USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 969 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 27 THR OG1 : rot -89:sc= -3.9! USER MOD Set 1.2: A 28 SER OG : rot 126:sc= -1.7! USER MOD Single : A 12 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-5.4!) USER MOD Single : A 13 THR OG1 : rot -55:sc= 0.664 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -173:sc= -0.0313 (180deg=-0.102) USER MOD Single : A 45 GLN : amide:sc= -1.97 X(o=-2,f=-2.2) USER MOD Single : A 47 ASN : amide:sc= -4.21! C(o=-4.2!,f=-13!) USER MOD Single : A 55 TYR OH : rot 0:sc= -0.835 USER MOD Single : A 56 ASN :FLIP amide:sc= -4.97! C(o=-5.8!,f=-5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.0203 USER MOD Single : A 69 SER OG : rot -67:sc= -0.132 USER MOD Single : A 71 THR OG1 : rot 24:sc= -10.7! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A 78 MET CE :methyl -172:sc= -1.86! (180deg=-2.12!) USER MOD Single : A 93 THR OG1 : rot 116:sc= -0.245! USER MOD Single : A 97 GLN : amide:sc= -3.45! C(o=-3.5!,f=-14!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 10:sc= -2.24! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 111 TYR OH : rot 70:sc= -2.01 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 115 SER OG : rot 78:sc= 0.141! USER MOD Single : A 116 ASN :FLIP amide:sc= -0.211 F(o=-1.8!,f=-0.21) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : A 128 GLN : amide:sc= -5.75! C(o=-5.7!,f=-7.6!) USER MOD Single : A 132 HIS : no HE2:sc= -3.17! C(o=-3.2!,f=-5!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -163:sc= -4.57! USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN :FLIP amide:sc= -10.4! C(o=-13!,f=-10!) USER MOD Single : A 147 SER OG : rot 171:sc= 0.505 USER MOD Single : A 149 THR OG1 : rot 136:sc= -0.413! USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -11.076 -10.610 -10.641 1.00 2.11 N ATOM 82 CA VAL A 7 -12.127 -9.589 -10.912 1.00 2.12 C ATOM 83 C VAL A 7 -11.475 -8.214 -11.061 1.00 2.11 C ATOM 84 O VAL A 7 -11.841 -7.267 -10.394 1.00 2.83 O ATOM 85 CB VAL A 7 -13.122 -9.559 -9.750 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.004 -8.315 -9.865 1.00 2.17 C ATOM 87 CG2 VAL A 7 -13.999 -10.812 -9.798 1.00 2.42 C ATOM 0 HA VAL A 7 -12.652 -9.844 -11.832 1.00 2.12 H new ATOM 0 HB VAL A 7 -12.577 -9.532 -8.806 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -14.713 -8.294 -9.037 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.380 -7.422 -9.831 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -14.549 -8.341 -10.809 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -14.708 -10.792 -8.971 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.543 -10.839 -10.742 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.371 -11.699 -9.716 1.00 2.42 H new ATOM 97 N GLU A 8 -10.510 -8.095 -11.934 1.00 1.96 N ATOM 98 CA GLU A 8 -9.837 -6.779 -12.126 1.00 2.32 C ATOM 99 C GLU A 8 -10.865 -5.657 -11.972 1.00 2.30 C ATOM 100 O GLU A 8 -11.830 -5.581 -12.706 1.00 2.59 O ATOM 101 CB GLU A 8 -9.223 -6.720 -13.525 1.00 3.06 C ATOM 102 CG GLU A 8 -8.587 -5.347 -13.747 1.00 3.55 C ATOM 103 CD GLU A 8 -7.375 -5.189 -12.825 1.00 4.20 C ATOM 104 OE1 GLU A 8 -6.526 -6.065 -12.841 1.00 4.75 O ATOM 105 OE2 GLU A 8 -7.319 -4.196 -12.118 1.00 4.42 O ATOM 0 H GLU A 8 -10.160 -8.852 -12.521 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.051 -6.658 -11.380 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -8.472 -7.502 -13.637 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.990 -6.903 -14.278 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -8.282 -5.240 -14.788 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -9.315 -4.561 -13.546 1.00 3.55 H new ATOM 112 N LEU A 9 -10.668 -4.786 -11.020 1.00 2.76 N ATOM 113 CA LEU A 9 -11.638 -3.673 -10.820 1.00 3.48 C ATOM 114 C LEU A 9 -11.245 -2.480 -11.693 1.00 3.43 C ATOM 115 O LEU A 9 -12.086 -1.736 -12.154 1.00 4.12 O ATOM 116 CB LEU A 9 -11.635 -3.253 -9.347 1.00 3.72 C ATOM 117 CG LEU A 9 -12.679 -4.066 -8.581 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.629 -3.696 -7.098 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.072 -3.758 -9.135 1.00 3.49 C ATOM 0 H LEU A 9 -9.879 -4.797 -10.374 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.636 -4.010 -11.101 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.647 -3.412 -8.915 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.853 -2.189 -9.261 1.00 3.72 H new ATOM 0 HG LEU A 9 -12.467 -5.129 -8.697 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.374 -4.276 -6.553 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -11.637 -3.915 -6.702 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.840 -2.633 -6.981 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.817 -4.337 -8.589 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -14.283 -2.695 -9.019 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -14.110 -4.022 -10.192 1.00 3.49 H new ATOM 131 N LEU A 10 -9.975 -2.289 -11.927 1.00 2.81 N ATOM 132 CA LEU A 10 -9.546 -1.139 -12.773 1.00 2.72 C ATOM 133 C LEU A 10 -8.935 -1.677 -14.073 1.00 2.86 C ATOM 134 O LEU A 10 -8.091 -2.550 -14.047 1.00 2.83 O ATOM 135 CB LEU A 10 -8.506 -0.309 -12.009 1.00 2.41 C ATOM 136 CG LEU A 10 -8.599 1.165 -12.410 1.00 2.12 C ATOM 137 CD1 LEU A 10 -8.233 2.035 -11.206 1.00 1.99 C ATOM 138 CD2 LEU A 10 -7.625 1.437 -13.559 1.00 2.07 C ATOM 0 H LEU A 10 -9.220 -2.876 -11.571 1.00 2.81 H new ATOM 0 HA LEU A 10 -10.402 -0.508 -13.010 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -8.667 -0.411 -10.936 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -7.505 -0.687 -12.218 1.00 2.41 H new ATOM 0 HG LEU A 10 -9.613 1.400 -12.733 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -8.297 3.087 -11.484 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -8.924 1.833 -10.388 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -7.216 1.805 -10.887 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -7.688 2.486 -13.848 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.609 1.210 -13.236 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.884 0.809 -14.412 1.00 2.07 H new ATOM 150 N PRO A 11 -9.368 -1.179 -15.205 1.00 3.10 N ATOM 151 CA PRO A 11 -8.859 -1.642 -16.530 1.00 3.32 C ATOM 152 C PRO A 11 -7.391 -1.277 -16.778 1.00 2.96 C ATOM 153 O PRO A 11 -7.065 -0.600 -17.733 1.00 3.09 O ATOM 154 CB PRO A 11 -9.759 -0.937 -17.548 1.00 3.83 C ATOM 155 CG PRO A 11 -10.326 0.245 -16.834 1.00 3.73 C ATOM 156 CD PRO A 11 -10.386 -0.124 -15.352 1.00 3.29 C ATOM 0 HA PRO A 11 -8.890 -2.730 -16.595 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -9.191 -0.629 -18.426 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -10.550 -1.600 -17.897 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.703 1.126 -16.989 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -11.319 0.486 -17.213 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -10.165 0.735 -14.718 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -11.376 -0.483 -15.070 1.00 3.29 H new ATOM 164 N HIS A 12 -6.500 -1.733 -15.939 1.00 2.52 N ATOM 165 CA HIS A 12 -5.057 -1.425 -16.149 1.00 2.16 C ATOM 166 C HIS A 12 -4.200 -2.345 -15.278 1.00 1.83 C ATOM 167 O HIS A 12 -4.385 -2.435 -14.081 1.00 1.69 O ATOM 168 CB HIS A 12 -4.767 0.030 -15.776 1.00 2.13 C ATOM 169 CG HIS A 12 -3.300 0.295 -15.968 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.628 -0.083 -17.120 1.00 1.98 N ATOM 171 CD2 HIS A 12 -2.358 0.885 -15.162 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.340 0.279 -16.977 1.00 1.94 C ATOM 173 NE2 HIS A 12 -1.121 0.872 -15.801 1.00 1.82 N ATOM 0 H HIS A 12 -6.709 -2.304 -15.120 1.00 2.52 H new ATOM 0 HA HIS A 12 -4.816 -1.583 -17.200 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -5.357 0.704 -16.397 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -5.053 0.219 -14.741 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -2.548 1.297 -14.182 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.577 0.111 -17.722 1.00 1.94 H new ATOM 0 HE2 HIS A 12 -0.237 1.237 -15.447 1.00 1.82 H new ATOM 181 N THR A 13 -3.258 -3.028 -15.871 1.00 1.82 N ATOM 182 CA THR A 13 -2.384 -3.939 -15.080 1.00 1.56 C ATOM 183 C THR A 13 -1.229 -4.423 -15.960 1.00 1.39 C ATOM 184 O THR A 13 -1.171 -5.574 -16.346 1.00 1.58 O ATOM 185 CB THR A 13 -3.199 -5.141 -14.600 1.00 1.72 C ATOM 186 OG1 THR A 13 -2.390 -6.308 -14.643 1.00 1.59 O ATOM 187 CG2 THR A 13 -4.419 -5.329 -15.504 1.00 1.97 C ATOM 0 H THR A 13 -3.056 -2.994 -16.870 1.00 1.82 H new ATOM 0 HA THR A 13 -1.987 -3.405 -14.217 1.00 1.56 H new ATOM 0 HB THR A 13 -3.533 -4.968 -13.577 1.00 1.72 H new ATOM 0 HG1 THR A 13 -2.025 -6.420 -15.546 1.00 1.59 H new ATOM 0 HG21 THR A 13 -4.998 -6.186 -15.160 1.00 1.97 H new ATOM 0 HG22 THR A 13 -5.040 -4.434 -15.468 1.00 1.97 H new ATOM 0 HG23 THR A 13 -4.090 -5.501 -16.529 1.00 1.97 H new ATOM 195 N SER A 14 -0.309 -3.555 -16.285 1.00 1.20 N ATOM 196 CA SER A 14 0.836 -3.974 -17.141 1.00 1.07 C ATOM 197 C SER A 14 1.981 -2.968 -17.004 1.00 1.04 C ATOM 198 O SER A 14 2.150 -2.089 -17.826 1.00 1.10 O ATOM 199 CB SER A 14 0.384 -4.033 -18.601 1.00 1.14 C ATOM 200 OG SER A 14 1.511 -4.275 -19.432 1.00 1.96 O ATOM 0 H SER A 14 -0.301 -2.577 -15.995 1.00 1.20 H new ATOM 0 HA SER A 14 1.181 -4.958 -16.824 1.00 1.07 H new ATOM 0 HB2 SER A 14 -0.356 -4.822 -18.733 1.00 1.14 H new ATOM 0 HB3 SER A 14 -0.096 -3.096 -18.883 1.00 1.14 H new ATOM 0 HG SER A 14 1.224 -4.315 -20.368 1.00 1.96 H new ATOM 206 N PHE A 15 2.775 -3.094 -15.975 1.00 1.01 N ATOM 207 CA PHE A 15 3.914 -2.149 -15.791 1.00 1.00 C ATOM 208 C PHE A 15 5.153 -2.710 -16.492 1.00 1.00 C ATOM 209 O PHE A 15 6.273 -2.399 -16.137 1.00 0.98 O ATOM 210 CB PHE A 15 4.207 -1.987 -14.299 1.00 0.98 C ATOM 211 CG PHE A 15 3.333 -0.899 -13.722 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.032 -0.714 -14.203 1.00 1.11 C ATOM 213 CD2 PHE A 15 3.824 -0.075 -12.701 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.223 0.293 -13.665 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.015 0.932 -12.162 1.00 1.76 C ATOM 216 CZ PHE A 15 1.714 1.116 -12.645 1.00 0.95 C ATOM 0 H PHE A 15 2.684 -3.810 -15.254 1.00 1.01 H new ATOM 0 HA PHE A 15 3.656 -1.180 -16.218 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.024 -2.927 -13.779 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.258 -1.739 -14.150 1.00 0.98 H new ATOM 0 HD1 PHE A 15 1.652 -1.349 -14.990 1.00 1.11 H new ATOM 0 HD2 PHE A 15 4.828 -0.217 -12.329 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.219 0.435 -14.037 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.394 1.566 -11.374 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.089 1.893 -12.230 1.00 0.95 H new ATOM 226 N ALA A 16 4.962 -3.539 -17.482 1.00 1.06 N ATOM 227 CA ALA A 16 6.129 -4.126 -18.200 1.00 1.09 C ATOM 228 C ALA A 16 6.551 -3.203 -19.346 1.00 1.10 C ATOM 229 O ALA A 16 7.718 -3.077 -19.654 1.00 1.18 O ATOM 230 CB ALA A 16 5.744 -5.495 -18.765 1.00 1.14 C ATOM 0 H ALA A 16 4.048 -3.835 -17.825 1.00 1.06 H new ATOM 0 HA ALA A 16 6.960 -4.238 -17.503 1.00 1.09 H new ATOM 0 HB1 ALA A 16 6.597 -5.925 -19.290 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.450 -6.156 -17.949 1.00 1.14 H new ATOM 0 HB3 ALA A 16 4.911 -5.381 -19.458 1.00 1.14 H new ATOM 236 N GLU A 17 5.611 -2.559 -19.982 1.00 1.15 N ATOM 237 CA GLU A 17 5.961 -1.651 -21.107 1.00 1.19 C ATOM 238 C GLU A 17 5.731 -0.200 -20.685 1.00 1.29 C ATOM 239 O GLU A 17 6.583 0.649 -20.854 1.00 1.41 O ATOM 240 CB GLU A 17 5.076 -1.977 -22.311 1.00 1.32 C ATOM 241 CG GLU A 17 5.761 -3.032 -23.182 1.00 1.41 C ATOM 242 CD GLU A 17 7.077 -2.470 -23.725 1.00 1.67 C ATOM 243 OE1 GLU A 17 7.021 -1.646 -24.623 1.00 2.13 O ATOM 244 OE2 GLU A 17 8.118 -2.874 -23.234 1.00 1.96 O ATOM 0 H GLU A 17 4.615 -2.623 -19.770 1.00 1.15 H new ATOM 0 HA GLU A 17 7.009 -1.788 -21.373 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.106 -2.343 -21.974 1.00 1.32 H new ATOM 0 HB3 GLU A 17 4.891 -1.075 -22.894 1.00 1.32 H new ATOM 0 HG2 GLU A 17 5.951 -3.933 -22.599 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.108 -3.318 -24.006 1.00 1.41 H new ATOM 251 N SER A 18 4.584 0.092 -20.136 1.00 1.41 N ATOM 252 CA SER A 18 4.300 1.489 -19.705 1.00 1.64 C ATOM 253 C SER A 18 3.637 1.470 -18.327 1.00 1.51 C ATOM 254 O SER A 18 2.969 0.524 -17.961 1.00 1.30 O ATOM 255 CB SER A 18 3.359 2.151 -20.713 1.00 2.02 C ATOM 256 OG SER A 18 2.313 1.246 -21.042 1.00 2.26 O ATOM 0 H SER A 18 3.832 -0.576 -19.968 1.00 1.41 H new ATOM 0 HA SER A 18 5.232 2.051 -19.654 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.944 3.068 -20.293 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.909 2.432 -21.611 1.00 2.02 H new ATOM 0 HG SER A 18 1.707 1.667 -21.687 1.00 2.26 H new ATOM 262 N LEU A 19 3.813 2.510 -17.558 1.00 1.67 N ATOM 263 CA LEU A 19 3.186 2.545 -16.207 1.00 1.59 C ATOM 264 C LEU A 19 1.751 3.058 -16.332 1.00 1.72 C ATOM 265 O LEU A 19 1.200 3.627 -15.411 1.00 2.45 O ATOM 266 CB LEU A 19 3.978 3.470 -15.273 1.00 1.61 C ATOM 267 CG LEU A 19 5.005 4.288 -16.062 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.068 3.357 -16.651 1.00 2.60 C ATOM 269 CD2 LEU A 19 4.306 5.056 -17.187 1.00 1.37 C ATOM 0 H LEU A 19 4.362 3.333 -17.806 1.00 1.67 H new ATOM 0 HA LEU A 19 3.188 1.538 -15.789 1.00 1.59 H new ATOM 0 HB2 LEU A 19 3.294 4.141 -14.752 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.485 2.878 -14.511 1.00 1.61 H new ATOM 0 HG LEU A 19 5.486 5.000 -15.391 1.00 1.71 H new ATOM 0 HD11 LEU A 19 6.796 3.944 -17.211 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.574 2.826 -15.845 1.00 2.60 H new ATOM 0 HD13 LEU A 19 5.592 2.637 -17.317 1.00 2.60 H new ATOM 0 HD21 LEU A 19 5.042 5.636 -17.744 1.00 1.37 H new ATOM 0 HD22 LEU A 19 3.815 4.351 -17.858 1.00 1.37 H new ATOM 0 HD23 LEU A 19 3.562 5.729 -16.761 1.00 1.37 H new ATOM 281 N GLY A 20 1.141 2.861 -17.469 1.00 1.44 N ATOM 282 CA GLY A 20 -0.259 3.334 -17.659 1.00 1.58 C ATOM 283 C GLY A 20 -0.401 4.751 -17.102 1.00 1.59 C ATOM 284 O GLY A 20 0.545 5.514 -17.076 1.00 1.62 O ATOM 0 H GLY A 20 1.553 2.392 -18.276 1.00 1.44 H new ATOM 0 HA2 GLY A 20 -0.518 3.321 -18.718 1.00 1.58 H new ATOM 0 HA3 GLY A 20 -0.952 2.662 -17.153 1.00 1.58 H new ATOM 288 N PRO A 21 -1.581 5.099 -16.664 1.00 1.60 N ATOM 289 CA PRO A 21 -1.865 6.446 -16.100 1.00 1.60 C ATOM 290 C PRO A 21 -1.430 6.574 -14.637 1.00 1.43 C ATOM 291 O PRO A 21 -1.735 7.546 -13.974 1.00 1.67 O ATOM 292 CB PRO A 21 -3.383 6.564 -16.223 1.00 1.68 C ATOM 293 CG PRO A 21 -3.898 5.163 -16.161 1.00 1.70 C ATOM 294 CD PRO A 21 -2.779 4.244 -16.660 1.00 1.63 C ATOM 0 HA PRO A 21 -1.318 7.231 -16.622 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.796 7.170 -15.417 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.665 7.045 -17.160 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -4.183 4.903 -15.141 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.789 5.054 -16.779 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -2.650 3.382 -16.005 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.996 3.858 -17.656 1.00 1.63 H new ATOM 302 N TRP A 22 -0.716 5.607 -14.127 1.00 1.30 N ATOM 303 CA TRP A 22 -0.264 5.687 -12.709 1.00 1.15 C ATOM 304 C TRP A 22 0.816 6.764 -12.583 1.00 1.24 C ATOM 305 O TRP A 22 1.281 7.308 -13.565 1.00 1.48 O ATOM 306 CB TRP A 22 0.303 4.336 -12.268 1.00 1.19 C ATOM 307 CG TRP A 22 -0.823 3.400 -11.956 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.886 3.176 -12.761 1.00 1.40 C ATOM 309 CD2 TRP A 22 -1.017 2.563 -10.777 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.719 2.253 -12.155 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.228 1.844 -10.931 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.271 2.357 -9.603 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.681 0.955 -9.955 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.724 1.463 -8.618 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.927 0.762 -8.793 1.00 2.39 C ATOM 0 H TRP A 22 -0.427 4.768 -14.629 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.111 5.942 -12.072 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.930 3.918 -13.056 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.937 4.465 -11.391 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -2.057 3.642 -13.720 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.591 1.915 -12.563 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.657 2.890 -9.457 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.608 0.419 -10.096 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.142 1.314 -7.720 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.270 0.076 -8.033 1.00 2.39 H new ATOM 326 N SER A 23 1.215 7.079 -11.382 1.00 1.20 N ATOM 327 CA SER A 23 2.261 8.124 -11.194 1.00 1.36 C ATOM 328 C SER A 23 3.550 7.470 -10.689 1.00 1.28 C ATOM 329 O SER A 23 3.604 6.278 -10.462 1.00 1.33 O ATOM 330 CB SER A 23 1.777 9.152 -10.170 1.00 1.45 C ATOM 331 OG SER A 23 0.367 9.295 -10.281 1.00 1.64 O ATOM 0 H SER A 23 0.862 6.658 -10.522 1.00 1.20 H new ATOM 0 HA SER A 23 2.453 8.621 -12.145 1.00 1.36 H new ATOM 0 HB2 SER A 23 2.044 8.833 -9.163 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.266 10.111 -10.341 1.00 1.45 H new ATOM 0 HG SER A 23 0.052 9.952 -9.625 1.00 1.64 H new ATOM 337 N LEU A 24 4.587 8.242 -10.516 1.00 1.31 N ATOM 338 CA LEU A 24 5.873 7.667 -10.032 1.00 1.25 C ATOM 339 C LEU A 24 6.904 8.787 -9.881 1.00 1.30 C ATOM 340 O LEU A 24 7.195 9.499 -10.819 1.00 1.47 O ATOM 341 CB LEU A 24 6.383 6.645 -11.049 1.00 1.40 C ATOM 342 CG LEU A 24 6.574 7.330 -12.405 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.991 7.903 -12.512 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.355 6.305 -13.519 1.00 2.05 C ATOM 0 H LEU A 24 4.599 9.247 -10.689 1.00 1.31 H new ATOM 0 HA LEU A 24 5.717 7.181 -9.069 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.326 6.217 -10.709 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.674 5.822 -11.141 1.00 1.40 H new ATOM 0 HG LEU A 24 5.855 8.144 -12.501 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.115 8.388 -13.480 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.149 8.633 -11.718 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.718 7.097 -12.414 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.489 6.786 -14.488 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.075 5.494 -13.414 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.344 5.904 -13.451 1.00 2.05 H new ATOM 356 N TYR A 25 7.460 8.952 -8.711 1.00 1.23 N ATOM 357 CA TYR A 25 8.469 10.035 -8.529 1.00 1.38 C ATOM 358 C TYR A 25 9.035 10.000 -7.108 1.00 1.34 C ATOM 359 O TYR A 25 8.526 9.317 -6.241 1.00 1.42 O ATOM 360 CB TYR A 25 7.808 11.393 -8.779 1.00 1.72 C ATOM 361 CG TYR A 25 7.153 11.879 -7.507 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.520 10.967 -6.654 1.00 1.62 C ATOM 363 CD2 TYR A 25 7.178 13.240 -7.184 1.00 1.22 C ATOM 364 CE1 TYR A 25 5.913 11.418 -5.476 1.00 1.57 C ATOM 365 CE2 TYR A 25 6.570 13.691 -6.005 1.00 1.27 C ATOM 366 CZ TYR A 25 5.938 12.780 -5.152 1.00 1.08 C ATOM 367 OH TYR A 25 5.339 13.224 -3.991 1.00 1.63 O ATOM 0 H TYR A 25 7.263 8.391 -7.882 1.00 1.23 H new ATOM 0 HA TYR A 25 9.283 9.883 -9.238 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.552 12.115 -9.116 1.00 1.72 H new ATOM 0 HB3 TYR A 25 7.066 11.307 -9.573 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.500 9.917 -6.905 1.00 1.62 H new ATOM 0 HD2 TYR A 25 7.666 13.943 -7.843 1.00 1.22 H new ATOM 0 HE1 TYR A 25 5.425 10.715 -4.817 1.00 1.57 H new ATOM 0 HE2 TYR A 25 6.589 14.741 -5.755 1.00 1.27 H new ATOM 0 HH TYR A 25 5.448 14.195 -3.917 1.00 1.63 H new ATOM 377 N GLY A 26 10.080 10.743 -6.866 1.00 1.33 N ATOM 378 CA GLY A 26 10.682 10.771 -5.503 1.00 1.32 C ATOM 379 C GLY A 26 11.870 9.809 -5.433 1.00 1.25 C ATOM 380 O GLY A 26 12.777 9.989 -4.646 1.00 1.70 O ATOM 0 H GLY A 26 10.544 11.334 -7.556 1.00 1.33 H new ATOM 0 HA2 GLY A 26 11.009 11.783 -5.262 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.934 10.492 -4.761 1.00 1.32 H new ATOM 384 N THR A 27 11.877 8.787 -6.246 1.00 0.93 N ATOM 385 CA THR A 27 13.016 7.824 -6.209 1.00 0.90 C ATOM 386 C THR A 27 13.852 7.976 -7.483 1.00 0.92 C ATOM 387 O THR A 27 14.044 9.066 -7.984 1.00 0.97 O ATOM 388 CB THR A 27 12.457 6.396 -6.101 1.00 0.88 C ATOM 389 OG1 THR A 27 13.208 5.503 -6.907 1.00 0.73 O ATOM 390 CG2 THR A 27 10.996 6.384 -6.556 1.00 0.95 C ATOM 0 H THR A 27 11.149 8.578 -6.929 1.00 0.93 H new ATOM 0 HA THR A 27 13.653 8.026 -5.347 1.00 0.90 H new ATOM 0 HB THR A 27 12.525 6.073 -5.062 1.00 0.88 H new ATOM 0 HG1 THR A 27 12.825 5.475 -7.809 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.599 5.372 -6.480 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.412 7.051 -5.922 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.934 6.721 -7.591 1.00 0.95 H new ATOM 398 N SER A 28 14.342 6.894 -8.013 1.00 1.12 N ATOM 399 CA SER A 28 15.159 6.967 -9.256 1.00 1.40 C ATOM 400 C SER A 28 14.243 6.811 -10.471 1.00 1.29 C ATOM 401 O SER A 28 13.414 5.925 -10.522 1.00 0.98 O ATOM 402 CB SER A 28 16.199 5.846 -9.252 1.00 1.80 C ATOM 403 OG SER A 28 15.538 4.594 -9.127 1.00 1.73 O ATOM 0 H SER A 28 14.212 5.955 -7.637 1.00 1.12 H new ATOM 0 HA SER A 28 15.668 7.930 -9.303 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.783 5.872 -10.172 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.898 5.985 -8.427 1.00 1.80 H new ATOM 0 HG SER A 28 15.818 4.002 -9.856 1.00 1.73 H new ATOM 409 N GLU A 29 14.386 7.661 -11.450 1.00 1.62 N ATOM 410 CA GLU A 29 13.521 7.549 -12.658 1.00 1.60 C ATOM 411 C GLU A 29 13.282 6.069 -12.972 1.00 1.23 C ATOM 412 O GLU A 29 14.136 5.405 -13.526 1.00 1.37 O ATOM 413 CB GLU A 29 14.221 8.212 -13.846 1.00 2.07 C ATOM 414 CG GLU A 29 15.690 7.783 -13.878 1.00 1.86 C ATOM 415 CD GLU A 29 16.087 7.428 -15.312 1.00 1.99 C ATOM 416 OE1 GLU A 29 16.359 8.341 -16.074 1.00 2.40 O ATOM 417 OE2 GLU A 29 16.112 6.249 -15.624 1.00 2.35 O ATOM 0 H GLU A 29 15.061 8.425 -11.466 1.00 1.62 H new ATOM 0 HA GLU A 29 12.567 8.044 -12.473 1.00 1.60 H new ATOM 0 HB2 GLU A 29 13.728 7.929 -14.776 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.150 9.297 -13.765 1.00 2.07 H new ATOM 0 HG2 GLU A 29 16.323 8.587 -13.503 1.00 1.86 H new ATOM 0 HG3 GLU A 29 15.844 6.925 -13.224 1.00 1.86 H new ATOM 424 N PRO A 30 12.132 5.549 -12.623 1.00 0.95 N ATOM 425 CA PRO A 30 11.794 4.121 -12.878 1.00 0.81 C ATOM 426 C PRO A 30 12.111 3.717 -14.320 1.00 0.80 C ATOM 427 O PRO A 30 12.219 4.555 -15.194 1.00 0.86 O ATOM 428 CB PRO A 30 10.288 4.044 -12.625 1.00 0.94 C ATOM 429 CG PRO A 30 9.965 5.192 -11.726 1.00 1.13 C ATOM 430 CD PRO A 30 11.032 6.264 -11.956 1.00 1.10 C ATOM 0 HA PRO A 30 12.370 3.447 -12.245 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.731 4.111 -13.560 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.018 3.096 -12.160 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.972 5.585 -11.946 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.958 4.874 -10.684 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.652 7.076 -12.576 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.359 6.707 -11.015 1.00 1.10 H new ATOM 438 N VAL A 31 12.268 2.447 -14.584 1.00 0.80 N ATOM 439 CA VAL A 31 12.584 2.031 -15.980 1.00 0.82 C ATOM 440 C VAL A 31 11.983 0.656 -16.283 1.00 0.78 C ATOM 441 O VAL A 31 12.386 -0.345 -15.722 1.00 0.84 O ATOM 442 CB VAL A 31 14.102 1.967 -16.156 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.444 1.955 -17.648 1.00 0.99 C ATOM 444 CG2 VAL A 31 14.743 3.191 -15.497 1.00 1.05 C ATOM 0 H VAL A 31 12.192 1.690 -13.904 1.00 0.80 H new ATOM 0 HA VAL A 31 12.156 2.760 -16.668 1.00 0.82 H new ATOM 0 HB VAL A 31 14.484 1.059 -15.689 1.00 0.92 H new ATOM 0 HG11 VAL A 31 15.526 1.909 -17.773 1.00 0.99 H new ATOM 0 HG12 VAL A 31 13.987 1.085 -18.119 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.063 2.863 -18.116 1.00 0.99 H new ATOM 0 HG21 VAL A 31 15.825 3.147 -15.622 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.361 4.098 -15.965 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.500 3.201 -14.434 1.00 1.05 H new ATOM 454 N PHE A 32 11.037 0.602 -17.186 1.00 0.74 N ATOM 455 CA PHE A 32 10.418 -0.705 -17.559 1.00 0.77 C ATOM 456 C PHE A 32 11.405 -1.498 -18.417 1.00 0.87 C ATOM 457 O PHE A 32 11.304 -1.540 -19.626 1.00 1.19 O ATOM 458 CB PHE A 32 9.124 -0.462 -18.336 1.00 0.78 C ATOM 459 CG PHE A 32 9.199 0.857 -19.067 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.403 1.279 -19.645 1.00 1.63 C ATOM 461 CD2 PHE A 32 8.057 1.662 -19.164 1.00 1.50 C ATOM 462 CE1 PHE A 32 10.464 2.506 -20.318 1.00 1.82 C ATOM 463 CE2 PHE A 32 8.117 2.888 -19.836 1.00 1.78 C ATOM 464 CZ PHE A 32 9.321 3.310 -20.414 1.00 1.56 C ATOM 0 H PHE A 32 10.665 1.411 -17.683 1.00 0.74 H new ATOM 0 HA PHE A 32 10.183 -1.272 -16.658 1.00 0.77 H new ATOM 0 HB2 PHE A 32 8.960 -1.272 -19.047 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.275 -0.460 -17.653 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.284 0.659 -19.572 1.00 1.63 H new ATOM 0 HD2 PHE A 32 7.128 1.336 -18.719 1.00 1.50 H new ATOM 0 HE1 PHE A 32 11.392 2.832 -20.763 1.00 1.82 H new ATOM 0 HE2 PHE A 32 7.236 3.508 -19.909 1.00 1.78 H new ATOM 0 HZ PHE A 32 9.368 4.256 -20.934 1.00 1.56 H new ATOM 474 N ALA A 33 12.365 -2.123 -17.790 1.00 0.77 N ATOM 475 CA ALA A 33 13.374 -2.909 -18.557 1.00 0.84 C ATOM 476 C ALA A 33 12.670 -3.958 -19.419 1.00 0.67 C ATOM 477 O ALA A 33 11.633 -3.705 -20.002 1.00 0.92 O ATOM 478 CB ALA A 33 14.322 -3.608 -17.581 1.00 1.17 C ATOM 0 H ALA A 33 12.494 -2.123 -16.778 1.00 0.77 H new ATOM 0 HA ALA A 33 13.940 -2.235 -19.201 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.060 -4.183 -18.140 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.830 -2.862 -16.970 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.752 -4.278 -16.937 1.00 1.17 H new ATOM 484 N ASP A 34 13.228 -5.135 -19.506 1.00 0.77 N ATOM 485 CA ASP A 34 12.597 -6.203 -20.333 1.00 0.85 C ATOM 486 C ASP A 34 11.075 -6.091 -20.234 1.00 0.84 C ATOM 487 O ASP A 34 10.407 -5.719 -21.178 1.00 0.99 O ATOM 488 CB ASP A 34 13.043 -7.573 -19.822 1.00 1.13 C ATOM 489 CG ASP A 34 14.556 -7.716 -19.995 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.028 -7.508 -21.100 1.00 2.21 O ATOM 491 OD2 ASP A 34 15.217 -8.031 -19.019 1.00 1.78 O ATOM 0 H ASP A 34 14.095 -5.403 -19.040 1.00 0.77 H new ATOM 0 HA ASP A 34 12.903 -6.087 -21.373 1.00 0.85 H new ATOM 0 HB2 ASP A 34 12.774 -7.686 -18.772 1.00 1.13 H new ATOM 0 HB3 ASP A 34 12.528 -8.362 -20.369 1.00 1.13 H new ATOM 496 N GLY A 35 10.520 -6.412 -19.097 1.00 0.84 N ATOM 497 CA GLY A 35 9.042 -6.324 -18.940 1.00 1.02 C ATOM 498 C GLY A 35 8.700 -5.957 -17.496 1.00 0.90 C ATOM 499 O GLY A 35 7.690 -6.373 -16.964 1.00 1.19 O ATOM 0 H GLY A 35 11.027 -6.731 -18.271 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.638 -5.575 -19.621 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.581 -7.276 -19.203 1.00 1.02 H new ATOM 503 N ARG A 36 9.528 -5.176 -16.856 1.00 0.66 N ATOM 504 CA ARG A 36 9.238 -4.785 -15.449 1.00 0.63 C ATOM 505 C ARG A 36 9.896 -3.441 -15.143 1.00 0.62 C ATOM 506 O ARG A 36 10.913 -3.094 -15.709 1.00 0.68 O ATOM 507 CB ARG A 36 9.772 -5.860 -14.499 1.00 0.70 C ATOM 508 CG ARG A 36 11.283 -5.688 -14.300 1.00 1.16 C ATOM 509 CD ARG A 36 11.993 -7.047 -14.314 1.00 1.40 C ATOM 510 NE ARG A 36 11.044 -8.150 -13.966 1.00 2.02 N ATOM 511 CZ ARG A 36 10.255 -8.063 -12.930 1.00 2.19 C ATOM 512 NH1 ARG A 36 10.358 -7.060 -12.105 1.00 2.28 N ATOM 513 NH2 ARG A 36 9.379 -9.003 -12.701 1.00 2.91 N ATOM 0 H ARG A 36 10.389 -4.794 -17.246 1.00 0.66 H new ATOM 0 HA ARG A 36 8.161 -4.691 -15.312 1.00 0.63 H new ATOM 0 HB2 ARG A 36 9.261 -5.793 -13.538 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.561 -6.850 -14.903 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.688 -5.053 -15.088 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.474 -5.183 -13.353 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.421 -7.228 -15.300 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.820 -7.037 -13.605 1.00 1.40 H new ATOM 0 HE ARG A 36 11.013 -8.986 -14.550 1.00 2.02 H new ATOM 0 HH11 ARG A 36 11.059 -6.336 -12.267 1.00 2.28 H new ATOM 0 HH12 ARG A 36 9.738 -6.998 -11.297 1.00 2.28 H new ATOM 0 HH21 ARG A 36 9.313 -9.803 -13.331 1.00 2.91 H new ATOM 0 HH22 ARG A 36 8.761 -8.938 -11.892 1.00 2.91 H new ATOM 527 N MET A 37 9.321 -2.678 -14.254 1.00 0.63 N ATOM 528 CA MET A 37 9.909 -1.351 -13.920 1.00 0.67 C ATOM 529 C MET A 37 10.513 -1.392 -12.520 1.00 0.68 C ATOM 530 O MET A 37 9.904 -1.861 -11.579 1.00 0.67 O ATOM 531 CB MET A 37 8.814 -0.282 -13.977 1.00 0.71 C ATOM 532 CG MET A 37 9.283 0.978 -13.247 1.00 0.75 C ATOM 533 SD MET A 37 8.044 2.283 -13.446 1.00 0.88 S ATOM 534 CE MET A 37 6.992 1.809 -12.052 1.00 0.93 C ATOM 0 H MET A 37 8.470 -2.917 -13.745 1.00 0.63 H new ATOM 0 HA MET A 37 10.692 -1.110 -14.640 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.577 -0.046 -15.014 1.00 0.71 H new ATOM 0 HB3 MET A 37 7.900 -0.660 -13.519 1.00 0.71 H new ATOM 0 HG2 MET A 37 9.435 0.764 -12.189 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.242 1.308 -13.647 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.085 2.413 -12.059 1.00 0.93 H new ATOM 0 HE2 MET A 37 6.727 0.755 -12.138 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.530 1.972 -11.118 1.00 0.93 H new ATOM 544 N CYS A 38 11.717 -0.911 -12.381 1.00 0.73 N ATOM 545 CA CYS A 38 12.367 -0.929 -11.044 1.00 0.78 C ATOM 546 C CYS A 38 12.795 0.483 -10.646 1.00 0.89 C ATOM 547 O CYS A 38 13.004 1.344 -11.480 1.00 0.88 O ATOM 548 CB CYS A 38 13.593 -1.845 -11.085 1.00 0.79 C ATOM 549 SG CYS A 38 13.101 -3.482 -11.677 1.00 1.06 S ATOM 0 H CYS A 38 12.276 -0.508 -13.133 1.00 0.73 H new ATOM 0 HA CYS A 38 11.655 -1.303 -10.308 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.354 -1.423 -11.741 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.036 -1.923 -10.092 1.00 0.79 H new ATOM 554 N VAL A 39 12.928 0.714 -9.370 1.00 1.04 N ATOM 555 CA VAL A 39 13.346 2.055 -8.879 1.00 1.18 C ATOM 556 C VAL A 39 14.478 1.875 -7.866 1.00 1.37 C ATOM 557 O VAL A 39 14.376 1.089 -6.943 1.00 1.26 O ATOM 558 CB VAL A 39 12.161 2.742 -8.197 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.258 3.371 -9.257 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.364 1.709 -7.398 1.00 1.26 C ATOM 0 H VAL A 39 12.763 0.022 -8.639 1.00 1.04 H new ATOM 0 HA VAL A 39 13.685 2.667 -9.715 1.00 1.18 H new ATOM 0 HB VAL A 39 12.528 3.518 -7.525 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.414 3.861 -8.772 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.825 4.107 -9.828 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.890 2.595 -9.929 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.520 2.198 -6.912 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.997 0.934 -8.070 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.007 1.259 -6.642 1.00 1.26 H new ATOM 570 N ASP A 40 15.559 2.587 -8.029 1.00 1.71 N ATOM 571 CA ASP A 40 16.693 2.444 -7.074 1.00 1.97 C ATOM 572 C ASP A 40 16.335 3.116 -5.747 1.00 1.61 C ATOM 573 O ASP A 40 16.265 4.326 -5.652 1.00 2.31 O ATOM 574 CB ASP A 40 17.940 3.110 -7.661 1.00 3.21 C ATOM 575 CG ASP A 40 18.103 2.690 -9.123 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.199 2.956 -9.899 1.00 4.39 O ATOM 577 OD2 ASP A 40 19.128 2.111 -9.443 1.00 4.79 O ATOM 0 H ASP A 40 15.706 3.260 -8.781 1.00 1.71 H new ATOM 0 HA ASP A 40 16.890 1.386 -6.902 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.853 4.194 -7.591 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.822 2.823 -7.089 1.00 3.21 H new ATOM 582 N LEU A 41 16.113 2.343 -4.717 1.00 1.25 N ATOM 583 CA LEU A 41 15.768 2.945 -3.401 1.00 1.86 C ATOM 584 C LEU A 41 16.825 2.595 -2.345 1.00 1.67 C ATOM 585 O LEU A 41 16.503 2.424 -1.186 1.00 1.20 O ATOM 586 CB LEU A 41 14.406 2.418 -2.941 1.00 2.45 C ATOM 587 CG LEU A 41 13.296 3.341 -3.447 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.487 4.740 -2.861 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.352 3.417 -4.974 1.00 3.54 C ATOM 0 H LEU A 41 16.156 1.324 -4.732 1.00 1.25 H new ATOM 0 HA LEU A 41 15.733 4.028 -3.516 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.251 1.407 -3.318 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.376 2.361 -1.853 1.00 2.45 H new ATOM 0 HG LEU A 41 12.328 2.947 -3.137 1.00 2.88 H new ATOM 0 HD11 LEU A 41 12.696 5.397 -3.222 1.00 2.65 H new ATOM 0 HD12 LEU A 41 13.447 4.687 -1.773 1.00 2.65 H new ATOM 0 HD13 LEU A 41 14.455 5.135 -3.169 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.561 4.075 -5.335 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.320 3.810 -5.283 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.214 2.420 -5.393 1.00 3.54 H new ATOM 601 N PRO A 42 18.078 2.506 -2.723 1.00 2.30 N ATOM 602 CA PRO A 42 19.184 2.200 -1.769 1.00 2.32 C ATOM 603 C PRO A 42 19.643 3.451 -1.012 1.00 1.85 C ATOM 604 O PRO A 42 20.206 3.373 0.061 1.00 2.18 O ATOM 605 CB PRO A 42 20.303 1.715 -2.687 1.00 3.11 C ATOM 606 CG PRO A 42 20.106 2.497 -3.941 1.00 3.74 C ATOM 607 CD PRO A 42 18.593 2.672 -4.096 1.00 3.24 C ATOM 0 HA PRO A 42 18.886 1.481 -1.006 1.00 2.32 H new ATOM 0 HB2 PRO A 42 21.285 1.900 -2.251 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.232 0.643 -2.870 1.00 3.11 H new ATOM 0 HG2 PRO A 42 20.606 3.463 -3.881 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.528 1.972 -4.798 1.00 3.74 H new ATOM 0 HD2 PRO A 42 18.343 3.652 -4.501 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.172 1.930 -4.774 1.00 3.24 H new ATOM 615 N GLY A 43 19.414 4.601 -1.587 1.00 1.69 N ATOM 616 CA GLY A 43 19.834 5.882 -0.947 1.00 1.65 C ATOM 617 C GLY A 43 19.903 5.740 0.575 1.00 1.62 C ATOM 618 O GLY A 43 20.883 5.273 1.122 1.00 2.03 O ATOM 0 H GLY A 43 18.946 4.709 -2.487 1.00 1.69 H new ATOM 0 HA2 GLY A 43 20.809 6.182 -1.332 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.130 6.672 -1.210 1.00 1.65 H new ATOM 622 N GLY A 44 18.877 6.156 1.264 1.00 1.61 N ATOM 623 CA GLY A 44 18.881 6.069 2.749 1.00 2.13 C ATOM 624 C GLY A 44 17.921 7.127 3.298 1.00 2.06 C ATOM 625 O GLY A 44 18.288 7.959 4.104 1.00 2.41 O ATOM 0 H GLY A 44 18.031 6.555 0.858 1.00 1.61 H new ATOM 0 HA2 GLY A 44 18.573 5.074 3.071 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.887 6.233 3.136 1.00 2.13 H new ATOM 629 N GLN A 45 16.694 7.109 2.849 1.00 1.86 N ATOM 630 CA GLN A 45 15.704 8.118 3.323 1.00 1.96 C ATOM 631 C GLN A 45 14.813 7.507 4.406 1.00 1.90 C ATOM 632 O GLN A 45 14.011 6.634 4.143 1.00 1.92 O ATOM 633 CB GLN A 45 14.836 8.554 2.142 1.00 2.10 C ATOM 634 CG GLN A 45 15.485 9.750 1.442 1.00 2.29 C ATOM 635 CD GLN A 45 14.842 9.947 0.068 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.797 10.558 -0.045 1.00 2.96 O ATOM 637 NE2 GLN A 45 15.426 9.454 -0.991 1.00 2.07 N ATOM 0 H GLN A 45 16.334 6.436 2.172 1.00 1.86 H new ATOM 0 HA GLN A 45 16.232 8.977 3.738 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.718 7.729 1.440 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.838 8.821 2.490 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.361 10.649 2.046 1.00 2.29 H new ATOM 0 HG3 GLN A 45 16.557 9.584 1.333 1.00 2.29 H new ATOM 0 HE21 GLN A 45 16.303 8.941 -0.898 1.00 2.07 H new ATOM 0 HE22 GLN A 45 15.005 9.582 -1.911 1.00 2.07 H new ATOM 646 N GLY A 46 14.941 7.966 5.621 1.00 2.04 N ATOM 647 CA GLY A 46 14.094 7.415 6.719 1.00 2.08 C ATOM 648 C GLY A 46 12.721 8.088 6.690 1.00 2.01 C ATOM 649 O GLY A 46 12.273 8.650 7.670 1.00 2.08 O ATOM 0 H GLY A 46 15.594 8.698 5.901 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.985 6.337 6.603 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.574 7.585 7.683 1.00 2.08 H new ATOM 653 N ASN A 47 12.048 8.037 5.573 1.00 2.09 N ATOM 654 CA ASN A 47 10.703 8.673 5.481 1.00 2.14 C ATOM 655 C ASN A 47 10.001 8.198 4.205 1.00 1.80 C ATOM 656 O ASN A 47 10.220 8.731 3.135 1.00 1.63 O ATOM 657 CB ASN A 47 10.861 10.195 5.438 1.00 2.60 C ATOM 658 CG ASN A 47 12.193 10.557 4.777 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.894 9.696 4.285 1.00 2.65 O ATOM 660 ND2 ASN A 47 12.574 11.804 4.747 1.00 3.61 N ATOM 0 H ASN A 47 12.372 7.582 4.719 1.00 2.09 H new ATOM 0 HA ASN A 47 10.108 8.393 6.350 1.00 2.14 H new ATOM 0 HB2 ASN A 47 10.036 10.640 4.883 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.823 10.603 6.448 1.00 2.60 H new ATOM 0 HD21 ASN A 47 13.461 12.056 4.310 1.00 3.61 H new ATOM 0 HD22 ASN A 47 11.985 12.527 5.160 1.00 3.61 H new ATOM 667 N PRO A 48 9.166 7.199 4.317 1.00 1.85 N ATOM 668 CA PRO A 48 8.420 6.637 3.154 1.00 1.74 C ATOM 669 C PRO A 48 7.761 7.724 2.300 1.00 1.36 C ATOM 670 O PRO A 48 7.759 7.655 1.087 1.00 1.19 O ATOM 671 CB PRO A 48 7.358 5.745 3.798 1.00 2.19 C ATOM 672 CG PRO A 48 7.923 5.351 5.122 1.00 2.36 C ATOM 673 CD PRO A 48 8.839 6.493 5.567 1.00 2.21 C ATOM 0 HA PRO A 48 9.082 6.104 2.472 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.415 6.279 3.916 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.153 4.870 3.182 1.00 2.19 H new ATOM 0 HG2 PRO A 48 7.127 5.187 5.849 1.00 2.36 H new ATOM 0 HG3 PRO A 48 8.479 4.417 5.043 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.339 7.151 6.278 1.00 2.21 H new ATOM 0 HD3 PRO A 48 9.736 6.116 6.058 1.00 2.21 H new ATOM 681 N TRP A 49 7.200 8.725 2.922 1.00 1.49 N ATOM 682 CA TRP A 49 6.544 9.810 2.138 1.00 1.39 C ATOM 683 C TRP A 49 7.591 10.519 1.276 1.00 1.17 C ATOM 684 O TRP A 49 7.692 11.729 1.275 1.00 1.45 O ATOM 685 CB TRP A 49 5.903 10.817 3.097 1.00 1.79 C ATOM 686 CG TRP A 49 6.855 11.126 4.207 1.00 1.85 C ATOM 687 CD1 TRP A 49 7.734 12.153 4.213 1.00 1.69 C ATOM 688 CD2 TRP A 49 7.036 10.424 5.473 1.00 2.46 C ATOM 689 NE1 TRP A 49 8.445 12.128 5.400 1.00 1.97 N ATOM 690 CE2 TRP A 49 8.051 11.080 6.209 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.426 9.295 6.046 1.00 3.27 C ATOM 692 CZ2 TRP A 49 8.446 10.631 7.470 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.820 8.840 7.313 1.00 3.87 C ATOM 694 CH2 TRP A 49 7.827 9.506 8.024 1.00 3.62 C ATOM 0 H TRP A 49 7.167 8.838 3.935 1.00 1.49 H new ATOM 0 HA TRP A 49 5.775 9.381 1.496 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.644 11.730 2.562 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.976 10.410 3.502 1.00 1.79 H new ATOM 0 HD1 TRP A 49 7.861 12.876 3.420 1.00 1.69 H new ATOM 0 HE1 TRP A 49 9.171 12.801 5.647 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.648 8.774 5.507 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 9.223 11.148 8.013 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 6.344 7.971 7.743 1.00 3.87 H new ATOM 0 HH2 TRP A 49 8.125 9.151 8.999 1.00 3.62 H new ATOM 705 N ASP A 50 8.371 9.774 0.541 1.00 1.07 N ATOM 706 CA ASP A 50 9.409 10.407 -0.318 1.00 1.36 C ATOM 707 C ASP A 50 9.362 9.793 -1.720 1.00 1.21 C ATOM 708 O ASP A 50 9.188 10.484 -2.704 1.00 1.27 O ATOM 709 CB ASP A 50 10.792 10.171 0.295 1.00 1.73 C ATOM 710 CG ASP A 50 11.129 11.318 1.250 1.00 2.02 C ATOM 711 OD1 ASP A 50 10.349 11.555 2.157 1.00 2.14 O ATOM 712 OD2 ASP A 50 12.161 11.940 1.056 1.00 2.38 O ATOM 0 H ASP A 50 8.334 8.756 0.499 1.00 1.07 H new ATOM 0 HA ASP A 50 9.217 11.478 -0.386 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.807 9.222 0.830 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.544 10.106 -0.491 1.00 1.73 H new ATOM 717 N ALA A 51 9.520 8.500 -1.821 1.00 1.09 N ATOM 718 CA ALA A 51 9.489 7.849 -3.162 1.00 1.02 C ATOM 719 C ALA A 51 8.389 6.787 -3.195 1.00 0.89 C ATOM 720 O ALA A 51 8.111 6.138 -2.205 1.00 0.87 O ATOM 721 CB ALA A 51 10.840 7.187 -3.436 1.00 1.11 C ATOM 0 H ALA A 51 9.669 7.868 -1.034 1.00 1.09 H new ATOM 0 HA ALA A 51 9.287 8.602 -3.924 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.820 6.710 -4.416 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.626 7.942 -3.416 1.00 1.11 H new ATOM 0 HB3 ALA A 51 11.039 6.436 -2.671 1.00 1.11 H new ATOM 727 N GLY A 52 7.761 6.599 -4.325 1.00 0.86 N ATOM 728 CA GLY A 52 6.685 5.573 -4.407 1.00 0.86 C ATOM 729 C GLY A 52 5.827 5.800 -5.653 1.00 0.87 C ATOM 730 O GLY A 52 6.003 6.759 -6.382 1.00 0.94 O ATOM 0 H GLY A 52 7.946 7.109 -5.189 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.125 4.576 -4.437 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.061 5.619 -3.514 1.00 0.86 H new ATOM 734 N LEU A 53 4.894 4.916 -5.896 1.00 0.83 N ATOM 735 CA LEU A 53 4.005 5.057 -7.082 1.00 0.84 C ATOM 736 C LEU A 53 2.666 5.642 -6.626 1.00 0.79 C ATOM 737 O LEU A 53 2.380 5.703 -5.446 1.00 0.78 O ATOM 738 CB LEU A 53 3.760 3.684 -7.717 1.00 0.85 C ATOM 739 CG LEU A 53 5.050 3.149 -8.345 1.00 0.90 C ATOM 740 CD1 LEU A 53 5.436 4.023 -9.538 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.179 3.168 -7.311 1.00 0.96 C ATOM 0 H LEU A 53 4.711 4.096 -5.317 1.00 0.83 H new ATOM 0 HA LEU A 53 4.476 5.712 -7.814 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.399 2.986 -6.962 1.00 0.85 H new ATOM 0 HB3 LEU A 53 2.983 3.761 -8.477 1.00 0.85 H new ATOM 0 HG LEU A 53 4.888 2.124 -8.680 1.00 0.90 H new ATOM 0 HD11 LEU A 53 6.354 3.643 -9.986 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.636 4.002 -10.278 1.00 0.90 H new ATOM 0 HD13 LEU A 53 5.593 5.048 -9.202 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.094 2.786 -7.764 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.342 4.190 -6.969 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.906 2.541 -6.462 1.00 0.96 H new ATOM 753 N VAL A 54 1.838 6.066 -7.540 1.00 0.79 N ATOM 754 CA VAL A 54 0.522 6.637 -7.136 1.00 0.78 C ATOM 755 C VAL A 54 -0.487 6.474 -8.274 1.00 0.80 C ATOM 756 O VAL A 54 -0.124 6.373 -9.428 1.00 0.90 O ATOM 757 CB VAL A 54 0.682 8.124 -6.810 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.217 8.485 -5.627 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.140 8.420 -6.448 1.00 0.92 C ATOM 0 H VAL A 54 2.014 6.042 -8.544 1.00 0.79 H new ATOM 0 HA VAL A 54 0.162 6.107 -6.254 1.00 0.78 H new ATOM 0 HB VAL A 54 0.398 8.716 -7.680 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.104 9.544 -5.394 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.256 8.279 -5.884 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.067 7.890 -4.759 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.250 9.480 -6.217 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.427 7.827 -5.579 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.783 8.164 -7.290 1.00 0.92 H new ATOM 769 N TYR A 55 -1.755 6.451 -7.957 1.00 0.78 N ATOM 770 CA TYR A 55 -2.788 6.300 -9.021 1.00 0.82 C ATOM 771 C TYR A 55 -4.182 6.360 -8.390 1.00 0.81 C ATOM 772 O TYR A 55 -4.380 5.963 -7.259 1.00 1.06 O ATOM 773 CB TYR A 55 -2.596 4.953 -9.726 1.00 0.83 C ATOM 774 CG TYR A 55 -3.603 4.795 -10.844 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.742 5.790 -11.821 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.392 3.639 -10.908 1.00 1.54 C ATOM 777 CE1 TYR A 55 -4.668 5.628 -12.857 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.319 3.479 -11.945 1.00 1.71 C ATOM 779 CZ TYR A 55 -5.455 4.474 -12.921 1.00 1.37 C ATOM 780 OH TYR A 55 -6.366 4.321 -13.945 1.00 1.61 O ATOM 0 H TYR A 55 -2.119 6.530 -7.007 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.688 7.106 -9.748 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.585 4.886 -10.127 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.709 4.140 -9.008 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.134 6.682 -11.774 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.285 2.871 -10.157 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -4.775 6.396 -13.609 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -5.929 2.589 -11.992 1.00 1.71 H new ATOM 0 HH TYR A 55 -6.333 5.105 -14.532 1.00 1.61 H new ATOM 790 N ASN A 56 -5.148 6.856 -9.112 1.00 0.93 N ATOM 791 CA ASN A 56 -6.525 6.947 -8.555 1.00 1.01 C ATOM 792 C ASN A 56 -7.380 5.807 -9.113 1.00 1.28 C ATOM 793 O ASN A 56 -6.994 5.127 -10.043 1.00 2.04 O ATOM 794 CB ASN A 56 -7.143 8.289 -8.948 1.00 1.81 C ATOM 795 CG ASN A 56 -6.828 9.331 -7.872 1.00 2.22 C ATOM 796 OD1 ASN A 56 -5.877 9.095 -7.011 1.00 2.78 O flip ATOM 797 ND2 ASN A 56 -7.455 10.371 -7.816 1.00 2.47 N flip ATOM 0 H ASN A 56 -5.042 7.203 -10.065 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.484 6.869 -7.469 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.749 8.615 -9.911 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.222 8.185 -9.063 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -8.199 10.555 -8.490 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -7.237 11.059 -7.096 1.00 2.47 H new ATOM 804 N GLY A 57 -8.539 5.595 -8.552 1.00 1.18 N ATOM 805 CA GLY A 57 -9.419 4.501 -9.052 1.00 1.77 C ATOM 806 C GLY A 57 -9.315 3.292 -8.120 1.00 1.64 C ATOM 807 O GLY A 57 -8.593 2.351 -8.386 1.00 2.48 O ATOM 0 H GLY A 57 -8.914 6.131 -7.770 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.452 4.846 -9.103 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.127 4.219 -10.064 1.00 1.77 H new ATOM 811 N VAL A 58 -10.031 3.308 -7.030 1.00 1.34 N ATOM 812 CA VAL A 58 -9.975 2.159 -6.082 1.00 1.99 C ATOM 813 C VAL A 58 -11.177 2.221 -5.137 1.00 1.78 C ATOM 814 O VAL A 58 -11.028 2.310 -3.934 1.00 1.95 O ATOM 815 CB VAL A 58 -8.682 2.231 -5.267 1.00 2.93 C ATOM 816 CG1 VAL A 58 -7.499 1.816 -6.143 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.471 3.663 -4.773 1.00 2.88 C ATOM 0 H VAL A 58 -10.653 4.068 -6.754 1.00 1.34 H new ATOM 0 HA VAL A 58 -9.999 1.224 -6.642 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.754 1.557 -4.413 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -6.579 1.868 -5.561 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -7.648 0.795 -6.496 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -7.426 2.488 -6.998 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.550 3.716 -4.192 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.400 4.336 -5.628 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -9.312 3.960 -4.147 1.00 2.88 H new ATOM 827 N PRO A 59 -12.361 2.175 -5.685 1.00 1.85 N ATOM 828 CA PRO A 59 -13.621 2.227 -4.893 1.00 1.84 C ATOM 829 C PRO A 59 -13.592 1.276 -3.693 1.00 1.90 C ATOM 830 O PRO A 59 -12.953 0.243 -3.722 1.00 2.05 O ATOM 831 CB PRO A 59 -14.696 1.794 -5.892 1.00 2.07 C ATOM 832 CG PRO A 59 -14.149 2.138 -7.237 1.00 2.39 C ATOM 833 CD PRO A 59 -12.623 2.067 -7.130 1.00 2.40 C ATOM 0 HA PRO A 59 -13.792 3.217 -4.470 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -14.899 0.726 -5.812 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.637 2.312 -5.706 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.516 1.443 -7.992 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.469 3.135 -7.540 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.238 1.132 -7.537 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.146 2.876 -7.684 1.00 2.40 H new ATOM 841 N VAL A 60 -14.279 1.617 -2.637 1.00 2.10 N ATOM 842 CA VAL A 60 -14.290 0.735 -1.437 1.00 2.46 C ATOM 843 C VAL A 60 -15.669 0.787 -0.777 1.00 2.53 C ATOM 844 O VAL A 60 -16.142 1.837 -0.388 1.00 2.50 O ATOM 845 CB VAL A 60 -13.231 1.211 -0.442 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.757 0.030 0.406 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.042 1.797 -1.207 1.00 2.93 C ATOM 0 H VAL A 60 -14.833 2.469 -2.554 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.070 -0.289 -1.739 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.660 1.974 0.207 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.002 0.371 1.115 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.603 -0.390 0.951 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.328 -0.734 -0.242 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.286 2.137 -0.499 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.614 1.033 -1.856 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.378 2.639 -1.812 1.00 2.93 H new ATOM 857 N GLY A 61 -16.319 -0.338 -0.647 1.00 2.83 N ATOM 858 CA GLY A 61 -17.667 -0.350 -0.013 1.00 3.05 C ATOM 859 C GLY A 61 -17.533 -0.725 1.465 1.00 2.72 C ATOM 860 O GLY A 61 -17.497 -1.886 1.820 1.00 2.61 O ATOM 0 H GLY A 61 -15.974 -1.248 -0.952 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.135 0.630 -0.110 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.314 -1.064 -0.523 1.00 3.05 H new ATOM 864 N GLU A 62 -17.460 0.250 2.330 1.00 3.03 N ATOM 865 CA GLU A 62 -17.328 -0.051 3.783 1.00 2.96 C ATOM 866 C GLU A 62 -18.192 -1.265 4.132 1.00 2.29 C ATOM 867 O GLU A 62 -19.399 -1.239 4.000 1.00 2.02 O ATOM 868 CB GLU A 62 -17.795 1.157 4.598 1.00 4.03 C ATOM 869 CG GLU A 62 -18.250 0.694 5.984 1.00 4.32 C ATOM 870 CD GLU A 62 -18.366 1.902 6.914 1.00 5.32 C ATOM 871 OE1 GLU A 62 -18.715 2.967 6.430 1.00 6.05 O ATOM 872 OE2 GLU A 62 -18.103 1.744 8.095 1.00 5.54 O ATOM 0 H GLU A 62 -17.486 1.242 2.093 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.285 -0.267 4.017 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -16.985 1.880 4.692 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -18.614 1.661 4.084 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.211 0.184 5.911 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -17.538 -0.024 6.391 1.00 4.32 H new ATOM 879 N GLY A 63 -17.582 -2.331 4.577 1.00 2.54 N ATOM 880 CA GLY A 63 -18.370 -3.544 4.934 1.00 2.46 C ATOM 881 C GLY A 63 -17.784 -4.766 4.224 1.00 2.21 C ATOM 882 O GLY A 63 -17.765 -5.856 4.759 1.00 2.29 O ATOM 0 H GLY A 63 -16.574 -2.413 4.708 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -18.354 -3.696 6.013 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.413 -3.410 4.647 1.00 2.46 H new ATOM 886 N GLU A 64 -17.307 -4.594 3.022 1.00 2.23 N ATOM 887 CA GLU A 64 -16.725 -5.744 2.278 1.00 2.27 C ATOM 888 C GLU A 64 -15.199 -5.698 2.379 1.00 2.19 C ATOM 889 O GLU A 64 -14.630 -4.748 2.877 1.00 2.81 O ATOM 890 CB GLU A 64 -17.142 -5.660 0.809 1.00 2.70 C ATOM 891 CG GLU A 64 -18.456 -6.418 0.605 1.00 3.18 C ATOM 892 CD GLU A 64 -19.091 -5.993 -0.720 1.00 3.59 C ATOM 893 OE1 GLU A 64 -18.386 -5.422 -1.535 1.00 3.92 O ATOM 894 OE2 GLU A 64 -20.271 -6.246 -0.896 1.00 4.03 O ATOM 0 H GLU A 64 -17.296 -3.705 2.523 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.088 -6.678 2.708 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.262 -4.618 0.513 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.364 -6.084 0.175 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.272 -7.492 0.604 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.138 -6.212 1.430 1.00 3.18 H new ATOM 901 N SER A 65 -14.533 -6.718 1.912 1.00 1.71 N ATOM 902 CA SER A 65 -13.044 -6.730 1.982 1.00 1.83 C ATOM 903 C SER A 65 -12.466 -6.675 0.566 1.00 1.49 C ATOM 904 O SER A 65 -12.943 -7.335 -0.336 1.00 1.87 O ATOM 905 CB SER A 65 -12.577 -8.011 2.675 1.00 2.37 C ATOM 906 OG SER A 65 -13.490 -8.344 3.711 1.00 2.91 O ATOM 0 H SER A 65 -14.955 -7.543 1.485 1.00 1.71 H new ATOM 0 HA SER A 65 -12.700 -5.865 2.548 1.00 1.83 H new ATOM 0 HB2 SER A 65 -12.514 -8.826 1.954 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.577 -7.872 3.086 1.00 2.37 H new ATOM 0 HG SER A 65 -13.194 -9.166 4.156 1.00 2.91 H new ATOM 912 N TYR A 66 -11.443 -5.890 0.362 1.00 1.14 N ATOM 913 CA TYR A 66 -10.840 -5.789 -0.993 1.00 1.22 C ATOM 914 C TYR A 66 -9.508 -6.543 -1.016 1.00 1.63 C ATOM 915 O TYR A 66 -9.099 -7.129 -0.033 1.00 2.01 O ATOM 916 CB TYR A 66 -10.599 -4.317 -1.322 1.00 1.29 C ATOM 917 CG TYR A 66 -11.889 -3.691 -1.795 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.845 -3.273 -0.862 1.00 1.47 C ATOM 919 CD2 TYR A 66 -12.130 -3.530 -3.165 1.00 1.79 C ATOM 920 CE1 TYR A 66 -14.042 -2.694 -1.299 1.00 1.86 C ATOM 921 CE2 TYR A 66 -13.328 -2.952 -3.601 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.284 -2.534 -2.668 1.00 1.87 C ATOM 923 OH TYR A 66 -15.464 -1.963 -3.098 1.00 2.38 O ATOM 0 H TYR A 66 -11.000 -5.314 1.078 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.514 -6.226 -1.730 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.229 -3.792 -0.441 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.834 -4.226 -2.093 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.659 -3.397 0.195 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -11.392 -3.852 -3.885 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -14.779 -2.371 -0.579 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -13.515 -2.829 -4.658 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.471 -1.925 -4.077 1.00 2.38 H new ATOM 933 N VAL A 67 -8.829 -6.535 -2.131 1.00 1.69 N ATOM 934 CA VAL A 67 -7.527 -7.256 -2.214 1.00 2.07 C ATOM 935 C VAL A 67 -6.615 -6.570 -3.235 1.00 2.20 C ATOM 936 O VAL A 67 -7.052 -6.138 -4.283 1.00 2.22 O ATOM 937 CB VAL A 67 -7.773 -8.703 -2.644 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.805 -9.628 -1.903 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.213 -9.095 -2.305 1.00 2.54 C ATOM 0 H VAL A 67 -9.119 -6.061 -2.986 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.046 -7.240 -1.236 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.612 -8.796 -3.718 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.981 -10.659 -2.210 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.779 -9.348 -2.142 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.965 -9.537 -0.829 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.391 -10.126 -2.611 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.372 -9.002 -1.231 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.903 -8.436 -2.832 1.00 2.54 H new ATOM 949 N LEU A 68 -5.347 -6.474 -2.937 1.00 2.36 N ATOM 950 CA LEU A 68 -4.396 -5.827 -3.885 1.00 2.59 C ATOM 951 C LEU A 68 -3.371 -6.864 -4.348 1.00 2.17 C ATOM 952 O LEU A 68 -2.653 -7.436 -3.551 1.00 2.07 O ATOM 953 CB LEU A 68 -3.675 -4.678 -3.173 1.00 3.01 C ATOM 954 CG LEU A 68 -3.314 -3.581 -4.179 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.436 -2.543 -4.227 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.014 -2.904 -3.739 1.00 3.61 C ATOM 0 H LEU A 68 -4.928 -6.818 -2.073 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.938 -5.437 -4.746 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.312 -4.268 -2.389 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.772 -5.049 -2.688 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.184 -4.020 -5.168 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.179 -1.762 -4.943 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.365 -3.025 -4.533 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.565 -2.101 -3.239 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.752 -2.122 -4.452 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.149 -2.464 -2.751 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.214 -3.643 -3.701 1.00 3.61 H new ATOM 968 N SER A 69 -3.295 -7.118 -5.625 1.00 1.98 N ATOM 969 CA SER A 69 -2.314 -8.124 -6.125 1.00 1.66 C ATOM 970 C SER A 69 -1.199 -7.411 -6.889 1.00 1.53 C ATOM 971 O SER A 69 -1.281 -7.202 -8.083 1.00 1.60 O ATOM 972 CB SER A 69 -3.026 -9.121 -7.033 1.00 1.82 C ATOM 973 OG SER A 69 -2.146 -9.522 -8.075 1.00 2.27 O ATOM 0 H SER A 69 -3.868 -6.674 -6.343 1.00 1.98 H new ATOM 0 HA SER A 69 -1.877 -8.663 -5.284 1.00 1.66 H new ATOM 0 HB2 SER A 69 -3.346 -9.990 -6.458 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.924 -8.669 -7.454 1.00 1.82 H new ATOM 0 HG SER A 69 -1.972 -8.761 -8.668 1.00 2.27 H new ATOM 979 N PHE A 70 -0.156 -7.027 -6.201 1.00 1.38 N ATOM 980 CA PHE A 70 0.965 -6.315 -6.879 1.00 1.30 C ATOM 981 C PHE A 70 2.048 -7.304 -7.315 1.00 1.23 C ATOM 982 O PHE A 70 2.426 -8.191 -6.577 1.00 1.40 O ATOM 983 CB PHE A 70 1.573 -5.269 -5.939 1.00 1.34 C ATOM 984 CG PHE A 70 1.453 -5.718 -4.502 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.192 -5.840 -3.905 1.00 1.96 C ATOM 986 CD2 PHE A 70 2.606 -6.000 -3.761 1.00 1.23 C ATOM 987 CE1 PHE A 70 0.085 -6.247 -2.569 1.00 2.01 C ATOM 988 CE2 PHE A 70 2.501 -6.404 -2.425 1.00 1.35 C ATOM 989 CZ PHE A 70 1.241 -6.528 -1.829 1.00 1.48 C ATOM 0 H PHE A 70 -0.033 -7.176 -5.199 1.00 1.38 H new ATOM 0 HA PHE A 70 0.567 -5.817 -7.763 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.622 -5.111 -6.191 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.066 -4.313 -6.071 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.699 -5.620 -4.475 1.00 1.96 H new ATOM 0 HD2 PHE A 70 3.579 -5.906 -4.221 1.00 1.23 H new ATOM 0 HE1 PHE A 70 -0.888 -6.344 -2.110 1.00 2.01 H new ATOM 0 HE2 PHE A 70 3.392 -6.620 -1.854 1.00 1.35 H new ATOM 0 HZ PHE A 70 1.160 -6.840 -0.798 1.00 1.48 H new ATOM 999 N THR A 71 2.564 -7.142 -8.504 1.00 1.13 N ATOM 1000 CA THR A 71 3.639 -8.054 -8.989 1.00 1.16 C ATOM 1001 C THR A 71 4.996 -7.394 -8.755 1.00 1.11 C ATOM 1002 O THR A 71 5.372 -6.478 -9.459 1.00 1.39 O ATOM 1003 CB THR A 71 3.467 -8.295 -10.489 1.00 1.26 C ATOM 1004 OG1 THR A 71 2.874 -7.149 -11.081 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.578 -9.515 -10.725 1.00 1.80 C ATOM 0 H THR A 71 2.286 -6.414 -9.162 1.00 1.13 H new ATOM 0 HA THR A 71 3.580 -9.001 -8.452 1.00 1.16 H new ATOM 0 HB THR A 71 4.443 -8.478 -10.939 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.052 -6.363 -10.523 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.461 -9.678 -11.796 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.038 -10.393 -10.272 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.600 -9.345 -10.275 1.00 1.80 H new ATOM 1013 N ALA A 72 5.743 -7.840 -7.782 1.00 0.96 N ATOM 1014 CA ALA A 72 7.070 -7.208 -7.545 1.00 0.87 C ATOM 1015 C ALA A 72 7.831 -7.947 -6.444 1.00 0.81 C ATOM 1016 O ALA A 72 7.294 -8.789 -5.752 1.00 0.85 O ATOM 1017 CB ALA A 72 6.869 -5.751 -7.125 1.00 0.81 C ATOM 0 H ALA A 72 5.497 -8.602 -7.151 1.00 0.96 H new ATOM 0 HA ALA A 72 7.649 -7.257 -8.467 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.839 -5.285 -6.951 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.345 -5.213 -7.915 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.279 -5.714 -6.209 1.00 0.81 H new ATOM 1023 N SER A 73 9.085 -7.623 -6.281 1.00 0.75 N ATOM 1024 CA SER A 73 9.904 -8.285 -5.227 1.00 0.72 C ATOM 1025 C SER A 73 10.867 -7.259 -4.625 1.00 0.64 C ATOM 1026 O SER A 73 11.150 -6.238 -5.219 1.00 0.84 O ATOM 1027 CB SER A 73 10.702 -9.433 -5.845 1.00 0.82 C ATOM 1028 OG SER A 73 10.991 -9.128 -7.203 1.00 0.93 O ATOM 0 H SER A 73 9.579 -6.924 -6.836 1.00 0.75 H new ATOM 0 HA SER A 73 9.252 -8.679 -4.448 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.628 -9.587 -5.290 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.134 -10.361 -5.782 1.00 0.82 H new ATOM 0 HG SER A 73 11.504 -9.862 -7.601 1.00 0.93 H new ATOM 1034 N ALA A 74 11.369 -7.518 -3.449 1.00 0.66 N ATOM 1035 CA ALA A 74 12.309 -6.553 -2.812 1.00 0.59 C ATOM 1036 C ALA A 74 13.743 -7.068 -2.943 1.00 0.61 C ATOM 1037 O ALA A 74 14.011 -8.239 -2.763 1.00 0.67 O ATOM 1038 CB ALA A 74 11.956 -6.402 -1.331 1.00 0.59 C ATOM 0 H ALA A 74 11.169 -8.355 -2.902 1.00 0.66 H new ATOM 0 HA ALA A 74 12.226 -5.586 -3.309 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.643 -5.696 -0.863 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.935 -6.032 -1.236 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.038 -7.370 -0.837 1.00 0.59 H new ATOM 1044 N THR A 75 14.668 -6.202 -3.261 1.00 0.62 N ATOM 1045 CA THR A 75 16.081 -6.636 -3.410 1.00 0.72 C ATOM 1046 C THR A 75 17.015 -5.558 -2.840 1.00 0.72 C ATOM 1047 O THR A 75 17.118 -4.481 -3.395 1.00 0.74 O ATOM 1048 CB THR A 75 16.377 -6.815 -4.898 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.553 -5.933 -5.648 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.089 -8.258 -5.312 1.00 0.97 C ATOM 0 H THR A 75 14.501 -5.209 -3.424 1.00 0.62 H new ATOM 0 HA THR A 75 16.240 -7.571 -2.874 1.00 0.72 H new ATOM 0 HB THR A 75 17.426 -6.590 -5.089 1.00 0.85 H new ATOM 0 HG1 THR A 75 15.741 -6.043 -6.604 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.301 -8.381 -6.374 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.719 -8.935 -4.735 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.041 -8.489 -5.123 1.00 0.97 H new ATOM 1058 N PRO A 76 17.707 -5.829 -1.756 1.00 0.77 N ATOM 1059 CA PRO A 76 17.637 -7.127 -1.016 1.00 0.83 C ATOM 1060 C PRO A 76 16.250 -7.387 -0.422 1.00 0.73 C ATOM 1061 O PRO A 76 15.238 -7.087 -1.018 1.00 0.68 O ATOM 1062 CB PRO A 76 18.666 -6.973 0.113 1.00 0.97 C ATOM 1063 CG PRO A 76 19.529 -5.820 -0.275 1.00 1.02 C ATOM 1064 CD PRO A 76 18.657 -4.903 -1.125 1.00 0.85 C ATOM 0 HA PRO A 76 17.836 -7.969 -1.679 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.174 -6.788 1.068 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.257 -7.881 0.229 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.900 -5.297 0.607 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.401 -6.158 -0.835 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.147 -4.156 -0.517 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.245 -4.363 -1.867 1.00 0.85 H new ATOM 1072 N ASP A 77 16.201 -7.944 0.754 1.00 0.81 N ATOM 1073 CA ASP A 77 14.883 -8.229 1.389 1.00 0.76 C ATOM 1074 C ASP A 77 14.608 -7.216 2.503 1.00 0.72 C ATOM 1075 O ASP A 77 15.515 -6.703 3.128 1.00 0.78 O ATOM 1076 CB ASP A 77 14.895 -9.641 1.977 1.00 0.91 C ATOM 1077 CG ASP A 77 15.832 -10.529 1.156 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.530 -10.762 -0.003 1.00 1.75 O ATOM 1079 OD2 ASP A 77 16.835 -10.961 1.699 1.00 1.30 O ATOM 0 H ASP A 77 17.016 -8.215 1.304 1.00 0.81 H new ATOM 0 HA ASP A 77 14.100 -8.152 0.635 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.223 -9.611 3.016 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.887 -10.056 1.973 1.00 0.91 H new ATOM 1084 N MET A 78 13.359 -6.934 2.757 1.00 0.75 N ATOM 1085 CA MET A 78 13.003 -5.962 3.831 1.00 0.87 C ATOM 1086 C MET A 78 11.529 -5.572 3.676 1.00 0.89 C ATOM 1087 O MET A 78 10.931 -5.798 2.642 1.00 0.93 O ATOM 1088 CB MET A 78 13.884 -4.714 3.714 1.00 1.01 C ATOM 1089 CG MET A 78 14.811 -4.613 4.929 1.00 1.19 C ATOM 1090 SD MET A 78 15.441 -2.922 5.066 1.00 1.83 S ATOM 1091 CE MET A 78 16.921 -3.147 4.049 1.00 2.16 C ATOM 0 H MET A 78 12.564 -7.338 2.263 1.00 0.75 H new ATOM 0 HA MET A 78 13.164 -6.417 4.808 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.474 -4.760 2.799 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.260 -3.823 3.647 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.271 -4.886 5.836 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.639 -5.314 4.828 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.544 -2.255 4.111 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.483 -4.008 4.410 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.628 -3.313 3.012 1.00 2.16 H new ATOM 1101 N PRO A 79 10.941 -4.998 4.694 1.00 0.96 N ATOM 1102 CA PRO A 79 9.512 -4.580 4.668 1.00 1.04 C ATOM 1103 C PRO A 79 9.313 -3.204 4.025 1.00 1.13 C ATOM 1104 O PRO A 79 10.197 -2.370 4.029 1.00 1.28 O ATOM 1105 CB PRO A 79 9.141 -4.534 6.149 1.00 1.12 C ATOM 1106 CG PRO A 79 10.408 -4.185 6.859 1.00 1.38 C ATOM 1107 CD PRO A 79 11.568 -4.682 5.989 1.00 1.11 C ATOM 0 HA PRO A 79 8.898 -5.258 4.075 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.366 -3.791 6.338 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.751 -5.494 6.487 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.478 -3.108 7.014 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.438 -4.652 7.844 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.340 -3.920 5.882 1.00 1.11 H new ATOM 0 HD3 PRO A 79 12.045 -5.560 6.425 1.00 1.11 H new ATOM 1115 N VAL A 80 8.152 -2.959 3.479 1.00 1.13 N ATOM 1116 CA VAL A 80 7.887 -1.637 2.845 1.00 1.31 C ATOM 1117 C VAL A 80 6.586 -1.061 3.405 1.00 1.45 C ATOM 1118 O VAL A 80 6.064 -1.534 4.396 1.00 1.98 O ATOM 1119 CB VAL A 80 7.765 -1.807 1.329 1.00 1.56 C ATOM 1120 CG1 VAL A 80 9.019 -2.494 0.788 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.538 -2.665 1.009 1.00 1.79 C ATOM 0 H VAL A 80 7.375 -3.619 3.445 1.00 1.13 H new ATOM 0 HA VAL A 80 8.711 -0.957 3.063 1.00 1.31 H new ATOM 0 HB VAL A 80 7.658 -0.828 0.863 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.931 -2.614 -0.292 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.894 -1.885 1.015 1.00 2.01 H new ATOM 0 HG13 VAL A 80 9.127 -3.473 1.255 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.451 -2.786 -0.071 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.646 -3.644 1.477 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.642 -2.177 1.393 1.00 1.79 H new ATOM 1131 N ARG A 81 6.055 -0.041 2.785 1.00 1.48 N ATOM 1132 CA ARG A 81 4.789 0.559 3.292 1.00 1.84 C ATOM 1133 C ARG A 81 3.848 0.851 2.122 1.00 2.04 C ATOM 1134 O ARG A 81 4.266 1.274 1.063 1.00 2.57 O ATOM 1135 CB ARG A 81 5.107 1.863 4.029 1.00 2.24 C ATOM 1136 CG ARG A 81 3.807 2.605 4.347 1.00 2.95 C ATOM 1137 CD ARG A 81 4.127 3.894 5.105 1.00 4.04 C ATOM 1138 NE ARG A 81 2.863 4.499 5.612 1.00 4.81 N ATOM 1139 CZ ARG A 81 2.904 5.427 6.528 1.00 5.14 C ATOM 1140 NH1 ARG A 81 4.054 5.829 6.999 1.00 4.94 N ATOM 1141 NH2 ARG A 81 1.797 5.957 6.972 1.00 6.01 N ATOM 0 H ARG A 81 6.443 0.401 1.952 1.00 1.48 H new ATOM 0 HA ARG A 81 4.306 -0.140 3.974 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.649 1.649 4.950 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.755 2.490 3.416 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.273 2.836 3.425 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.152 1.972 4.945 1.00 2.95 H new ATOM 0 HD2 ARG A 81 4.800 3.682 5.936 1.00 4.04 H new ATOM 0 HD3 ARG A 81 4.641 4.596 4.449 1.00 4.04 H new ATOM 0 HE ARG A 81 1.965 4.187 5.242 1.00 4.81 H new ATOM 0 HH11 ARG A 81 4.920 5.417 6.651 1.00 4.94 H new ATOM 0 HH12 ARG A 81 4.086 6.555 7.715 1.00 4.94 H new ATOM 0 HH21 ARG A 81 0.899 5.646 6.603 1.00 6.01 H new ATOM 0 HH22 ARG A 81 1.830 6.682 7.688 1.00 6.01 H new ATOM 1155 N VAL A 82 2.574 0.634 2.309 1.00 2.00 N ATOM 1156 CA VAL A 82 1.599 0.902 1.218 1.00 2.41 C ATOM 1157 C VAL A 82 0.340 1.534 1.811 1.00 1.99 C ATOM 1158 O VAL A 82 -0.020 1.275 2.943 1.00 1.85 O ATOM 1159 CB VAL A 82 1.236 -0.411 0.522 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.150 -1.533 1.558 1.00 3.76 C ATOM 1161 CG2 VAL A 82 -0.117 -0.260 -0.176 1.00 3.57 C ATOM 0 H VAL A 82 2.167 0.281 3.175 1.00 2.00 H new ATOM 0 HA VAL A 82 2.041 1.583 0.491 1.00 2.41 H new ATOM 0 HB VAL A 82 2.002 -0.654 -0.214 1.00 3.05 H new ATOM 0 HG11 VAL A 82 0.891 -2.468 1.061 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.113 -1.642 2.057 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.385 -1.290 2.295 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.377 -1.195 -0.672 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.882 -0.016 0.561 1.00 3.57 H new ATOM 0 HG23 VAL A 82 -0.058 0.539 -0.915 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.332 2.365 1.063 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.564 3.012 1.598 1.00 1.82 C ATOM 1173 C LEU A 83 -2.611 3.134 0.489 1.00 1.64 C ATOM 1174 O LEU A 83 -2.286 3.280 -0.672 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.218 4.406 2.124 1.00 2.29 C ATOM 1176 CG LEU A 83 -1.193 5.400 0.963 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -2.588 5.997 0.771 1.00 1.99 C ATOM 1178 CD2 LEU A 83 -0.198 6.520 1.273 1.00 1.42 C ATOM 0 H LEU A 83 -0.083 2.624 0.108 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.967 2.403 2.407 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.952 4.718 2.867 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.248 4.388 2.621 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.890 4.885 0.051 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -2.570 6.706 -0.057 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -3.298 5.200 0.551 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -2.892 6.512 1.682 1.00 1.99 H new ATOM 0 HD21 LEU A 83 -0.179 7.229 0.446 1.00 1.42 H new ATOM 0 HD22 LEU A 83 -0.501 7.034 2.185 1.00 1.42 H new ATOM 0 HD23 LEU A 83 0.797 6.096 1.409 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.868 3.080 0.841 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.936 3.200 -0.194 1.00 1.53 C ATOM 1192 C VAL A 84 -6.194 3.807 0.431 1.00 1.46 C ATOM 1193 O VAL A 84 -6.503 3.573 1.584 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.271 1.818 -0.758 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.749 1.957 -2.204 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -4.024 0.932 -0.717 1.00 1.84 C ATOM 0 H VAL A 84 -4.201 2.958 1.797 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.579 3.844 -0.998 1.00 1.53 H new ATOM 0 HB VAL A 84 -6.059 1.364 -0.157 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.987 0.972 -2.605 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.639 2.586 -2.234 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.962 2.413 -2.805 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.264 -0.052 -1.119 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.235 1.386 -1.316 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.684 0.830 0.314 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.924 4.583 -0.323 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.164 5.205 0.220 1.00 1.49 C ATOM 1208 C GLY A 85 -8.629 6.319 -0.719 1.00 1.17 C ATOM 1209 O GLY A 85 -8.539 6.205 -1.925 1.00 1.15 O ATOM 0 H GLY A 85 -6.714 4.813 -1.294 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.946 4.452 0.324 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.976 5.608 1.215 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.125 7.397 -0.178 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.595 8.516 -1.042 1.00 1.19 C ATOM 1215 C GLU A 86 -8.438 9.486 -1.295 1.00 1.21 C ATOM 1216 O GLU A 86 -7.282 9.135 -1.165 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.737 9.257 -0.344 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.274 9.724 1.038 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.403 10.498 1.721 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -12.488 10.535 1.167 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -11.163 11.040 2.787 1.00 2.54 O ATOM 0 H GLU A 86 -9.225 7.552 0.825 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.949 8.116 -1.992 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.049 10.113 -0.943 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.603 8.603 -0.247 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.987 8.866 1.646 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.391 10.356 0.943 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.741 10.703 -1.654 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.659 11.694 -1.915 1.00 1.38 C ATOM 1230 C GLY A 87 -8.183 13.106 -1.645 1.00 1.20 C ATOM 1231 O GLY A 87 -8.047 13.995 -2.462 1.00 1.26 O ATOM 0 H GLY A 87 -9.691 11.054 -1.778 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.799 11.486 -1.278 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.318 11.612 -2.947 1.00 1.38 H new ATOM 1280 N ARG A 92 -8.950 10.351 6.033 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.745 9.068 6.762 1.00 2.12 C ATOM 1282 C ARG A 92 -8.924 7.897 5.794 1.00 1.84 C ATOM 1283 O ARG A 92 -9.897 7.820 5.072 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.770 8.956 7.894 1.00 2.02 C ATOM 1285 CG ARG A 92 -11.152 9.357 7.373 1.00 2.72 C ATOM 1286 CD ARG A 92 -12.238 8.765 8.275 1.00 3.19 C ATOM 1287 NE ARG A 92 -13.189 9.837 8.705 1.00 4.00 N ATOM 1288 CZ ARG A 92 -12.757 10.968 9.196 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -11.485 11.145 9.427 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -13.607 11.914 9.488 1.00 5.74 N ATOM 0 HA ARG A 92 -7.738 9.043 7.179 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.796 7.935 8.276 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.482 9.600 8.725 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -11.240 10.443 7.347 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -11.282 9.002 6.351 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.777 7.982 7.742 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.782 8.300 9.149 1.00 3.19 H new ATOM 0 HE ARG A 92 -14.193 9.682 8.613 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.821 10.398 9.224 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -11.155 12.031 9.810 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -14.605 11.769 9.333 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -13.274 12.798 9.872 1.00 5.74 H new ATOM 1304 N THR A 93 -7.992 6.984 5.774 1.00 1.67 N ATOM 1305 CA THR A 93 -8.109 5.819 4.852 1.00 1.74 C ATOM 1306 C THR A 93 -8.233 4.528 5.658 1.00 1.95 C ATOM 1307 O THR A 93 -8.037 4.508 6.857 1.00 2.27 O ATOM 1308 CB THR A 93 -6.862 5.733 3.969 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.609 4.373 3.650 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.662 6.313 4.717 1.00 1.74 C ATOM 0 H THR A 93 -7.155 6.994 6.356 1.00 1.67 H new ATOM 0 HA THR A 93 -8.995 5.950 4.231 1.00 1.74 H new ATOM 0 HB THR A 93 -7.024 6.301 3.053 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.706 4.240 2.684 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.775 6.251 4.086 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.858 7.356 4.966 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.496 5.747 5.633 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.545 3.448 5.000 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.669 2.148 5.713 1.00 2.71 C ATOM 1320 C ALA A 94 -7.501 1.251 5.301 1.00 2.70 C ATOM 1321 O ALA A 94 -7.120 0.343 6.013 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.991 1.478 5.332 1.00 3.28 C ATOM 0 H ALA A 94 -8.720 3.410 3.996 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.651 2.311 6.791 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.080 0.526 5.855 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.821 2.126 5.613 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.014 1.304 4.256 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.926 1.505 4.156 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.778 0.673 3.700 1.00 2.32 C ATOM 1330 C PHE A 95 -4.475 1.308 4.186 1.00 1.89 C ATOM 1331 O PHE A 95 -3.465 1.263 3.515 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.770 0.617 2.173 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.190 -0.697 1.704 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.196 -1.339 2.454 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.644 -1.272 0.511 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.659 -2.553 2.011 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.105 -2.485 0.067 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.113 -3.126 0.817 1.00 3.60 C ATOM 0 H PHE A 95 -7.202 2.252 3.518 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.871 -0.335 4.104 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.785 0.732 1.792 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.184 1.445 1.774 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.844 -0.897 3.374 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.411 -0.779 -0.068 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -2.894 -3.048 2.591 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.455 -2.926 -0.855 1.00 3.55 H new ATOM 0 HZ PHE A 95 -3.698 -4.062 0.475 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.491 1.908 5.343 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.251 2.550 5.860 1.00 2.11 C ATOM 1350 C GLU A 96 -2.448 1.535 6.675 1.00 1.99 C ATOM 1351 O GLU A 96 -2.793 1.212 7.795 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.624 3.739 6.748 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.366 4.544 7.078 1.00 3.05 C ATOM 1354 CD GLU A 96 -1.620 3.877 8.235 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -1.932 4.186 9.373 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -0.750 3.067 7.962 1.00 4.60 O ATOM 0 H GLU A 96 -5.306 1.982 5.951 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.647 2.898 5.022 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.351 4.372 6.239 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -4.095 3.387 7.666 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -1.720 4.604 6.202 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -2.635 5.566 7.346 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.379 1.028 6.124 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.556 0.034 6.869 1.00 2.35 C ATOM 1365 C GLN A 97 0.927 0.292 6.597 1.00 2.76 C ATOM 1366 O GLN A 97 1.285 1.154 5.819 1.00 3.44 O ATOM 1367 CB GLN A 97 -0.924 -1.379 6.410 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.093 -1.752 5.180 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.850 -2.788 4.347 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -0.767 -2.787 3.135 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.590 -3.678 4.949 1.00 3.46 N ATOM 0 H GLN A 97 -1.040 1.259 5.190 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.749 0.130 7.937 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -0.742 -2.092 7.214 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -1.987 -1.430 6.173 1.00 2.59 H new ATOM 0 HG2 GLN A 97 0.107 -0.864 4.581 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.873 -2.153 5.488 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -1.660 -3.679 5.967 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -2.099 -4.373 4.402 1.00 3.46 H new ATOM 1380 N GLY A 98 1.795 -0.449 7.231 1.00 2.66 N ATOM 1381 CA GLY A 98 3.254 -0.245 7.007 1.00 3.12 C ATOM 1382 C GLY A 98 4.004 -1.549 7.284 1.00 2.94 C ATOM 1383 O GLY A 98 5.212 -1.566 7.412 1.00 3.67 O ATOM 0 H GLY A 98 1.557 -1.186 7.894 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.433 0.078 5.981 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.625 0.545 7.660 1.00 3.12 H new ATOM 1387 N SER A 99 3.299 -2.644 7.375 1.00 2.31 N ATOM 1388 CA SER A 99 3.972 -3.944 7.644 1.00 2.54 C ATOM 1389 C SER A 99 3.858 -4.844 6.412 1.00 2.05 C ATOM 1390 O SER A 99 3.290 -5.916 6.466 1.00 1.87 O ATOM 1391 CB SER A 99 3.297 -4.622 8.836 1.00 3.04 C ATOM 1392 OG SER A 99 3.948 -4.224 10.034 1.00 3.79 O ATOM 0 H SER A 99 2.285 -2.693 7.274 1.00 2.31 H new ATOM 0 HA SER A 99 5.025 -3.772 7.868 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.242 -4.350 8.874 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.343 -5.706 8.726 1.00 3.04 H new ATOM 0 HG SER A 99 3.516 -4.656 10.800 1.00 3.79 H new ATOM 1398 N ALA A 100 4.396 -4.417 5.303 1.00 1.96 N ATOM 1399 CA ALA A 100 4.322 -5.249 4.069 1.00 1.63 C ATOM 1400 C ALA A 100 5.689 -5.896 3.818 1.00 1.41 C ATOM 1401 O ALA A 100 6.603 -5.253 3.342 1.00 1.39 O ATOM 1402 CB ALA A 100 3.952 -4.359 2.880 1.00 1.76 C ATOM 0 H ALA A 100 4.884 -3.527 5.198 1.00 1.96 H new ATOM 0 HA ALA A 100 3.566 -6.025 4.190 1.00 1.63 H new ATOM 0 HB1 ALA A 100 3.897 -4.965 1.975 1.00 1.76 H new ATOM 0 HB2 ALA A 100 2.985 -3.891 3.063 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.711 -3.586 2.754 1.00 1.76 H new ATOM 1408 N PRO A 101 5.834 -7.155 4.145 1.00 1.67 N ATOM 1409 CA PRO A 101 7.118 -7.888 3.961 1.00 1.70 C ATOM 1410 C PRO A 101 7.348 -8.317 2.508 1.00 1.06 C ATOM 1411 O PRO A 101 6.477 -8.876 1.870 1.00 1.45 O ATOM 1412 CB PRO A 101 6.968 -9.111 4.864 1.00 2.69 C ATOM 1413 CG PRO A 101 5.498 -9.362 4.953 1.00 2.97 C ATOM 1414 CD PRO A 101 4.795 -8.022 4.726 1.00 2.35 C ATOM 0 HA PRO A 101 7.977 -7.264 4.209 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.489 -9.973 4.447 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.395 -8.926 5.850 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.186 -10.091 4.205 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.236 -9.773 5.928 1.00 2.97 H new ATOM 0 HD2 PRO A 101 3.945 -8.129 4.052 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.412 -7.611 5.660 1.00 2.35 H new ATOM 1422 N LEU A 102 8.516 -8.062 1.986 1.00 0.99 N ATOM 1423 CA LEU A 102 8.810 -8.458 0.579 1.00 1.10 C ATOM 1424 C LEU A 102 10.278 -8.874 0.468 1.00 0.93 C ATOM 1425 O LEU A 102 11.160 -8.210 0.974 1.00 1.33 O ATOM 1426 CB LEU A 102 8.541 -7.272 -0.350 1.00 2.00 C ATOM 1427 CG LEU A 102 7.083 -7.302 -0.809 1.00 2.39 C ATOM 1428 CD1 LEU A 102 6.562 -5.871 -0.951 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.989 -8.015 -2.161 1.00 2.31 C ATOM 0 H LEU A 102 9.281 -7.596 2.474 1.00 0.99 H new ATOM 0 HA LEU A 102 8.172 -9.294 0.292 1.00 1.10 H new ATOM 0 HB2 LEU A 102 8.751 -6.336 0.168 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.206 -7.315 -1.213 1.00 2.00 H new ATOM 0 HG LEU A 102 6.482 -7.836 -0.073 1.00 2.39 H new ATOM 0 HD11 LEU A 102 5.523 -5.893 -1.278 1.00 3.06 H new ATOM 0 HD12 LEU A 102 6.629 -5.362 0.011 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.163 -5.336 -1.687 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.950 -8.037 -2.489 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.591 -7.481 -2.897 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.360 -9.035 -2.061 1.00 2.31 H new ATOM 1441 N THR A 103 10.547 -9.969 -0.190 1.00 1.21 N ATOM 1442 CA THR A 103 11.960 -10.423 -0.328 1.00 1.09 C ATOM 1443 C THR A 103 12.199 -10.925 -1.754 1.00 1.38 C ATOM 1444 O THR A 103 11.447 -10.627 -2.661 1.00 1.81 O ATOM 1445 CB THR A 103 12.230 -11.557 0.662 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.597 -11.936 0.584 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.345 -12.757 0.322 1.00 2.34 C ATOM 0 H THR A 103 9.852 -10.567 -0.637 1.00 1.21 H new ATOM 0 HA THR A 103 12.631 -9.589 -0.119 1.00 1.09 H new ATOM 0 HB THR A 103 12.004 -11.218 1.673 1.00 1.79 H new ATOM 0 HG1 THR A 103 14.086 -11.286 0.037 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.539 -13.564 1.029 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.297 -12.465 0.384 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.568 -13.099 -0.689 1.00 2.34 H new ATOM 1455 N GLY A 104 13.239 -11.686 -1.958 1.00 1.62 N ATOM 1456 CA GLY A 104 13.526 -12.206 -3.326 1.00 2.17 C ATOM 1457 C GLY A 104 12.376 -13.107 -3.780 1.00 1.60 C ATOM 1458 O GLY A 104 12.583 -14.114 -4.428 1.00 1.83 O ATOM 0 H GLY A 104 13.902 -11.970 -1.237 1.00 1.62 H new ATOM 0 HA2 GLY A 104 13.650 -11.377 -4.023 1.00 2.17 H new ATOM 0 HA3 GLY A 104 14.462 -12.765 -3.325 1.00 2.17 H new ATOM 1462 N GLU A 105 11.166 -12.753 -3.447 1.00 1.22 N ATOM 1463 CA GLU A 105 10.003 -13.588 -3.860 1.00 1.09 C ATOM 1464 C GLU A 105 9.163 -12.818 -4.882 1.00 1.06 C ATOM 1465 O GLU A 105 8.290 -12.052 -4.526 1.00 1.08 O ATOM 1466 CB GLU A 105 9.145 -13.907 -2.635 1.00 1.40 C ATOM 1467 CG GLU A 105 7.876 -14.638 -3.076 1.00 1.95 C ATOM 1468 CD GLU A 105 8.248 -15.795 -4.005 1.00 2.43 C ATOM 1469 OE1 GLU A 105 8.984 -16.666 -3.568 1.00 3.02 O ATOM 1470 OE2 GLU A 105 7.793 -15.791 -5.136 1.00 2.75 O ATOM 0 H GLU A 105 10.932 -11.921 -2.906 1.00 1.22 H new ATOM 0 HA GLU A 105 10.361 -14.516 -4.306 1.00 1.09 H new ATOM 0 HB2 GLU A 105 9.708 -14.524 -1.935 1.00 1.40 H new ATOM 0 HB3 GLU A 105 8.884 -12.987 -2.111 1.00 1.40 H new ATOM 0 HG2 GLU A 105 7.340 -15.015 -2.205 1.00 1.95 H new ATOM 0 HG3 GLU A 105 7.206 -13.948 -3.588 1.00 1.95 H new ATOM 1477 N PRO A 106 9.426 -13.019 -6.146 1.00 1.08 N ATOM 1478 CA PRO A 106 8.688 -12.332 -7.240 1.00 1.12 C ATOM 1479 C PRO A 106 7.330 -12.982 -7.518 1.00 1.24 C ATOM 1480 O PRO A 106 7.246 -14.135 -7.892 1.00 1.42 O ATOM 1481 CB PRO A 106 9.613 -12.483 -8.447 1.00 1.26 C ATOM 1482 CG PRO A 106 10.411 -13.719 -8.190 1.00 1.20 C ATOM 1483 CD PRO A 106 10.461 -13.925 -6.672 1.00 1.13 C ATOM 0 HA PRO A 106 8.462 -11.295 -6.991 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.041 -12.571 -9.371 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.261 -11.613 -8.555 1.00 1.26 H new ATOM 0 HG2 PRO A 106 9.954 -14.579 -8.679 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.417 -13.618 -8.597 1.00 1.20 H new ATOM 0 HD2 PRO A 106 10.255 -14.961 -6.405 1.00 1.13 H new ATOM 0 HD3 PRO A 106 11.444 -13.681 -6.270 1.00 1.13 H new ATOM 1491 N ALA A 107 6.265 -12.249 -7.337 1.00 1.17 N ATOM 1492 CA ALA A 107 4.915 -12.823 -7.589 1.00 1.31 C ATOM 1493 C ALA A 107 3.844 -11.816 -7.161 1.00 1.24 C ATOM 1494 O ALA A 107 4.144 -10.705 -6.769 1.00 1.04 O ATOM 1495 CB ALA A 107 4.750 -14.115 -6.784 1.00 1.37 C ATOM 0 H ALA A 107 6.273 -11.278 -7.026 1.00 1.17 H new ATOM 0 HA ALA A 107 4.806 -13.041 -8.652 1.00 1.31 H new ATOM 0 HB1 ALA A 107 3.761 -14.535 -6.969 1.00 1.37 H new ATOM 0 HB2 ALA A 107 5.512 -14.833 -7.088 1.00 1.37 H new ATOM 0 HB3 ALA A 107 4.859 -13.898 -5.721 1.00 1.37 H new ATOM 1501 N THR A 108 2.598 -12.196 -7.236 1.00 1.45 N ATOM 1502 CA THR A 108 1.508 -11.264 -6.835 1.00 1.43 C ATOM 1503 C THR A 108 1.184 -11.435 -5.353 1.00 1.38 C ATOM 1504 O THR A 108 0.748 -12.486 -4.924 1.00 1.47 O ATOM 1505 CB THR A 108 0.245 -11.567 -7.647 1.00 1.60 C ATOM 1506 OG1 THR A 108 0.233 -12.943 -7.999 1.00 1.72 O ATOM 1507 CG2 THR A 108 0.221 -10.716 -8.916 1.00 1.66 C ATOM 0 H THR A 108 2.288 -13.113 -7.558 1.00 1.45 H new ATOM 0 HA THR A 108 1.841 -10.243 -7.022 1.00 1.43 H new ATOM 0 HB THR A 108 -0.633 -11.332 -7.046 1.00 1.60 H new ATOM 0 HG1 THR A 108 -0.575 -13.141 -8.517 1.00 1.72 H new ATOM 0 HG21 THR A 108 -0.681 -10.939 -9.486 1.00 1.66 H new ATOM 0 HG22 THR A 108 0.228 -9.660 -8.646 1.00 1.66 H new ATOM 0 HG23 THR A 108 1.099 -10.941 -9.522 1.00 1.66 H new ATOM 1515 N ARG A 109 1.351 -10.406 -4.568 1.00 1.33 N ATOM 1516 CA ARG A 109 1.000 -10.528 -3.129 1.00 1.32 C ATOM 1517 C ARG A 109 -0.435 -10.045 -2.969 1.00 1.37 C ATOM 1518 O ARG A 109 -0.826 -9.050 -3.544 1.00 1.49 O ATOM 1519 CB ARG A 109 1.912 -9.663 -2.263 1.00 1.27 C ATOM 1520 CG ARG A 109 3.137 -10.473 -1.830 1.00 1.97 C ATOM 1521 CD ARG A 109 2.687 -11.662 -0.978 1.00 2.63 C ATOM 1522 NE ARG A 109 3.503 -11.727 0.270 1.00 3.48 N ATOM 1523 CZ ARG A 109 4.795 -11.534 0.237 1.00 3.74 C ATOM 1524 NH1 ARG A 109 5.405 -11.358 -0.903 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.480 -11.541 1.346 1.00 4.70 N ATOM 0 H ARG A 109 1.711 -9.497 -4.858 1.00 1.33 H new ATOM 0 HA ARG A 109 1.117 -11.564 -2.812 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.227 -8.780 -2.819 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.369 -9.311 -1.386 1.00 1.27 H new ATOM 0 HG2 ARG A 109 3.682 -10.825 -2.706 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.821 -9.843 -1.262 1.00 1.97 H new ATOM 0 HD2 ARG A 109 1.631 -11.563 -0.728 1.00 2.63 H new ATOM 0 HD3 ARG A 109 2.795 -12.588 -1.543 1.00 2.63 H new ATOM 0 HE ARG A 109 3.046 -11.925 1.160 1.00 3.48 H new ATOM 0 HH11 ARG A 109 4.873 -11.371 -1.773 1.00 3.39 H new ATOM 0 HH12 ARG A 109 6.414 -11.208 -0.924 1.00 3.39 H new ATOM 0 HH21 ARG A 109 5.007 -11.697 2.236 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.489 -11.391 1.323 1.00 4.70 H new ATOM 1539 N GLU A 110 -1.222 -10.738 -2.203 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.640 -10.321 -2.031 1.00 1.51 C ATOM 1541 C GLU A 110 -2.843 -9.756 -0.626 1.00 1.50 C ATOM 1542 O GLU A 110 -2.659 -10.437 0.363 1.00 1.45 O ATOM 1543 CB GLU A 110 -3.552 -11.534 -2.225 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.870 -12.544 -3.150 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.931 -13.301 -3.950 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -4.874 -13.779 -3.343 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -3.782 -13.390 -5.158 1.00 3.28 O ATOM 0 H GLU A 110 -0.948 -11.575 -1.688 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.884 -9.556 -2.768 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.770 -11.996 -1.262 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -4.505 -11.221 -2.651 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -2.187 -12.030 -3.827 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -2.273 -13.243 -2.565 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.225 -8.512 -0.532 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.443 -7.891 0.804 1.00 1.81 C ATOM 1556 C TYR A 111 -4.949 -7.712 1.003 1.00 2.14 C ATOM 1557 O TYR A 111 -5.577 -6.903 0.350 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.770 -6.516 0.851 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.309 -6.637 1.232 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.605 -7.828 1.011 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.655 -5.538 1.803 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.747 -7.920 1.362 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.698 -5.630 2.152 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.399 -6.821 1.932 1.00 2.36 C ATOM 1565 OH TYR A 111 2.732 -6.913 2.277 1.00 2.67 O ATOM 0 H TYR A 111 -3.396 -7.897 -1.327 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.021 -8.524 1.584 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.856 -6.032 -0.122 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.285 -5.880 1.571 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.106 -8.676 0.569 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -1.195 -4.618 1.974 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.287 -8.840 1.193 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.201 -4.781 2.591 1.00 2.96 H new ATOM 0 HH TYR A 111 3.278 -6.957 1.464 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.541 -8.469 1.885 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.009 -8.346 2.098 1.00 2.71 C ATOM 1577 C ALA A 112 -7.290 -7.483 3.328 1.00 2.50 C ATOM 1578 O ALA A 112 -6.729 -7.685 4.387 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.610 -9.738 2.307 1.00 3.41 C ATOM 0 H ALA A 112 -5.073 -9.165 2.465 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.458 -7.877 1.223 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.685 -9.650 2.463 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.420 -10.352 1.427 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.153 -10.204 3.180 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.166 -6.524 3.195 1.00 2.28 N ATOM 1586 CA PHE A 113 -8.498 -5.646 4.352 1.00 2.20 C ATOM 1587 C PHE A 113 -10.016 -5.504 4.455 1.00 1.67 C ATOM 1588 O PHE A 113 -10.745 -5.859 3.549 1.00 1.59 O ATOM 1589 CB PHE A 113 -7.867 -4.266 4.154 1.00 2.57 C ATOM 1590 CG PHE A 113 -7.835 -3.928 2.683 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.033 -4.673 1.808 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -8.607 -2.868 2.193 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -7.005 -4.357 0.444 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -8.579 -2.552 0.830 1.00 2.44 C ATOM 1595 CZ PHE A 113 -7.778 -3.297 -0.045 1.00 2.64 C ATOM 0 H PHE A 113 -8.667 -6.311 2.332 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.107 -6.089 5.268 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.438 -3.513 4.698 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -6.856 -4.256 4.562 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -6.437 -5.491 2.185 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -9.225 -2.294 2.867 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -6.387 -4.931 -0.231 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -9.175 -1.734 0.453 1.00 2.44 H new ATOM 0 HZ PHE A 113 -7.757 -3.054 -1.097 1.00 2.64 H new ATOM 1605 N THR A 114 -10.501 -4.992 5.552 1.00 1.53 N ATOM 1606 CA THR A 114 -11.972 -4.834 5.714 1.00 1.47 C ATOM 1607 C THR A 114 -12.377 -3.391 5.406 1.00 1.85 C ATOM 1608 O THR A 114 -11.845 -2.453 5.966 1.00 2.23 O ATOM 1609 CB THR A 114 -12.361 -5.175 7.154 1.00 1.92 C ATOM 1610 OG1 THR A 114 -11.280 -4.861 8.021 1.00 2.12 O ATOM 1611 CG2 THR A 114 -12.686 -6.666 7.259 1.00 2.22 C ATOM 0 H THR A 114 -9.941 -4.676 6.344 1.00 1.53 H new ATOM 0 HA THR A 114 -12.485 -5.505 5.025 1.00 1.47 H new ATOM 0 HB THR A 114 -13.238 -4.595 7.441 1.00 1.92 H new ATOM 0 HG1 THR A 114 -11.528 -5.077 8.944 1.00 2.12 H new ATOM 0 HG21 THR A 114 -12.963 -6.907 8.285 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.516 -6.905 6.594 1.00 2.22 H new ATOM 0 HG23 THR A 114 -11.811 -7.250 6.973 1.00 2.22 H new ATOM 1619 N SER A 115 -13.317 -3.206 4.519 1.00 2.24 N ATOM 1620 CA SER A 115 -13.760 -1.826 4.177 1.00 2.93 C ATOM 1621 C SER A 115 -14.505 -1.223 5.370 1.00 3.67 C ATOM 1622 O SER A 115 -15.482 -1.770 5.844 1.00 4.11 O ATOM 1623 CB SER A 115 -14.691 -1.876 2.965 1.00 3.21 C ATOM 1624 OG SER A 115 -14.150 -2.764 1.996 1.00 4.06 O ATOM 0 H SER A 115 -13.797 -3.952 4.016 1.00 2.24 H new ATOM 0 HA SER A 115 -12.892 -1.211 3.941 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.684 -2.210 3.267 1.00 3.21 H new ATOM 0 HB3 SER A 115 -14.806 -0.880 2.538 1.00 3.21 H new ATOM 0 HG SER A 115 -14.330 -3.689 2.264 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.052 -0.103 5.861 1.00 3.92 N ATOM 1631 CA ASN A 116 -14.735 0.529 7.025 1.00 4.70 C ATOM 1632 C ASN A 116 -15.278 1.901 6.617 1.00 4.40 C ATOM 1633 O ASN A 116 -16.024 2.524 7.346 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.736 0.697 8.172 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.421 0.363 9.499 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -15.724 0.343 9.559 1.00 6.51 O flip ATOM 1637 ND2 ASN A 116 -13.763 0.118 10.491 1.00 6.86 N flip ATOM 0 H ASN A 116 -13.239 0.402 5.507 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.560 -0.105 7.350 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -12.877 0.043 8.019 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.358 1.719 8.193 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -12.744 0.134 10.444 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -14.230 -0.103 11.371 1.00 6.86 H new ATOM 1644 N LEU A 117 -14.909 2.377 5.460 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.406 3.708 5.010 1.00 3.59 C ATOM 1646 C LEU A 117 -15.698 3.664 3.509 1.00 3.13 C ATOM 1647 O LEU A 117 -14.844 3.332 2.710 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.343 4.771 5.294 1.00 3.83 C ATOM 1649 CG LEU A 117 -14.806 6.120 4.737 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.262 6.366 5.137 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -13.927 7.234 5.309 1.00 4.76 C ATOM 0 H LEU A 117 -14.285 1.903 4.807 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.320 3.956 5.549 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.170 4.849 6.367 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -13.396 4.484 4.838 1.00 3.83 H new ATOM 0 HG LEU A 117 -14.725 6.111 3.650 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.591 7.326 4.740 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.890 5.572 4.732 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -16.344 6.375 6.224 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.255 8.195 4.914 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -14.010 7.241 6.396 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -12.889 7.060 5.026 1.00 4.76 H new ATOM 1663 N THR A 118 -16.898 3.996 3.118 1.00 3.12 N ATOM 1664 CA THR A 118 -17.243 3.973 1.670 1.00 3.08 C ATOM 1665 C THR A 118 -16.396 5.007 0.927 1.00 3.13 C ATOM 1666 O THR A 118 -16.096 6.066 1.444 1.00 3.70 O ATOM 1667 CB THR A 118 -18.727 4.309 1.497 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.139 5.171 2.548 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.553 3.021 1.536 1.00 4.04 C ATOM 0 H THR A 118 -17.654 4.282 3.740 1.00 3.12 H new ATOM 0 HA THR A 118 -17.043 2.982 1.263 1.00 3.08 H new ATOM 0 HB THR A 118 -18.879 4.805 0.538 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.088 5.389 2.439 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.609 3.262 1.413 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.235 2.360 0.729 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.404 2.522 2.494 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.008 4.712 -0.283 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.180 5.679 -1.058 1.00 3.07 C ATOM 1679 C PHE A 119 -15.594 5.641 -2.531 1.00 2.72 C ATOM 1680 O PHE A 119 -15.089 4.849 -3.303 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.704 5.299 -0.933 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.183 5.729 0.417 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.216 7.080 0.782 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -12.666 4.778 1.304 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -12.733 7.480 2.035 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -12.183 5.176 2.557 1.00 5.10 C ATOM 1687 CZ PHE A 119 -12.217 6.528 2.921 1.00 5.44 C ATOM 0 H PHE A 119 -16.229 3.843 -0.769 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.332 6.684 -0.665 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.584 4.222 -1.054 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.127 5.776 -1.725 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.614 7.814 0.097 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -12.639 3.736 1.022 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -12.759 8.522 2.317 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -11.785 4.441 3.241 1.00 5.10 H new ATOM 0 HZ PHE A 119 -11.844 6.836 3.887 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.509 6.489 -2.915 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.005 6.559 -4.317 1.00 2.86 C ATOM 1699 C PRO A 120 -16.057 7.344 -5.228 1.00 3.02 C ATOM 1700 O PRO A 120 -15.176 8.040 -4.765 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.344 7.285 -4.182 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.222 8.133 -2.958 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.174 7.479 -2.051 1.00 3.80 C ATOM 0 HA PRO A 120 -17.085 5.572 -4.773 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.549 7.895 -5.062 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.166 6.576 -4.087 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -17.922 9.147 -3.222 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.181 8.207 -2.445 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.465 8.213 -1.669 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.638 7.004 -1.186 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.239 7.230 -6.516 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.391 7.936 -7.515 1.00 3.45 C ATOM 1713 C PRO A 121 -15.808 9.399 -7.690 1.00 3.18 C ATOM 1714 O PRO A 121 -15.062 10.211 -8.200 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.637 7.154 -8.805 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.011 6.586 -8.666 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.276 6.413 -7.167 1.00 2.74 C ATOM 0 HA PRO A 121 -14.344 7.968 -7.215 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.566 7.803 -9.678 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.896 6.365 -8.934 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.750 7.251 -9.114 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -17.087 5.630 -9.184 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.276 6.753 -6.898 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.204 5.367 -6.869 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.997 9.738 -7.270 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.462 11.146 -7.411 1.00 2.65 C ATOM 1727 C ASP A 122 -17.537 11.800 -6.030 1.00 2.94 C ATOM 1728 O ASP A 122 -18.076 11.240 -5.096 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.848 11.161 -8.058 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.061 9.866 -8.845 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -18.671 9.827 -9.999 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.609 8.937 -8.277 1.00 4.14 O ATOM 0 H ASP A 122 -17.665 9.101 -6.836 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.762 11.699 -8.037 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.617 11.264 -7.292 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.942 12.021 -8.721 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.999 12.981 -5.893 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.042 13.669 -4.571 1.00 3.57 C ATOM 1739 C GLY A 123 -15.657 14.232 -4.242 1.00 3.16 C ATOM 1740 O GLY A 123 -15.125 14.010 -3.173 1.00 3.47 O ATOM 0 H GLY A 123 -16.532 13.499 -6.638 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -17.777 14.473 -4.592 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.356 12.970 -3.796 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.070 14.960 -5.153 1.00 2.78 N ATOM 1745 CA ASP A 124 -13.722 15.536 -4.890 1.00 2.58 C ATOM 1746 C ASP A 124 -12.880 14.527 -4.106 1.00 2.15 C ATOM 1747 O ASP A 124 -11.926 14.882 -3.443 1.00 2.31 O ATOM 1748 CB ASP A 124 -13.866 16.822 -4.074 1.00 3.01 C ATOM 1749 CG ASP A 124 -12.834 17.847 -4.548 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -12.793 18.109 -5.739 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -12.102 18.352 -3.713 1.00 3.59 O ATOM 0 H ASP A 124 -15.466 15.180 -6.067 1.00 2.78 H new ATOM 0 HA ASP A 124 -13.232 15.760 -5.838 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.872 17.225 -4.186 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.724 16.610 -3.014 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.225 13.271 -4.179 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.445 12.240 -3.437 1.00 1.67 C ATOM 1758 C ALA A 125 -12.543 10.901 -4.173 1.00 1.39 C ATOM 1759 O ALA A 125 -13.204 9.985 -3.726 1.00 1.38 O ATOM 1760 CB ALA A 125 -13.014 12.088 -2.025 1.00 2.08 C ATOM 0 H ALA A 125 -14.013 12.914 -4.720 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.401 12.547 -3.377 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -12.444 11.334 -1.482 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -12.946 13.041 -1.501 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -14.058 11.780 -2.085 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.886 10.795 -5.296 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.891 9.553 -6.120 1.00 1.14 C ATOM 1768 C PRO A 126 -11.034 8.444 -5.502 1.00 1.05 C ATOM 1769 O PRO A 126 -10.749 8.452 -4.321 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.303 10.002 -7.458 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.454 11.189 -7.141 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.064 11.853 -5.905 1.00 1.39 C ATOM 0 HA PRO A 126 -12.891 9.128 -6.206 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.712 9.207 -7.914 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.090 10.260 -8.166 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.424 10.887 -6.949 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.431 11.883 -7.981 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.292 12.203 -5.219 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.667 12.720 -6.175 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.621 7.491 -6.293 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.785 6.384 -5.752 1.00 1.03 C ATOM 1782 C GLY A 127 -8.375 6.901 -5.458 1.00 1.09 C ATOM 1783 O GLY A 127 -7.937 7.887 -6.015 1.00 1.19 O ATOM 0 H GLY A 127 -10.827 7.432 -7.290 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.235 5.987 -4.842 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.740 5.565 -6.469 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.662 6.243 -4.585 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.282 6.698 -4.255 1.00 1.26 C ATOM 1789 C GLN A 128 -5.430 5.496 -3.846 1.00 1.11 C ATOM 1790 O GLN A 128 -5.884 4.605 -3.156 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.338 7.701 -3.100 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.051 8.529 -3.081 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.504 8.585 -1.653 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.563 7.891 -1.324 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -5.056 9.391 -0.787 1.00 1.99 N ATOM 0 H GLN A 128 -7.976 5.410 -4.086 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.839 7.175 -5.130 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.202 8.355 -3.214 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.459 7.175 -2.153 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.311 8.087 -3.749 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.248 9.537 -3.446 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.846 9.974 -1.064 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.697 9.438 0.167 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.194 5.466 -4.264 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.304 4.328 -3.899 1.00 0.91 C ATOM 1806 C VAL A 129 -1.851 4.752 -4.107 1.00 0.88 C ATOM 1807 O VAL A 129 -1.416 4.988 -5.217 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.623 3.119 -4.783 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.008 3.319 -6.170 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -3.039 1.854 -4.146 1.00 0.89 C ATOM 0 H VAL A 129 -3.761 6.184 -4.845 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.462 4.054 -2.856 1.00 0.91 H new ATOM 0 HB VAL A 129 -4.704 3.016 -4.878 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.236 2.457 -6.797 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -3.422 4.219 -6.625 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -1.927 3.424 -6.077 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -3.265 0.993 -4.774 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -1.958 1.960 -4.051 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -3.477 1.708 -3.159 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.098 4.866 -3.049 1.00 0.78 N ATOM 1821 CA ALA A 130 0.320 5.292 -3.194 1.00 0.85 C ATOM 1822 C ALA A 130 1.250 4.239 -2.590 1.00 0.75 C ATOM 1823 O ALA A 130 1.285 4.040 -1.392 1.00 0.73 O ATOM 1824 CB ALA A 130 0.519 6.626 -2.475 1.00 0.98 C ATOM 0 H ALA A 130 -1.403 4.683 -2.093 1.00 0.78 H new ATOM 0 HA ALA A 130 0.556 5.404 -4.252 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.557 6.943 -2.578 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.136 7.378 -2.915 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.278 6.509 -1.418 1.00 0.98 H new ATOM 1830 N PHE A 131 2.014 3.573 -3.412 1.00 0.75 N ATOM 1831 CA PHE A 131 2.953 2.544 -2.885 1.00 0.70 C ATOM 1832 C PHE A 131 4.097 3.252 -2.160 1.00 0.77 C ATOM 1833 O PHE A 131 4.882 3.954 -2.766 1.00 0.99 O ATOM 1834 CB PHE A 131 3.523 1.722 -4.043 1.00 0.70 C ATOM 1835 CG PHE A 131 2.556 0.627 -4.425 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.179 0.802 -4.233 1.00 1.49 C ATOM 1837 CD2 PHE A 131 3.039 -0.568 -4.973 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.289 -0.217 -4.590 1.00 1.73 C ATOM 1839 CE2 PHE A 131 2.148 -1.587 -5.329 1.00 1.54 C ATOM 1840 CZ PHE A 131 0.773 -1.411 -5.137 1.00 1.48 C ATOM 0 H PHE A 131 2.028 3.697 -4.424 1.00 0.75 H new ATOM 0 HA PHE A 131 2.425 1.880 -2.200 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.711 2.368 -4.901 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.481 1.288 -3.755 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.805 1.723 -3.810 1.00 1.49 H new ATOM 0 HD2 PHE A 131 4.100 -0.703 -5.121 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.772 -0.082 -4.443 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.521 -2.508 -5.751 1.00 1.54 H new ATOM 0 HZ PHE A 131 0.085 -2.197 -5.411 1.00 1.48 H new ATOM 1850 N HIS A 132 4.197 3.084 -0.871 1.00 0.82 N ATOM 1851 CA HIS A 132 5.288 3.762 -0.118 1.00 0.96 C ATOM 1852 C HIS A 132 6.431 2.778 0.138 1.00 1.03 C ATOM 1853 O HIS A 132 6.373 1.961 1.035 1.00 1.41 O ATOM 1854 CB HIS A 132 4.744 4.269 1.219 1.00 1.41 C ATOM 1855 CG HIS A 132 4.388 5.725 1.096 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.252 6.261 1.680 1.00 1.70 N ATOM 1857 CD2 HIS A 132 5.009 6.771 0.457 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.221 7.573 1.387 1.00 1.96 C ATOM 1859 NE2 HIS A 132 4.269 7.937 0.643 1.00 2.32 N ATOM 0 H HIS A 132 3.572 2.508 -0.308 1.00 0.82 H new ATOM 0 HA HIS A 132 5.661 4.602 -0.704 1.00 0.96 H new ATOM 0 HB2 HIS A 132 3.866 3.692 1.509 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.489 4.131 2.003 1.00 1.41 H new ATOM 0 HD1 HIS A 132 2.563 5.752 2.233 1.00 1.70 H new ATOM 0 HD2 HIS A 132 5.929 6.700 -0.103 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.444 8.249 1.713 1.00 1.96 H new ATOM 1867 N LEU A 133 7.474 2.855 -0.641 1.00 1.00 N ATOM 1868 CA LEU A 133 8.624 1.930 -0.440 1.00 1.39 C ATOM 1869 C LEU A 133 9.813 2.722 0.105 1.00 1.62 C ATOM 1870 O LEU A 133 10.715 2.173 0.707 1.00 2.04 O ATOM 1871 CB LEU A 133 9.007 1.287 -1.775 1.00 1.58 C ATOM 1872 CG LEU A 133 7.756 1.126 -2.640 1.00 1.41 C ATOM 1873 CD1 LEU A 133 7.570 2.376 -3.505 1.00 1.52 C ATOM 1874 CD2 LEU A 133 7.916 -0.098 -3.544 1.00 2.11 C ATOM 0 H LEU A 133 7.580 3.519 -1.408 1.00 1.00 H new ATOM 0 HA LEU A 133 8.346 1.149 0.267 1.00 1.39 H new ATOM 0 HB2 LEU A 133 9.742 1.905 -2.291 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.471 0.316 -1.603 1.00 1.58 H new ATOM 0 HG LEU A 133 6.885 0.994 -1.998 1.00 1.41 H new ATOM 0 HD11 LEU A 133 6.679 2.262 -4.122 1.00 1.52 H new ATOM 0 HD12 LEU A 133 7.458 3.250 -2.863 1.00 1.52 H new ATOM 0 HD13 LEU A 133 8.441 2.507 -4.147 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.025 -0.214 -4.161 1.00 2.11 H new ATOM 0 HD22 LEU A 133 8.787 0.035 -4.186 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.050 -0.989 -2.930 1.00 2.11 H new ATOM 1886 N GLY A 134 9.820 4.011 -0.095 1.00 1.46 N ATOM 1887 CA GLY A 134 10.947 4.838 0.418 1.00 1.77 C ATOM 1888 C GLY A 134 11.229 4.456 1.871 1.00 1.08 C ATOM 1889 O GLY A 134 10.323 4.225 2.646 1.00 0.83 O ATOM 0 H GLY A 134 9.094 4.527 -0.592 1.00 1.46 H new ATOM 0 HA2 GLY A 134 11.837 4.680 -0.191 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.698 5.897 0.350 1.00 1.77 H new ATOM 1893 N LYS A 135 12.476 4.383 2.245 1.00 1.23 N ATOM 1894 CA LYS A 135 12.813 4.010 3.649 1.00 1.09 C ATOM 1895 C LYS A 135 14.330 3.988 3.813 1.00 1.32 C ATOM 1896 O LYS A 135 15.038 3.378 3.039 1.00 1.76 O ATOM 1897 CB LYS A 135 12.253 2.616 3.965 1.00 1.93 C ATOM 1898 CG LYS A 135 10.828 2.716 4.527 1.00 2.37 C ATOM 1899 CD LYS A 135 10.719 1.855 5.787 1.00 3.36 C ATOM 1900 CE LYS A 135 11.278 2.628 6.983 1.00 4.04 C ATOM 1901 NZ LYS A 135 11.408 1.711 8.150 1.00 5.06 N ATOM 0 H LYS A 135 13.277 4.565 1.640 1.00 1.23 H new ATOM 0 HA LYS A 135 12.375 4.739 4.331 1.00 1.09 H new ATOM 0 HB2 LYS A 135 12.250 2.007 3.061 1.00 1.93 H new ATOM 0 HB3 LYS A 135 12.899 2.114 4.686 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.589 3.754 4.760 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.107 2.382 3.781 1.00 2.37 H new ATOM 0 HD2 LYS A 135 9.678 1.587 5.968 1.00 3.36 H new ATOM 0 HD3 LYS A 135 11.269 0.924 5.653 1.00 3.36 H new ATOM 0 HE2 LYS A 135 12.249 3.055 6.732 1.00 4.04 H new ATOM 0 HE3 LYS A 135 10.619 3.460 7.232 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 11.788 2.236 8.963 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 10.474 1.324 8.393 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 12.053 0.932 7.909 1.00 5.06 H new ATOM 1915 N ALA A 136 14.839 4.642 4.821 1.00 1.56 N ATOM 1916 CA ALA A 136 16.311 4.632 5.020 1.00 1.90 C ATOM 1917 C ALA A 136 16.782 3.184 4.912 1.00 2.22 C ATOM 1918 O ALA A 136 17.925 2.904 4.612 1.00 2.64 O ATOM 1919 CB ALA A 136 16.653 5.190 6.403 1.00 2.27 C ATOM 0 H ALA A 136 14.305 5.176 5.506 1.00 1.56 H new ATOM 0 HA ALA A 136 16.803 5.251 4.270 1.00 1.90 H new ATOM 0 HB1 ALA A 136 17.734 5.180 6.542 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.286 6.213 6.483 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.183 4.575 7.170 1.00 2.27 H new ATOM 1925 N GLY A 137 15.886 2.264 5.140 1.00 2.17 N ATOM 1926 CA GLY A 137 16.241 0.823 5.039 1.00 2.51 C ATOM 1927 C GLY A 137 15.646 0.267 3.744 1.00 1.81 C ATOM 1928 O GLY A 137 15.680 -0.921 3.495 1.00 2.11 O ATOM 0 H GLY A 137 14.916 2.452 5.394 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.324 0.698 5.043 1.00 2.51 H new ATOM 0 HA3 GLY A 137 15.854 0.276 5.899 1.00 2.51 H new ATOM 1932 N ALA A 138 15.095 1.127 2.927 1.00 1.23 N ATOM 1933 CA ALA A 138 14.488 0.675 1.642 1.00 1.37 C ATOM 1934 C ALA A 138 15.484 -0.181 0.857 1.00 1.13 C ATOM 1935 O ALA A 138 16.270 -0.919 1.415 1.00 1.41 O ATOM 1936 CB ALA A 138 14.108 1.897 0.805 1.00 2.32 C ATOM 0 H ALA A 138 15.040 2.131 3.098 1.00 1.23 H new ATOM 0 HA ALA A 138 13.601 0.080 1.860 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.664 1.570 -0.135 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.389 2.505 1.354 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.000 2.488 0.599 1.00 2.32 H new ATOM 1942 N TYR A 139 15.450 -0.091 -0.443 1.00 0.82 N ATOM 1943 CA TYR A 139 16.384 -0.906 -1.272 1.00 0.75 C ATOM 1944 C TYR A 139 16.017 -0.779 -2.754 1.00 0.76 C ATOM 1945 O TYR A 139 16.155 0.270 -3.350 1.00 0.83 O ATOM 1946 CB TYR A 139 16.297 -2.374 -0.845 1.00 0.74 C ATOM 1947 CG TYR A 139 14.864 -2.775 -0.547 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.780 -2.037 -1.053 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.622 -3.904 0.245 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.469 -2.432 -0.764 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.310 -4.297 0.532 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.234 -3.561 0.028 1.00 1.11 C ATOM 1953 OH TYR A 139 10.940 -3.948 0.311 1.00 1.32 O ATOM 0 H TYR A 139 14.816 0.511 -0.968 1.00 0.82 H new ATOM 0 HA TYR A 139 17.401 -0.543 -1.126 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.699 -3.009 -1.634 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.914 -2.536 0.039 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.959 -1.165 -1.665 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.452 -4.474 0.636 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.637 -1.864 -1.153 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.129 -5.169 1.143 1.00 1.42 H new ATOM 0 HH TYR A 139 10.943 -4.570 1.068 1.00 1.32 H new ATOM 1963 N GLU A 140 15.545 -1.841 -3.349 1.00 0.80 N ATOM 1964 CA GLU A 140 15.160 -1.788 -4.787 1.00 0.87 C ATOM 1965 C GLU A 140 13.786 -2.440 -4.961 1.00 0.77 C ATOM 1966 O GLU A 140 13.509 -3.481 -4.398 1.00 0.73 O ATOM 1967 CB GLU A 140 16.194 -2.545 -5.623 1.00 1.13 C ATOM 1968 CG GLU A 140 17.550 -1.844 -5.516 1.00 0.93 C ATOM 1969 CD GLU A 140 18.645 -2.883 -5.265 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.602 -3.925 -5.898 1.00 1.65 O ATOM 1971 OE2 GLU A 140 19.506 -2.620 -4.441 1.00 1.25 O ATOM 0 H GLU A 140 15.409 -2.746 -2.899 1.00 0.80 H new ATOM 0 HA GLU A 140 15.120 -0.750 -5.118 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.276 -3.574 -5.274 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.875 -2.586 -6.665 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.760 -1.294 -6.433 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.532 -1.116 -4.705 1.00 0.93 H new ATOM 1978 N PHE A 141 12.918 -1.836 -5.726 1.00 0.77 N ATOM 1979 CA PHE A 141 11.563 -2.427 -5.920 1.00 0.75 C ATOM 1980 C PHE A 141 11.309 -2.664 -7.410 1.00 0.72 C ATOM 1981 O PHE A 141 11.264 -1.738 -8.194 1.00 0.73 O ATOM 1982 CB PHE A 141 10.509 -1.466 -5.369 1.00 0.79 C ATOM 1983 CG PHE A 141 9.139 -2.091 -5.491 1.00 0.81 C ATOM 1984 CD1 PHE A 141 8.850 -3.281 -4.811 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.158 -1.480 -6.281 1.00 1.64 C ATOM 1986 CE1 PHE A 141 7.580 -3.859 -4.923 1.00 1.26 C ATOM 1987 CE2 PHE A 141 6.889 -2.060 -6.394 1.00 1.68 C ATOM 1988 CZ PHE A 141 6.600 -3.249 -5.714 1.00 1.00 C ATOM 0 H PHE A 141 13.087 -0.962 -6.224 1.00 0.77 H new ATOM 0 HA PHE A 141 11.505 -3.378 -5.391 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.723 -1.235 -4.325 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.540 -0.524 -5.916 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.606 -3.752 -4.201 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.380 -0.561 -6.803 1.00 1.64 H new ATOM 0 HE1 PHE A 141 7.356 -4.776 -4.399 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.133 -1.590 -7.006 1.00 1.68 H new ATOM 0 HZ PHE A 141 5.620 -3.696 -5.800 1.00 1.00 H new ATOM 1998 N CYS A 142 11.139 -3.897 -7.807 1.00 0.70 N ATOM 1999 CA CYS A 142 10.887 -4.190 -9.243 1.00 0.68 C ATOM 2000 C CYS A 142 9.418 -4.579 -9.437 1.00 0.68 C ATOM 2001 O CYS A 142 8.968 -5.593 -8.946 1.00 0.74 O ATOM 2002 CB CYS A 142 11.787 -5.344 -9.685 1.00 0.68 C ATOM 2003 SG CYS A 142 13.428 -4.702 -10.100 1.00 0.72 S ATOM 0 H CYS A 142 11.164 -4.713 -7.196 1.00 0.70 H new ATOM 0 HA CYS A 142 11.106 -3.306 -9.842 1.00 0.68 H new ATOM 0 HB2 CYS A 142 11.865 -6.085 -8.889 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.353 -5.848 -10.548 1.00 0.68 H new ATOM 2008 N ILE A 143 8.671 -3.774 -10.144 1.00 0.83 N ATOM 2009 CA ILE A 143 7.230 -4.081 -10.373 1.00 0.89 C ATOM 2010 C ILE A 143 6.970 -4.214 -11.871 1.00 0.92 C ATOM 2011 O ILE A 143 7.506 -3.483 -12.679 1.00 0.91 O ATOM 2012 CB ILE A 143 6.383 -2.960 -9.758 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.245 -2.520 -10.691 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.275 -1.756 -9.460 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.186 -3.621 -10.766 1.00 1.22 C ATOM 0 H ILE A 143 9.000 -2.911 -10.576 1.00 0.83 H new ATOM 0 HA ILE A 143 6.959 -5.024 -9.899 1.00 0.89 H new ATOM 0 HB ILE A 143 5.938 -3.347 -8.842 1.00 0.95 H new ATOM 0 HG12 ILE A 143 4.798 -1.596 -10.324 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.638 -2.311 -11.686 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.675 -0.958 -9.023 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.057 -2.047 -8.759 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.730 -1.402 -10.385 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.380 -3.306 -11.429 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.638 -4.535 -11.153 1.00 1.22 H new ATOM 0 HD13 ILE A 143 3.785 -3.808 -9.770 1.00 1.22 H new ATOM 2027 N SER A 144 6.142 -5.148 -12.236 1.00 1.00 N ATOM 2028 CA SER A 144 5.825 -5.349 -13.676 1.00 1.07 C ATOM 2029 C SER A 144 4.307 -5.346 -13.861 1.00 1.14 C ATOM 2030 O SER A 144 3.806 -5.170 -14.953 1.00 1.33 O ATOM 2031 CB SER A 144 6.392 -6.690 -14.143 1.00 1.17 C ATOM 2032 OG SER A 144 6.286 -7.637 -13.089 1.00 1.28 O ATOM 0 H SER A 144 5.668 -5.785 -11.596 1.00 1.00 H new ATOM 0 HA SER A 144 6.269 -4.545 -14.264 1.00 1.07 H new ATOM 0 HB2 SER A 144 5.849 -7.042 -15.020 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.434 -6.574 -14.439 1.00 1.17 H new ATOM 0 HG SER A 144 6.647 -8.498 -13.386 1.00 1.28 H new ATOM 2038 N GLN A 145 3.573 -5.525 -12.798 1.00 1.08 N ATOM 2039 CA GLN A 145 2.086 -5.522 -12.912 1.00 1.29 C ATOM 2040 C GLN A 145 1.476 -5.062 -11.586 1.00 1.38 C ATOM 2041 O GLN A 145 2.107 -5.120 -10.549 1.00 1.99 O ATOM 2042 CB GLN A 145 1.562 -6.927 -13.244 1.00 1.40 C ATOM 2043 CG GLN A 145 2.698 -7.834 -13.730 1.00 1.94 C ATOM 2044 CD GLN A 145 3.046 -7.490 -15.180 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.312 -6.627 -15.830 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 3.994 -8.013 -15.729 1.00 3.30 N flip ATOM 0 H GLN A 145 3.937 -5.673 -11.857 1.00 1.08 H new ATOM 0 HA GLN A 145 1.802 -4.841 -13.715 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.095 -7.363 -12.361 1.00 1.40 H new ATOM 0 HB3 GLN A 145 0.791 -6.860 -14.012 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.575 -7.707 -13.095 1.00 1.94 H new ATOM 0 HG3 GLN A 145 2.399 -8.880 -13.655 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.568 -8.687 -15.223 1.00 3.30 H new ATOM 0 HE22 GLN A 145 4.216 -7.778 -16.696 1.00 3.30 H new ATOM 2055 N VAL A 146 0.255 -4.605 -11.611 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.393 -4.142 -10.352 1.00 1.53 C ATOM 2057 C VAL A 146 -1.900 -3.992 -10.580 1.00 1.48 C ATOM 2058 O VAL A 146 -2.335 -3.315 -11.491 1.00 1.44 O ATOM 2059 CB VAL A 146 0.197 -2.792 -9.941 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.185 -1.731 -10.975 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.356 -2.390 -8.572 1.00 2.16 C ATOM 0 H VAL A 146 -0.322 -4.532 -12.449 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.215 -4.872 -9.562 1.00 1.53 H new ATOM 0 HB VAL A 146 1.283 -2.872 -9.887 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.236 -0.769 -10.682 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.207 -2.016 -11.951 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.271 -1.651 -11.030 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.064 -1.428 -8.278 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.442 -2.310 -8.627 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.085 -3.145 -7.834 1.00 2.16 H new ATOM 2071 N SER A 147 -2.699 -4.616 -9.760 1.00 1.63 N ATOM 2072 CA SER A 147 -4.175 -4.508 -9.930 1.00 1.76 C ATOM 2073 C SER A 147 -4.872 -5.052 -8.682 1.00 2.04 C ATOM 2074 O SER A 147 -4.399 -5.974 -8.047 1.00 2.17 O ATOM 2075 CB SER A 147 -4.609 -5.320 -11.151 1.00 2.02 C ATOM 2076 OG SER A 147 -5.605 -6.257 -10.761 1.00 2.76 O ATOM 0 H SER A 147 -2.394 -5.197 -8.979 1.00 1.63 H new ATOM 0 HA SER A 147 -4.449 -3.463 -10.073 1.00 1.76 H new ATOM 0 HB2 SER A 147 -4.999 -4.657 -11.923 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.752 -5.840 -11.580 1.00 2.02 H new ATOM 0 HG SER A 147 -5.995 -6.671 -11.559 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.992 -4.487 -8.322 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.715 -4.974 -7.114 1.00 2.65 C ATOM 2084 C LEU A 148 -8.019 -5.653 -7.538 1.00 2.54 C ATOM 2085 O LEU A 148 -8.646 -5.267 -8.504 1.00 3.02 O ATOM 2086 CB LEU A 148 -7.029 -3.790 -6.196 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.167 -2.964 -6.798 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -9.477 -3.308 -6.086 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.866 -1.475 -6.617 1.00 3.26 C ATOM 0 H LEU A 148 -6.437 -3.710 -8.812 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.091 -5.691 -6.581 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.310 -4.149 -5.206 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.142 -3.169 -6.070 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.259 -3.191 -7.860 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -10.289 -2.720 -6.514 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.692 -4.369 -6.212 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -9.385 -3.080 -5.024 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.676 -0.885 -7.046 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.775 -1.249 -5.555 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -6.932 -1.229 -7.122 1.00 3.26 H new ATOM 2101 N THR A 149 -8.430 -6.664 -6.823 1.00 2.09 N ATOM 2102 CA THR A 149 -9.691 -7.370 -7.185 1.00 2.24 C ATOM 2103 C THR A 149 -10.539 -7.577 -5.928 1.00 1.93 C ATOM 2104 O THR A 149 -10.388 -6.880 -4.944 1.00 1.84 O ATOM 2105 CB THR A 149 -9.356 -8.729 -7.803 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.547 -9.491 -7.940 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.372 -9.474 -6.900 1.00 2.42 C ATOM 0 H THR A 149 -7.947 -7.032 -6.003 1.00 2.09 H new ATOM 0 HA THR A 149 -10.248 -6.771 -7.905 1.00 2.24 H new ATOM 0 HB THR A 149 -8.904 -8.581 -8.784 1.00 2.53 H new ATOM 0 HG1 THR A 149 -10.564 -9.915 -8.823 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.134 -10.442 -7.341 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.459 -8.888 -6.796 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.821 -9.624 -5.918 1.00 2.42 H new ATOM 2115 N THR A 150 -11.431 -8.529 -5.952 1.00 1.92 N ATOM 2116 CA THR A 150 -12.286 -8.779 -4.759 1.00 1.72 C ATOM 2117 C THR A 150 -12.446 -10.286 -4.557 1.00 1.75 C ATOM 2118 O THR A 150 -12.405 -10.785 -3.449 1.00 2.00 O ATOM 2119 CB THR A 150 -13.660 -8.136 -4.975 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.195 -7.737 -3.722 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.608 -9.134 -5.642 1.00 1.66 C ATOM 0 H THR A 150 -11.604 -9.144 -6.747 1.00 1.92 H new ATOM 0 HA THR A 150 -11.820 -8.344 -3.875 1.00 1.72 H new ATOM 0 HB THR A 150 -13.550 -7.265 -5.622 1.00 1.59 H new ATOM 0 HG1 THR A 150 -15.073 -7.324 -3.858 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.582 -8.667 -5.791 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.199 -9.436 -6.606 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.720 -10.011 -5.005 1.00 1.66 H new