994 10.452 -7.479 1.00 0.00 C ATOM 1859 C THR A 118 -9.503 10.216 -7.387 1.00 0.00 C ATOM 1860 O THR A 118 -10.254 11.118 -7.019 1.00 0.00 O ATOM 1861 CB THR A 118 -7.199 9.730 -6.389 1.00 0.00 C ATOM 1862 OG1 THR A 118 -7.419 10.516 -5.221 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.688 9.811 -6.615 1.00 0.00 C ATOM 0 H THR A 118 -8.065 12.331 -6.555 1.00 0.00 H new ATOM 0 HA THR A 118 -7.692 10.047 -8.445 1.00 0.00 H new ATOM 0 HB THR A 118 -7.504 8.684 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.677 11.146 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.171 9.283 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.438 9.352 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.376 10.856 -6.621 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.902 9.000 -7.728 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.308 8.635 -7.689 1.00 0.00 C ATOM 1873 C HIS A 119 -11.459 7.142 -7.990 1.00 0.00 C ATOM 1874 O HIS A 119 -10.474 6.457 -8.259 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.125 9.516 -8.636 1.00 0.00 C ATOM 1876 CG HIS A 119 -13.129 10.401 -7.937 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -13.351 11.717 -8.303 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -13.968 10.145 -6.893 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -14.283 12.221 -7.507 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -14.664 11.245 -6.634 1.00 0.00 N ATOM 0 H HIS A 119 -9.276 8.254 -8.033 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.705 8.811 -6.689 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.444 10.142 -9.213 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.651 8.878 -9.347 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -14.052 9.206 -6.366 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.672 13.228 -7.543 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -15.368 11.344 -5.902 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.701 6.683 -7.936 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.993 5.285 -8.199 1.00 0.00 C ATOM 1890 C TYR A 120 -13.305 5.060 -9.680 1.00 0.00 C ATOM 1891 O TYR A 120 -14.208 5.689 -10.231 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.236 4.951 -7.372 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.565 3.458 -7.318 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.569 2.541 -7.050 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -15.858 3.028 -7.537 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -13.879 1.135 -6.999 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.168 1.622 -7.487 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.163 0.745 -7.220 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.455 -0.582 -7.172 1.00 0.00 O ATOM 0 H TYR A 120 -13.516 7.255 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.139 4.659 -7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.093 5.318 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.090 5.486 -7.787 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.557 2.877 -6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.638 3.746 -7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.109 0.407 -6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.175 1.272 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.410 -0.713 -7.348 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.542 4.160 -10.283 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.725 3.845 -11.689 1.00 0.00 C ATOM 1911 C GLY A 121 -11.393 3.893 -12.441 1.00 0.00 C ATOM 1912 O GLY A 121 -11.280 3.365 -13.546 1.00 0.00 O ATOM 0 H GLY A 121 -11.796 3.639 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.167 2.854 -11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.424 4.552 -12.135 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.418 4.532 -11.811 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.098 4.656 -12.406 1.00 0.00 C ATOM 1918 C GLN A 122 -8.253 3.422 -12.085 1.00 0.00 C ATOM 1919 O GLN A 122 -8.404 2.821 -11.023 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.403 5.935 -11.935 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.300 7.156 -12.144 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.546 8.450 -11.832 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.869 9.022 -12.670 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.700 8.878 -10.582 1.00 0.00 N ATOM 0 H GLN A 122 -10.516 4.969 -10.895 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.213 4.721 -13.488 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.145 5.845 -10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.469 6.068 -12.481 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.656 7.178 -13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.179 7.080 -11.504 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.281 8.351 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.237 9.733 -10.275 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.382 3.080 -13.023 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.513 1.928 -12.854 1.00 0.00 C ATOM 1935 C LYS A 123 -5.190 2.380 -12.233 1.00 0.00 C ATOM 1936 O LYS A 123 -4.156 1.745 -12.435 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.347 1.183 -14.180 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.250 -0.327 -13.951 1.00 0.00 C ATOM 1939 CD LYS A 123 -5.565 -1.018 -15.132 1.00 0.00 C ATOM 1940 CE LYS A 123 -6.582 -1.402 -16.208 1.00 0.00 C ATOM 1941 NZ LYS A 123 -6.680 -0.337 -17.231 1.00 0.00 N ATOM 0 H LYS A 123 -7.259 3.581 -13.903 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.960 1.211 -12.166 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.192 1.402 -14.833 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.450 1.536 -14.690 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.692 -0.524 -13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.248 -0.742 -13.811 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -4.812 -0.355 -15.558 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.044 -1.910 -14.784 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.287 -2.340 -16.678 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.558 -1.568 -15.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.654 -0.293 -17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -6.427 0.578 -16.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.028 -0.546 -18.014 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.265 3.475 -11.490 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.086 4.019 -10.838 1.00 0.00 C ATOM 1957 C ALA A 124 -4.112 3.647 -9.354 1.00 0.00 C ATOM 1958 O ALA A 124 -3.104 3.207 -8.803 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.033 5.532 -11.059 1.00 0.00 C ATOM 0 H ALA A 124 -6.124 4.000 -11.325 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.179 3.595 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.149 5.940 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.986 5.742 -12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.926 5.993 -10.637 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.274 3.839 -8.749 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.444 3.530 -7.339 1.00 0.00 C ATOM 1967 C ILE A 125 -5.252 2.027 -7.125 1.00 0.00 C ATOM 1968 O ILE A 125 -4.842 1.598 -6.047 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.789 4.055 -6.833 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -7.933 3.129 -7.253 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.022 5.497 -7.291 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.279 3.662 -6.758 1.00 0.00 C ATOM 0 H ILE A 125 -6.108 4.205 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.685 4.038 -6.744 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.764 4.062 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.951 3.037 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.763 2.130 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.985 5.846 -6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.229 6.135 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.018 5.538 -8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.075 2.986 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.266 3.730 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.457 4.651 -7.181 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.556 1.269 -8.168 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.421 -0.177 -8.107 1.00 0.00 C ATOM 1986 C LEU A 126 -3.937 -0.546 -8.087 1.00 0.00 C ATOM 1987 O LEU A 126 -3.150 -0.009 -8.865 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.204 -0.836 -9.244 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.643 -0.354 -9.435 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.224 -0.870 -10.753 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.514 -0.737 -8.237 1.00 0.00 C ATOM 0 H LEU A 126 -5.895 1.629 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.857 -0.562 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.661 -0.673 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.222 -1.912 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.633 0.735 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.248 -0.513 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.620 -0.505 -11.584 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.218 -1.960 -10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.532 -0.382 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.521 -1.821 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.110 -0.281 -7.333 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.599 -1.460 -7.190 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.222 -1.907 -7.059 1.00 0.00 C ATOM 2005 C PHE A 127 -2.154 -3.425 -6.880 1.00 0.00 C ATOM 2006 O PHE A 127 -3.105 -4.041 -6.403 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.650 -1.232 -5.811 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.842 0.034 -6.103 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.014 0.079 -7.181 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.952 1.115 -5.284 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.735 1.254 -7.452 1.00 0.00 C ATOM 2012 CE2 PHE A 127 -0.202 2.290 -5.556 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.625 2.335 -6.634 1.00 0.00 C ATOM 0 H PHE A 127 -4.254 -1.904 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.659 -1.648 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.470 -0.980 -5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.014 -1.944 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.074 -0.779 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.609 1.080 -4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.392 1.290 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.289 3.148 -4.906 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.195 3.229 -6.841 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.018 -3.984 -7.273 1.00 0.00 N ATOM 2024 CA LEU A 128 -0.813 -5.418 -7.162 1.00 0.00 C ATOM 2025 C LEU A 128 0.572 -5.687 -6.569 1.00 0.00 C ATOM 2026 O LEU A 128 1.586 -5.469 -7.230 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.047 -6.099 -8.512 1.00 0.00 C ATOM 2028 CG LEU A 128 -1.799 -7.430 -8.471 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.221 -7.240 -7.942 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -1.784 -8.111 -9.841 1.00 0.00 C ATOM 0 H LEU A 128 -0.231 -3.470 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.542 -5.855 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.600 -5.412 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.079 -6.266 -8.985 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.283 -8.092 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.734 -8.202 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.182 -6.830 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.762 -6.553 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.326 -9.055 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.262 -7.462 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.754 -8.301 -10.141 1.00 0.00 H new ATOM 2042 N PRO A 129 0.569 -6.168 -5.297 1.00 0.00 N ATOM 2043 CA PRO A 129 1.812 -6.468 -4.608 1.00 0.00 C ATOM 2044 C PRO A 129 2.431 -7.765 -5.134 1.00 0.00 C ATOM 2045 O PRO A 129 1.796 -8.818 -5.103 1.00 0.00 O ATOM 2046 CB PRO A 129 1.439 -6.543 -3.137 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.068 -6.743 -3.099 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.613 -6.438 -4.484 1.00 0.00 C ATOM 0 HA PRO A 129 2.577 -5.710 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.955 -7.367 -2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.725 -5.630 -2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.310 -7.766 -2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.522 -6.086 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.182 -7.279 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.285 -5.580 -4.465 1.00 0.00 H new ATOM 2056 N LEU A 130 3.664 -7.646 -5.606 1.00 0.00 N ATOM 2057 CA LEU A 130 4.376 -8.795 -6.138 1.00 0.00 C ATOM 2058 C LEU A 130 5.398 -9.278 -5.107 1.00 0.00 C ATOM 2059 O LEU A 130 6.052 -8.470 -4.450 1.00 0.00 O ATOM 2060 CB LEU A 130 4.986 -8.463 -7.501 1.00 0.00 C ATOM 2061 CG LEU A 130 4.008 -8.395 -8.676 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.344 -9.753 -8.916 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.979 -7.282 -8.468 1.00 0.00 C ATOM 0 H LEU A 130 4.188 -6.771 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 130 3.688 -9.621 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.497 -7.503 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.745 -9.211 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 130 4.571 -8.149 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.654 -9.677 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.108 -10.497 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.796 -10.053 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.296 -7.255 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.416 -7.473 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.492 -6.324 -8.384 1.00 0.00 H new ATOM 2075 N PRO A 131 5.507 -10.629 -4.995 1.00 0.00 N ATOM 2076 CA PRO A 131 6.439 -11.230 -4.056 1.00 0.00 C ATOM 2077 C PRO A 131 7.878 -11.121 -4.565 1.00 0.00 C ATOM 2078 O PRO A 131 8.280 -11.862 -5.461 1.00 0.00 O ATOM 2079 CB PRO A 131 5.970 -12.668 -3.902 1.00 0.00 C ATOM 2080 CG PRO A 131 5.084 -12.948 -5.104 1.00 0.00 C ATOM 2081 CD PRO A 131 4.749 -11.617 -5.757 1.00 0.00 C ATOM 0 HA PRO A 131 6.449 -10.723 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.817 -13.354 -3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.419 -12.802 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.595 -13.602 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.173 -13.462 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.034 -11.609 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.679 -11.414 -5.715 1.00 0.00 H new ATOM 2089 N VAL A 132 8.613 -10.192 -3.972 1.00 0.00 N ATOM 2090 CA VAL A 132 9.998 -9.978 -4.355 1.00 0.00 C ATOM 2091 C VAL A 132 10.912 -10.755 -3.405 1.00 0.00 C ATOM 2092 O VAL A 132 12.124 -10.802 -3.605 1.00 0.00 O ATOM 2093 CB VAL A 132 10.306 -8.479 -4.387 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.607 -7.951 -2.983 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.459 -8.176 -5.346 1.00 0.00 C ATOM 0 H VAL A 132 8.276 -9.579 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 132 10.178 -10.356 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 132 9.420 -7.963 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.822 -6.884 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.743 -8.116 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.470 -8.476 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.657 -7.104 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.352 -8.709 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.190 -8.499 -6.352 1.00 0.00 H new