USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 829 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 92 GLN :FLIP amide:sc= -0.311 F(o=-1.2,f=-0.65) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.342 K(o=-0.65,f=-1.4) USER MOD Set 2.1: A 91 THR OG1 : rot -126:sc= 1.64 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.497 K(o=2.1,f=1.3) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.0918 K(o=-0.05,f=-1.3) USER MOD Set 3.2: A 109 SER OG : rot 89:sc= 0.042 USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0.355 USER MOD Set 4.2: A 49 TYR OH : rot -43:sc= 0.381 USER MOD Single : A 10 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.15) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.18 (180deg=1.1) USER MOD Single : A 14 HIS : no HD1:sc= -0.909 X(o=-0.91,f=-0.8) USER MOD Single : A 16 GLN : amide:sc= 1.03 K(o=1,f=-0.69) USER MOD Single : A 34 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.0074) USER MOD Single : A 35 SER OG : rot 46:sc= 0.15 USER MOD Single : A 43 SER OG : rot -50:sc= 0.392 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -120:sc= 0.295 USER MOD Single : A 61 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.26) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.106 USER MOD Single : A 87 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.19) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 170:sc= 0.121 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 74:sc= 0.399 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.975 10.770 -8.308 1.00 0.00 N ATOM 67 CA GLU A 8 -1.351 11.512 -7.104 1.00 0.00 C ATOM 68 C GLU A 8 -0.287 11.342 -6.010 1.00 0.00 C ATOM 69 O GLU A 8 -0.569 11.434 -4.824 1.00 0.00 O ATOM 70 CB GLU A 8 -2.805 11.171 -6.701 1.00 0.00 C ATOM 71 CG GLU A 8 -3.784 11.518 -7.847 1.00 0.00 C ATOM 72 CD GLU A 8 -5.259 11.284 -7.505 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.775 12.000 -6.615 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.931 10.487 -8.202 1.00 0.00 O ATOM 0 HA GLU A 8 -1.364 12.585 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.882 10.111 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.078 11.724 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.648 12.564 -8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.527 10.922 -8.723 1.00 0.00 H new ATOM 81 N VAL A 9 0.957 11.085 -6.417 1.00 0.00 N ATOM 82 CA VAL A 9 2.083 10.693 -5.588 1.00 0.00 C ATOM 83 C VAL A 9 2.352 11.772 -4.548 1.00 0.00 C ATOM 84 O VAL A 9 2.425 11.491 -3.356 1.00 0.00 O ATOM 85 CB VAL A 9 3.319 10.475 -6.493 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.464 9.816 -5.720 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.994 9.644 -7.745 1.00 0.00 C ATOM 0 H VAL A 9 1.215 11.151 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 9 1.861 9.764 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 9 3.632 11.466 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.318 9.676 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.754 10.454 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.137 8.848 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.896 9.521 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.622 8.664 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.234 10.156 -8.334 1.00 0.00 H new ATOM 97 N GLN A 10 2.555 13.002 -5.024 1.00 0.00 N ATOM 98 CA GLN A 10 3.067 14.104 -4.229 1.00 0.00 C ATOM 99 C GLN A 10 1.977 14.734 -3.363 1.00 0.00 C ATOM 100 O GLN A 10 2.292 15.551 -2.490 1.00 0.00 O ATOM 101 CB GLN A 10 3.694 15.161 -5.146 1.00 0.00 C ATOM 102 CG GLN A 10 4.820 14.580 -6.006 1.00 0.00 C ATOM 103 CD GLN A 10 5.968 14.036 -5.155 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.430 14.686 -4.217 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.442 12.843 -5.454 1.00 0.00 N ATOM 0 H GLN A 10 2.362 13.258 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 10 3.829 13.707 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.924 15.582 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.085 15.979 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.423 13.781 -6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.199 15.351 -6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.047 12.318 -6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.204 12.444 -4.905 1.00 0.00 H new ATOM 114 N LYS A 11 0.711 14.361 -3.577 1.00 0.00 N ATOM 115 CA LYS A 11 -0.375 14.696 -2.656 1.00 0.00 C ATOM 116 C LYS A 11 -0.041 14.212 -1.240 1.00 0.00 C ATOM 117 O LYS A 11 0.785 13.306 -1.074 1.00 0.00 O ATOM 118 CB LYS A 11 -1.698 14.071 -3.117 1.00 0.00 C ATOM 119 CG LYS A 11 -2.298 14.706 -4.379 1.00 0.00 C ATOM 120 CD LYS A 11 -3.813 14.470 -4.371 1.00 0.00 C ATOM 121 CE LYS A 11 -4.529 15.203 -5.506 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.945 15.447 -5.165 1.00 0.00 N ATOM 0 H LYS A 11 0.413 13.821 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.486 15.780 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.538 13.009 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.423 14.148 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.081 15.774 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.851 14.268 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.011 13.401 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.223 14.798 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.030 16.152 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.467 14.614 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.328 16.190 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.490 14.571 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.016 15.752 -4.173 1.00 0.00 H new ATOM 136 N PRO A 12 -0.696 14.743 -0.195 1.00 0.00 N ATOM 137 CA PRO A 12 -0.602 14.150 1.126 1.00 0.00 C ATOM 138 C PRO A 12 -1.160 12.730 1.084 1.00 0.00 C ATOM 139 O PRO A 12 -1.849 12.346 0.136 1.00 0.00 O ATOM 140 CB PRO A 12 -1.430 15.043 2.043 1.00 0.00 C ATOM 141 CG PRO A 12 -2.458 15.673 1.105 1.00 0.00 C ATOM 142 CD PRO A 12 -1.689 15.808 -0.204 1.00 0.00 C ATOM 0 HA PRO A 12 0.426 14.082 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.910 14.468 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.814 15.800 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.340 15.043 0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.801 16.640 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.356 15.713 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.213 16.786 -0.278 1.00 0.00 H new ATOM 150 N LEU A 13 -0.892 11.947 2.128 1.00 0.00 N ATOM 151 CA LEU A 13 -1.489 10.628 2.302 1.00 0.00 C ATOM 152 C LEU A 13 -3.004 10.752 2.462 1.00 0.00 C ATOM 153 O LEU A 13 -3.730 9.858 2.039 1.00 0.00 O ATOM 154 CB LEU A 13 -0.795 9.926 3.478 1.00 0.00 C ATOM 155 CG LEU A 13 -1.097 8.418 3.674 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.100 7.764 4.364 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.281 8.172 4.603 1.00 0.00 C ATOM 0 H LEU A 13 -0.253 12.212 2.878 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.336 10.007 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.282 10.043 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.069 10.449 4.394 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.310 8.012 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.099 6.702 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.988 7.886 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.265 8.237 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.447 7.100 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.070 8.600 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.173 8.640 4.187 1.00 0.00 H new ATOM 169 N HIS A 14 -3.489 11.870 3.013 1.00 0.00 N ATOM 170 CA HIS A 14 -4.899 12.022 3.342 1.00 0.00 C ATOM 171 C HIS A 14 -5.786 12.437 2.151 1.00 0.00 C ATOM 172 O HIS A 14 -6.955 12.760 2.354 1.00 0.00 O ATOM 173 CB HIS A 14 -5.061 13.003 4.515 1.00 0.00 C ATOM 174 CG HIS A 14 -4.772 14.447 4.184 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.602 15.290 3.486 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.674 15.166 4.570 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.009 16.494 3.442 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.827 16.470 4.087 1.00 0.00 N ATOM 0 H HIS A 14 -2.917 12.684 3.239 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.254 11.033 3.632 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.081 12.930 4.892 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.399 12.692 5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.839 14.794 5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.424 17.364 2.955 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.175 17.246 4.200 1.00 0.00 H new ATOM 186 N GLU A 15 -5.256 12.480 0.926 1.00 0.00 N ATOM 187 CA GLU A 15 -6.036 12.679 -0.302 1.00 0.00 C ATOM 188 C GLU A 15 -5.973 11.430 -1.197 1.00 0.00 C ATOM 189 O GLU A 15 -6.395 11.470 -2.353 1.00 0.00 O ATOM 190 CB GLU A 15 -5.509 13.904 -1.075 1.00 0.00 C ATOM 191 CG GLU A 15 -6.079 15.257 -0.642 1.00 0.00 C ATOM 192 CD GLU A 15 -5.711 16.310 -1.692 1.00 0.00 C ATOM 193 OE1 GLU A 15 -4.580 16.843 -1.658 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.497 16.560 -2.641 1.00 0.00 O ATOM 0 H GLU A 15 -4.256 12.376 0.755 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.075 12.853 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.424 13.937 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.724 13.762 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.162 15.193 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.679 15.540 0.332 1.00 0.00 H new ATOM 201 N GLN A 16 -5.345 10.353 -0.730 1.00 0.00 N ATOM 202 CA GLN A 16 -4.981 9.245 -1.595 1.00 0.00 C ATOM 203 C GLN A 16 -6.152 8.278 -1.857 1.00 0.00 C ATOM 204 O GLN A 16 -7.253 8.476 -1.351 1.00 0.00 O ATOM 205 CB GLN A 16 -3.814 8.519 -0.953 1.00 0.00 C ATOM 206 CG GLN A 16 -2.501 9.276 -0.802 1.00 0.00 C ATOM 207 CD GLN A 16 -1.768 9.537 -2.108 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.782 8.711 -3.017 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.052 10.642 -2.190 1.00 0.00 N ATOM 0 H GLN A 16 -5.079 10.229 0.247 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.703 9.640 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.128 8.192 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.617 7.620 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.701 10.231 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.845 8.712 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.058 11.312 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.493 10.827 -3.023 1.00 0.00 H new ATOM 218 N LEU A 17 -5.908 7.243 -2.678 1.00 0.00 N ATOM 219 CA LEU A 17 -6.897 6.333 -3.240 1.00 0.00 C ATOM 220 C LEU A 17 -6.872 4.983 -2.521 1.00 0.00 C ATOM 221 O LEU A 17 -7.873 4.612 -1.917 1.00 0.00 O ATOM 222 CB LEU A 17 -6.716 6.185 -4.768 1.00 0.00 C ATOM 223 CG LEU A 17 -5.269 6.097 -5.312 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.204 5.173 -6.531 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.707 7.473 -5.700 1.00 0.00 C ATOM 0 H LEU A 17 -4.961 7.014 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.885 6.763 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.249 5.289 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.205 7.033 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.659 5.693 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.178 5.126 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.535 4.174 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.852 5.561 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.690 7.358 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.332 7.916 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.699 8.123 -4.825 1.00 0.00 H new ATOM 237 N TRP A 18 -5.748 4.261 -2.586 1.00 0.00 N ATOM 238 CA TRP A 18 -5.499 2.990 -1.908 1.00 0.00 C ATOM 239 C TRP A 18 -5.546 3.097 -0.371 1.00 0.00 C ATOM 240 O TRP A 18 -5.578 2.074 0.317 1.00 0.00 O ATOM 241 CB TRP A 18 -4.201 2.357 -2.469 1.00 0.00 C ATOM 242 CG TRP A 18 -2.975 3.224 -2.647 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.555 3.794 -3.804 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.060 3.728 -1.626 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.519 4.668 -3.565 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.226 4.712 -2.227 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.091 3.720 -0.214 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.451 5.591 -1.474 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.318 4.604 0.565 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.471 5.527 -0.068 1.00 0.00 C ATOM 0 H TRP A 18 -4.949 4.565 -3.142 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.319 2.307 -2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.927 1.532 -1.811 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.440 1.924 -3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.975 3.590 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.037 5.208 -4.284 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.731 3.010 0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.167 6.324 -1.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.377 4.571 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.158 6.181 0.517 1.00 0.00 H new ATOM 261 N TYR A 19 -5.592 4.303 0.197 1.00 0.00 N ATOM 262 CA TYR A 19 -5.671 4.561 1.622 1.00 0.00 C ATOM 263 C TYR A 19 -7.138 4.441 2.079 1.00 0.00 C ATOM 264 O TYR A 19 -7.839 5.448 2.180 1.00 0.00 O ATOM 265 CB TYR A 19 -5.066 5.932 1.964 1.00 0.00 C ATOM 266 CG TYR A 19 -5.093 6.217 3.457 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.810 5.198 4.394 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.474 7.492 3.912 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.938 5.441 5.770 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.601 7.741 5.290 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.358 6.713 6.229 1.00 0.00 C ATOM 272 OH TYR A 19 -5.578 6.968 7.549 1.00 0.00 O ATOM 0 H TYR A 19 -5.574 5.160 -0.355 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.083 3.819 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.037 5.972 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.617 6.711 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.493 4.225 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.669 8.282 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.716 4.657 6.479 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.886 8.724 5.633 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.860 7.900 7.660 1.00 0.00 H new ATOM 282 N HIS A 20 -7.628 3.224 2.346 1.00 0.00 N ATOM 283 CA HIS A 20 -9.031 3.032 2.760 1.00 0.00 C ATOM 284 C HIS A 20 -9.273 3.429 4.230 1.00 0.00 C ATOM 285 O HIS A 20 -10.426 3.581 4.630 1.00 0.00 O ATOM 286 CB HIS A 20 -9.529 1.601 2.472 1.00 0.00 C ATOM 287 CG HIS A 20 -9.904 1.342 1.032 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.169 1.075 0.550 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.052 1.315 -0.040 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.079 0.918 -0.777 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.804 1.032 -1.180 1.00 0.00 N ATOM 0 H HIS A 20 -7.084 2.364 2.285 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.624 3.712 2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.752 0.895 2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.396 1.399 3.101 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.022 1.009 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.986 1.483 -0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.916 0.726 -1.432 1.00 0.00 H new ATOM 299 N GLY A 21 -8.221 3.644 5.028 1.00 0.00 N ATOM 300 CA GLY A 21 -8.278 4.227 6.353 1.00 0.00 C ATOM 301 C GLY A 21 -7.887 3.163 7.352 1.00 0.00 C ATOM 302 O GLY A 21 -6.809 2.587 7.251 1.00 0.00 O ATOM 0 H GLY A 21 -7.271 3.403 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.604 5.080 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.282 4.596 6.563 1.00 0.00 H new ATOM 306 N ALA A 22 -8.763 2.895 8.302 1.00 0.00 N ATOM 307 CA ALA A 22 -8.777 1.775 9.221 1.00 0.00 C ATOM 308 C ALA A 22 -9.853 0.801 8.744 1.00 0.00 C ATOM 309 O ALA A 22 -11.041 1.115 8.809 1.00 0.00 O ATOM 310 CB ALA A 22 -9.067 2.282 10.637 1.00 0.00 C ATOM 0 H ALA A 22 -9.557 3.515 8.464 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.813 1.266 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.078 1.440 11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.293 2.988 10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.037 2.779 10.654 1.00 0.00 H new ATOM 316 N ILE A 23 -9.435 -0.356 8.230 1.00 0.00 N ATOM 317 CA ILE A 23 -10.323 -1.415 7.754 1.00 0.00 C ATOM 318 C ILE A 23 -9.762 -2.734 8.310 1.00 0.00 C ATOM 319 O ILE A 23 -8.533 -2.882 8.378 1.00 0.00 O ATOM 320 CB ILE A 23 -10.507 -1.400 6.199 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.166 -2.762 5.552 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.748 -0.257 5.492 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.469 -2.871 4.065 1.00 0.00 C ATOM 0 H ILE A 23 -8.447 -0.587 8.131 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.340 -1.268 8.118 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.570 -1.208 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.106 -2.963 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.717 -3.543 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.924 -0.313 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.103 0.703 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.680 -0.352 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.194 -3.864 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.534 -2.708 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.897 -2.119 3.521 1.00 0.00 H new ATOM 335 N PRO A 24 -10.613 -3.709 8.669 1.00 0.00 N ATOM 336 CA PRO A 24 -10.173 -4.999 9.174 1.00 0.00 C ATOM 337 C PRO A 24 -9.607 -5.894 8.066 1.00 0.00 C ATOM 338 O PRO A 24 -9.902 -5.739 6.881 1.00 0.00 O ATOM 339 CB PRO A 24 -11.423 -5.641 9.773 1.00 0.00 C ATOM 340 CG PRO A 24 -12.553 -5.046 8.949 1.00 0.00 C ATOM 341 CD PRO A 24 -12.066 -3.637 8.631 1.00 0.00 C ATOM 0 HA PRO A 24 -9.369 -4.874 9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.395 -6.728 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.529 -5.403 10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.733 -5.622 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.489 -5.030 9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.417 -3.312 7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.442 -2.918 9.359 1.00 0.00 H new ATOM 349 N ARG A 25 -8.860 -6.929 8.457 1.00 0.00 N ATOM 350 CA ARG A 25 -8.304 -7.915 7.528 1.00 0.00 C ATOM 351 C ARG A 25 -9.365 -8.680 6.745 1.00 0.00 C ATOM 352 O ARG A 25 -9.053 -9.217 5.683 1.00 0.00 O ATOM 353 CB ARG A 25 -7.405 -8.902 8.288 1.00 0.00 C ATOM 354 CG ARG A 25 -8.146 -9.905 9.194 1.00 0.00 C ATOM 355 CD ARG A 25 -7.158 -10.779 9.974 1.00 0.00 C ATOM 356 NE ARG A 25 -7.846 -11.867 10.702 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.356 -12.577 11.729 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.176 -12.298 12.271 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.038 -13.590 12.249 1.00 0.00 N ATOM 0 H ARG A 25 -8.623 -7.107 9.433 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.721 -7.355 6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.813 -9.461 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.705 -8.333 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.787 -9.365 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.795 -10.537 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.428 -11.206 9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.605 -10.161 10.681 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.789 -12.101 10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.617 -11.526 11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.829 -12.855 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.950 -13.840 11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.650 -14.119 13.030 1.00 0.00 H new ATOM 373 N ALA A 26 -10.572 -8.793 7.294 1.00 0.00 N ATOM 374 CA ALA A 26 -11.658 -9.552 6.705 1.00 0.00 C ATOM 375 C ALA A 26 -12.230 -8.840 5.482 1.00 0.00 C ATOM 376 O ALA A 26 -12.588 -9.507 4.510 1.00 0.00 O ATOM 377 CB ALA A 26 -12.732 -9.723 7.773 1.00 0.00 C ATOM 0 H ALA A 26 -10.821 -8.349 8.178 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.293 -10.522 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.566 -10.291 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.314 -10.257 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.084 -8.743 8.095 1.00 0.00 H new ATOM 383 N GLU A 27 -12.290 -7.510 5.518 1.00 0.00 N ATOM 384 CA GLU A 27 -12.832 -6.693 4.439 1.00 0.00 C ATOM 385 C GLU A 27 -11.926 -6.762 3.211 1.00 0.00 C ATOM 386 O GLU A 27 -12.422 -6.931 2.107 1.00 0.00 O ATOM 387 CB GLU A 27 -13.015 -5.256 4.953 1.00 0.00 C ATOM 388 CG GLU A 27 -14.327 -5.157 5.735 1.00 0.00 C ATOM 389 CD GLU A 27 -14.761 -3.762 6.167 1.00 0.00 C ATOM 390 OE1 GLU A 27 -14.289 -2.759 5.597 1.00 0.00 O ATOM 391 OE2 GLU A 27 -15.645 -3.683 7.057 1.00 0.00 O ATOM 0 H GLU A 27 -11.957 -6.963 6.312 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.805 -7.072 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.177 -4.977 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.024 -4.558 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.121 -5.587 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.240 -5.778 6.627 1.00 0.00 H new ATOM 398 N VAL A 28 -10.603 -6.735 3.408 1.00 0.00 N ATOM 399 CA VAL A 28 -9.571 -6.674 2.372 1.00 0.00 C ATOM 400 C VAL A 28 -9.935 -7.460 1.109 1.00 0.00 C ATOM 401 O VAL A 28 -9.967 -6.867 0.033 1.00 0.00 O ATOM 402 CB VAL A 28 -8.230 -7.148 2.972 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.114 -7.274 1.929 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.741 -6.201 4.078 1.00 0.00 C ATOM 0 H VAL A 28 -10.204 -6.756 4.347 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.482 -5.638 2.045 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.439 -8.136 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.198 -7.611 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.408 -7.996 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.941 -6.304 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.795 -6.566 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.600 -5.202 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.481 -6.162 4.877 1.00 0.00 H new ATOM 414 N ALA A 29 -10.146 -8.779 1.204 1.00 0.00 N ATOM 415 CA ALA A 29 -10.308 -9.604 -0.002 1.00 0.00 C ATOM 416 C ALA A 29 -11.542 -9.237 -0.839 1.00 0.00 C ATOM 417 O ALA A 29 -11.652 -9.696 -1.967 1.00 0.00 O ATOM 418 CB ALA A 29 -10.416 -11.086 0.329 1.00 0.00 C ATOM 0 H ALA A 29 -10.208 -9.291 2.084 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.408 -9.400 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.534 -11.657 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.512 -11.411 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.279 -11.253 0.973 1.00 0.00 H new ATOM 424 N GLU A 30 -12.482 -8.469 -0.295 1.00 0.00 N ATOM 425 CA GLU A 30 -13.667 -7.989 -1.000 1.00 0.00 C ATOM 426 C GLU A 30 -13.361 -6.733 -1.831 1.00 0.00 C ATOM 427 O GLU A 30 -14.153 -6.347 -2.690 1.00 0.00 O ATOM 428 CB GLU A 30 -14.798 -7.792 0.029 1.00 0.00 C ATOM 429 CG GLU A 30 -15.057 -6.359 0.541 1.00 0.00 C ATOM 430 CD GLU A 30 -15.697 -6.322 1.939 1.00 0.00 C ATOM 431 OE1 GLU A 30 -16.307 -7.329 2.387 1.00 0.00 O ATOM 432 OE2 GLU A 30 -15.607 -5.274 2.609 1.00 0.00 O ATOM 0 H GLU A 30 -12.439 -8.155 0.674 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.999 -8.727 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.723 -8.163 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.581 -8.423 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.114 -5.813 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.708 -5.840 -0.163 1.00 0.00 H new ATOM 439 N LEU A 31 -12.215 -6.093 -1.585 1.00 0.00 N ATOM 440 CA LEU A 31 -11.771 -4.868 -2.235 1.00 0.00 C ATOM 441 C LEU A 31 -10.764 -5.220 -3.314 1.00 0.00 C ATOM 442 O LEU A 31 -10.848 -4.712 -4.435 1.00 0.00 O ATOM 443 CB LEU A 31 -11.104 -3.934 -1.209 1.00 0.00 C ATOM 444 CG LEU A 31 -12.025 -3.553 -0.035 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.282 -2.648 0.930 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.279 -2.814 -0.493 1.00 0.00 C ATOM 0 H LEU A 31 -11.545 -6.434 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.632 -4.361 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.210 -4.418 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.779 -3.025 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.323 -4.486 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.939 -2.382 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.405 -3.168 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.968 -1.743 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.894 -2.569 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.993 -1.896 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.847 -3.449 -1.173 1.00 0.00 H new ATOM 458 N LEU A 32 -9.789 -6.056 -2.952 1.00 0.00 N ATOM 459 CA LEU A 32 -8.787 -6.590 -3.853 1.00 0.00 C ATOM 460 C LEU A 32 -9.469 -7.656 -4.713 1.00 0.00 C ATOM 461 O LEU A 32 -10.349 -8.341 -4.202 1.00 0.00 O ATOM 462 CB LEU A 32 -7.630 -7.227 -3.050 1.00 0.00 C ATOM 463 CG LEU A 32 -7.113 -6.526 -1.773 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.833 -7.193 -1.271 1.00 0.00 C ATOM 465 CD2 LEU A 32 -6.823 -5.034 -1.918 1.00 0.00 C ATOM 0 H LEU A 32 -9.679 -6.385 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.371 -5.796 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.944 -8.232 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.784 -7.336 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.938 -6.630 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.486 -6.684 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.034 -8.239 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.065 -7.132 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.466 -4.639 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.061 -4.884 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.735 -4.513 -2.208 1.00 0.00 H new ATOM 477 N VAL A 33 -9.075 -7.860 -5.971 1.00 0.00 N ATOM 478 CA VAL A 33 -9.737 -8.844 -6.845 1.00 0.00 C ATOM 479 C VAL A 33 -8.746 -9.604 -7.741 1.00 0.00 C ATOM 480 O VAL A 33 -9.013 -10.738 -8.154 1.00 0.00 O ATOM 481 CB VAL A 33 -10.816 -8.112 -7.690 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.720 -9.082 -8.459 1.00 0.00 C ATOM 483 CG2 VAL A 33 -11.736 -7.183 -6.880 1.00 0.00 C ATOM 0 H VAL A 33 -8.303 -7.360 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.207 -9.602 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.221 -7.509 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.455 -8.517 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.115 -9.683 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.234 -9.736 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.458 -6.713 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.265 -7.763 -6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.138 -6.413 -6.393 1.00 0.00 H new ATOM 493 N HIS A 34 -7.585 -9.026 -8.023 1.00 0.00 N ATOM 494 CA HIS A 34 -6.602 -9.524 -8.968 1.00 0.00 C ATOM 495 C HIS A 34 -5.237 -9.517 -8.287 1.00 0.00 C ATOM 496 O HIS A 34 -5.009 -8.755 -7.343 1.00 0.00 O ATOM 497 CB HIS A 34 -6.624 -8.615 -10.204 1.00 0.00 C ATOM 498 CG HIS A 34 -8.004 -8.441 -10.797 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.773 -9.408 -11.413 1.00 0.00 N ATOM 500 CD2 HIS A 34 -8.763 -7.306 -10.705 1.00 0.00 C ATOM 501 CE1 HIS A 34 -9.967 -8.859 -11.700 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.000 -7.572 -11.305 1.00 0.00 N ATOM 0 H HIS A 34 -7.293 -8.157 -7.576 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.822 -10.543 -9.285 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.227 -7.637 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.960 -9.030 -10.963 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.462 -6.373 -10.251 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.784 -9.377 -12.180 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.775 -6.919 -11.420 1.00 0.00 H new ATOM 510 N SER A 35 -4.322 -10.374 -8.736 1.00 0.00 N ATOM 511 CA SER A 35 -2.994 -10.469 -8.146 1.00 0.00 C ATOM 512 C SER A 35 -2.240 -9.170 -8.427 1.00 0.00 C ATOM 513 O SER A 35 -1.751 -8.967 -9.547 1.00 0.00 O ATOM 514 CB SER A 35 -2.257 -11.695 -8.690 1.00 0.00 C ATOM 515 OG SER A 35 -2.385 -11.779 -10.099 1.00 0.00 O ATOM 0 H SER A 35 -4.481 -11.016 -9.513 1.00 0.00 H new ATOM 0 HA SER A 35 -3.066 -10.600 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.203 -11.640 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.657 -12.599 -8.230 1.00 0.00 H new ATOM 0 HG SER A 35 -2.216 -10.899 -10.496 1.00 0.00 H new ATOM 521 N GLY A 36 -2.185 -8.271 -7.446 1.00 0.00 N ATOM 522 CA GLY A 36 -1.626 -6.946 -7.629 1.00 0.00 C ATOM 523 C GLY A 36 -2.367 -5.843 -6.919 1.00 0.00 C ATOM 524 O GLY A 36 -1.763 -4.795 -6.679 1.00 0.00 O ATOM 0 H GLY A 36 -2.529 -8.448 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.593 -6.952 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.603 -6.721 -8.695 1.00 0.00 H new ATOM 528 N ASP A 37 -3.647 -6.070 -6.631 1.00 0.00 N ATOM 529 CA ASP A 37 -4.459 -5.153 -5.853 1.00 0.00 C ATOM 530 C ASP A 37 -3.829 -5.029 -4.467 1.00 0.00 C ATOM 531 O ASP A 37 -3.512 -6.050 -3.849 1.00 0.00 O ATOM 532 CB ASP A 37 -5.907 -5.639 -5.689 1.00 0.00 C ATOM 533 CG ASP A 37 -6.847 -5.382 -6.860 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.360 -4.252 -7.001 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.199 -6.359 -7.542 1.00 0.00 O ATOM 0 H ASP A 37 -4.149 -6.904 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.491 -4.199 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.887 -6.712 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.328 -5.164 -4.803 1.00 0.00 H new ATOM 540 N PHE A 38 -3.639 -3.806 -3.970 1.00 0.00 N ATOM 541 CA PHE A 38 -3.224 -3.495 -2.615 1.00 0.00 C ATOM 542 C PHE A 38 -4.042 -2.326 -2.082 1.00 0.00 C ATOM 543 O PHE A 38 -4.465 -1.438 -2.822 1.00 0.00 O ATOM 544 CB PHE A 38 -1.719 -3.170 -2.549 1.00 0.00 C ATOM 545 CG PHE A 38 -1.296 -1.916 -3.283 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.966 -1.989 -4.645 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.283 -0.668 -2.630 1.00 0.00 C ATOM 548 CE1 PHE A 38 -0.772 -0.813 -5.372 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.999 0.503 -3.354 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.767 0.433 -4.734 1.00 0.00 C ATOM 0 H PHE A 38 -3.779 -2.969 -4.535 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.400 -4.373 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.430 -3.074 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.163 -4.015 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.863 -2.949 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.491 -0.611 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.624 -0.865 -6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.960 1.456 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.586 1.334 -5.301 1.00 0.00 H new ATOM 560 N LEU A 39 -4.173 -2.285 -0.760 1.00 0.00 N ATOM 561 CA LEU A 39 -4.650 -1.134 -0.020 1.00 0.00 C ATOM 562 C LEU A 39 -3.766 -0.945 1.206 1.00 0.00 C ATOM 563 O LEU A 39 -3.074 -1.875 1.645 1.00 0.00 O ATOM 564 CB LEU A 39 -6.148 -1.273 0.297 1.00 0.00 C ATOM 565 CG LEU A 39 -6.522 -2.291 1.394 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.626 -1.658 2.770 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.887 -2.893 1.076 1.00 0.00 C ATOM 0 H LEU A 39 -3.942 -3.078 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.573 -0.226 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.527 -0.295 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.668 -1.551 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.730 -3.040 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.892 -2.421 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.668 -1.214 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.394 -0.884 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.156 -3.613 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.635 -2.101 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.847 -3.396 0.110 1.00 0.00 H new ATOM 579 N VAL A 40 -3.780 0.272 1.739 1.00 0.00 N ATOM 580 CA VAL A 40 -3.133 0.628 2.989 1.00 0.00 C ATOM 581 C VAL A 40 -4.262 0.840 3.979 1.00 0.00 C ATOM 582 O VAL A 40 -5.188 1.616 3.727 1.00 0.00 O ATOM 583 CB VAL A 40 -2.219 1.853 2.817 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.640 2.343 4.152 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.051 1.491 1.882 1.00 0.00 C ATOM 0 H VAL A 40 -4.257 1.058 1.297 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.461 -0.151 3.350 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.828 2.654 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.002 3.209 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.454 2.622 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.052 1.546 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.402 2.358 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.480 0.669 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.443 1.190 0.910 1.00 0.00 H new ATOM 595 N ARG A 41 -4.202 0.083 5.070 1.00 0.00 N ATOM 596 CA ARG A 41 -5.171 0.101 6.151 1.00 0.00 C ATOM 597 C ARG A 41 -4.431 0.377 7.442 1.00 0.00 C ATOM 598 O ARG A 41 -3.232 0.129 7.519 1.00 0.00 O ATOM 599 CB ARG A 41 -5.924 -1.233 6.220 1.00 0.00 C ATOM 600 CG ARG A 41 -5.023 -2.423 6.573 1.00 0.00 C ATOM 601 CD ARG A 41 -5.789 -3.727 6.310 1.00 0.00 C ATOM 602 NE ARG A 41 -5.218 -4.852 7.064 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.388 -5.042 8.380 1.00 0.00 C ATOM 604 NH1 ARG A 41 -6.233 -4.286 9.068 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.710 -5.986 9.025 1.00 0.00 N ATOM 0 H ARG A 41 -3.447 -0.584 5.228 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.913 0.881 5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.718 -1.155 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.403 -1.422 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.112 -2.395 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.721 -2.369 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.835 -3.597 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.767 -3.954 5.244 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.656 -5.532 6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.761 -3.552 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.355 -4.439 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.051 -6.577 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.849 -6.120 10.027 1.00 0.00 H new ATOM 619 N GLU A 42 -5.125 0.796 8.481 1.00 0.00 N ATOM 620 CA GLU A 42 -4.573 0.885 9.819 1.00 0.00 C ATOM 621 C GLU A 42 -4.639 -0.486 10.489 1.00 0.00 C ATOM 622 O GLU A 42 -5.302 -1.411 10.005 1.00 0.00 O ATOM 623 CB GLU A 42 -5.268 2.042 10.559 1.00 0.00 C ATOM 624 CG GLU A 42 -4.572 2.421 11.878 1.00 0.00 C ATOM 625 CD GLU A 42 -5.192 1.767 13.118 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.424 1.853 13.316 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.438 1.105 13.866 1.00 0.00 O ATOM 0 H GLU A 42 -6.100 1.088 8.420 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.512 1.136 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.299 2.915 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.301 1.763 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.521 2.138 11.817 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.604 3.504 11.996 1.00 0.00 H new ATOM 634 N SER A 43 -3.915 -0.610 11.599 1.00 0.00 N ATOM 635 CA SER A 43 -3.993 -1.694 12.554 1.00 0.00 C ATOM 636 C SER A 43 -5.368 -1.735 13.248 1.00 0.00 C ATOM 637 O SER A 43 -6.408 -1.518 12.627 1.00 0.00 O ATOM 638 CB SER A 43 -2.779 -1.591 13.495 1.00 0.00 C ATOM 639 OG SER A 43 -2.995 -0.755 14.598 1.00 0.00 O ATOM 0 H SER A 43 -3.220 0.088 11.864 1.00 0.00 H new ATOM 0 HA SER A 43 -3.932 -2.664 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.520 -2.588 13.851 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.923 -1.221 12.931 1.00 0.00 H new ATOM 0 HG SER A 43 -3.355 0.104 14.292 1.00 0.00 H new ATOM 645 N GLN A 44 -5.397 -2.171 14.505 1.00 0.00 N ATOM 646 CA GLN A 44 -6.600 -2.237 15.311 1.00 0.00 C ATOM 647 C GLN A 44 -6.772 -0.979 16.188 1.00 0.00 C ATOM 648 O GLN A 44 -7.720 -0.933 16.974 1.00 0.00 O ATOM 649 CB GLN A 44 -6.567 -3.522 16.161 1.00 0.00 C ATOM 650 CG GLN A 44 -6.566 -4.808 15.318 1.00 0.00 C ATOM 651 CD GLN A 44 -6.425 -6.054 16.187 1.00 0.00 C ATOM 652 OE1 GLN A 44 -5.440 -6.209 16.912 1.00 0.00 O ATOM 653 NE2 GLN A 44 -7.356 -6.991 16.120 1.00 0.00 N ATOM 0 H GLN A 44 -4.564 -2.494 14.997 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.467 -2.269 14.651 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.679 -3.509 16.793 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.431 -3.532 16.826 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.491 -4.867 14.744 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.747 -4.771 14.600 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.170 -6.859 15.519 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.260 -7.845 16.669 1.00 0.00 H new ATOM 662 N GLY A 45 -5.852 -0.007 16.133 1.00 0.00 N ATOM 663 CA GLY A 45 -5.833 1.176 16.996 1.00 0.00 C ATOM 664 C GLY A 45 -4.436 1.591 17.474 1.00 0.00 C ATOM 665 O GLY A 45 -4.312 2.453 18.351 1.00 0.00 O ATOM 0 H GLY A 45 -5.080 -0.025 15.467 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.282 2.011 16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.460 0.985 17.867 1.00 0.00 H new ATOM 669 N LYS A 46 -3.363 0.987 16.945 1.00 0.00 N ATOM 670 CA LYS A 46 -2.024 1.577 16.999 1.00 0.00 C ATOM 671 C LYS A 46 -2.040 2.829 16.110 1.00 0.00 C ATOM 672 O LYS A 46 -3.071 3.213 15.560 1.00 0.00 O ATOM 673 CB LYS A 46 -0.935 0.583 16.533 1.00 0.00 C ATOM 674 CG LYS A 46 -0.679 -0.682 17.366 1.00 0.00 C ATOM 675 CD LYS A 46 -1.853 -1.549 17.838 1.00 0.00 C ATOM 676 CE LYS A 46 -1.289 -2.705 18.673 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.061 -2.332 20.086 1.00 0.00 N ATOM 0 H LYS A 46 -3.400 0.084 16.472 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.776 1.836 18.028 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.189 0.266 15.522 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.005 1.131 16.468 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.018 -1.324 16.783 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.126 -0.377 18.254 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.549 -0.956 18.431 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.409 -1.934 16.983 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.979 -3.548 18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.349 -3.040 18.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.680 -3.150 20.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.382 -1.546 20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.961 -2.038 20.517 1.00 0.00 H new ATOM 691 N GLN A 47 -0.884 3.448 15.907 1.00 0.00 N ATOM 692 CA GLN A 47 -0.675 4.356 14.798 1.00 0.00 C ATOM 693 C GLN A 47 0.334 3.682 13.884 1.00 0.00 C ATOM 694 O GLN A 47 1.449 4.169 13.680 1.00 0.00 O ATOM 695 CB GLN A 47 -0.236 5.726 15.318 1.00 0.00 C ATOM 696 CG GLN A 47 -1.358 6.427 16.091 1.00 0.00 C ATOM 697 CD GLN A 47 -0.822 7.643 16.826 1.00 0.00 C ATOM 698 OE1 GLN A 47 -0.949 7.744 18.044 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.225 8.588 16.127 1.00 0.00 N ATOM 0 H GLN A 47 -0.069 3.332 16.509 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.584 4.553 14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.633 5.608 15.966 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.074 6.351 14.480 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.147 6.730 15.403 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.805 5.733 16.803 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.127 8.490 15.116 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.139 9.417 16.597 1.00 0.00 H new ATOM 708 N GLU A 48 -0.060 2.527 13.350 1.00 0.00 N ATOM 709 CA GLU A 48 0.730 1.765 12.421 1.00 0.00 C ATOM 710 C GLU A 48 -0.199 1.319 11.305 1.00 0.00 C ATOM 711 O GLU A 48 -1.317 0.866 11.563 1.00 0.00 O ATOM 712 CB GLU A 48 1.395 0.600 13.148 1.00 0.00 C ATOM 713 CG GLU A 48 2.156 -0.296 12.169 1.00 0.00 C ATOM 714 CD GLU A 48 3.578 -0.587 12.646 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.741 -1.267 13.684 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.536 -0.116 11.994 1.00 0.00 O ATOM 0 H GLU A 48 -0.960 2.097 13.565 1.00 0.00 H new ATOM 0 HA GLU A 48 1.539 2.353 11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.080 0.983 13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.639 0.014 13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.617 -1.235 12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.193 0.185 11.191 1.00 0.00 H new ATOM 723 N TYR A 49 0.256 1.495 10.069 1.00 0.00 N ATOM 724 CA TYR A 49 -0.461 1.033 8.898 1.00 0.00 C ATOM 725 C TYR A 49 0.030 -0.355 8.488 1.00 0.00 C ATOM 726 O TYR A 49 1.115 -0.811 8.855 1.00 0.00 O ATOM 727 CB TYR A 49 -0.318 2.050 7.756 1.00 0.00 C ATOM 728 CG TYR A 49 -0.973 3.396 7.995 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.334 3.454 8.333 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.241 4.592 7.851 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.945 4.687 8.615 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.856 5.838 8.078 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.212 5.887 8.477 1.00 0.00 C ATOM 734 OH TYR A 49 -2.804 7.071 8.786 1.00 0.00 O ATOM 0 H TYR A 49 1.136 1.964 9.856 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.521 0.948 9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.743 2.211 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.741 1.615 6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.915 2.545 8.377 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.800 4.552 7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.975 4.718 8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.295 6.752 7.948 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.714 7.087 8.422 1.00 0.00 H new ATOM 744 N VAL A 50 -0.776 -1.023 7.678 1.00 0.00 N ATOM 745 CA VAL A 50 -0.626 -2.378 7.205 1.00 0.00 C ATOM 746 C VAL A 50 -0.848 -2.330 5.701 1.00 0.00 C ATOM 747 O VAL A 50 -1.701 -1.593 5.199 1.00 0.00 O ATOM 748 CB VAL A 50 -1.662 -3.296 7.881 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.338 -4.779 7.624 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.779 -3.065 9.386 1.00 0.00 C ATOM 0 H VAL A 50 -1.621 -0.589 7.307 1.00 0.00 H new ATOM 0 HA VAL A 50 0.360 -2.778 7.442 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.620 -3.039 7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.085 -5.405 8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.347 -4.973 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.352 -5.011 8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.525 -3.743 9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.815 -3.253 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.081 -2.035 9.574 1.00 0.00 H new ATOM 760 N LEU A 51 -0.065 -3.128 4.993 1.00 0.00 N ATOM 761 CA LEU A 51 -0.121 -3.307 3.563 1.00 0.00 C ATOM 762 C LEU A 51 -0.796 -4.640 3.307 1.00 0.00 C ATOM 763 O LEU A 51 -0.267 -5.706 3.648 1.00 0.00 O ATOM 764 CB LEU A 51 1.299 -3.277 2.989 1.00 0.00 C ATOM 765 CG LEU A 51 1.353 -3.159 1.460 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.731 -1.856 0.934 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.831 -3.209 1.075 1.00 0.00 C ATOM 0 H LEU A 51 0.662 -3.695 5.429 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.685 -2.510 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.839 -2.438 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.821 -4.185 3.292 1.00 0.00 H new ATOM 0 HG LEU A 51 0.774 -3.970 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.800 -1.833 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.316 -1.807 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.267 -1.003 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.928 -3.129 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.359 -2.381 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.262 -4.153 1.409 1.00 0.00 H new ATOM 779 N SER A 52 -1.998 -4.568 2.757 1.00 0.00 N ATOM 780 CA SER A 52 -2.832 -5.715 2.488 1.00 0.00 C ATOM 781 C SER A 52 -2.988 -5.800 0.977 1.00 0.00 C ATOM 782 O SER A 52 -3.587 -4.921 0.365 1.00 0.00 O ATOM 783 CB SER A 52 -4.143 -5.555 3.251 1.00 0.00 C ATOM 784 OG SER A 52 -3.995 -5.940 4.611 1.00 0.00 O ATOM 0 H SER A 52 -2.426 -3.684 2.480 1.00 0.00 H new ATOM 0 HA SER A 52 -2.403 -6.657 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.474 -4.518 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.917 -6.161 2.781 1.00 0.00 H new ATOM 0 HG SER A 52 -4.609 -6.677 4.811 1.00 0.00 H new ATOM 790 N VAL A 53 -2.375 -6.822 0.381 1.00 0.00 N ATOM 791 CA VAL A 53 -2.166 -6.969 -1.058 1.00 0.00 C ATOM 792 C VAL A 53 -2.427 -8.423 -1.461 1.00 0.00 C ATOM 793 O VAL A 53 -2.113 -9.334 -0.691 1.00 0.00 O ATOM 794 CB VAL A 53 -0.752 -6.458 -1.398 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.342 -7.058 -0.504 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.358 -6.655 -2.872 1.00 0.00 C ATOM 0 H VAL A 53 -1.994 -7.605 0.912 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.866 -6.369 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.817 -5.388 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.312 -6.656 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.142 -6.802 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.349 -8.142 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.649 -6.271 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.386 -7.717 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.058 -6.117 -3.511 1.00 0.00 H new ATOM 806 N LEU A 54 -3.064 -8.647 -2.611 1.00 0.00 N ATOM 807 CA LEU A 54 -3.616 -9.938 -3.010 1.00 0.00 C ATOM 808 C LEU A 54 -2.552 -10.650 -3.829 1.00 0.00 C ATOM 809 O LEU A 54 -2.169 -10.128 -4.877 1.00 0.00 O ATOM 810 CB LEU A 54 -4.885 -9.685 -3.846 1.00 0.00 C ATOM 811 CG LEU A 54 -5.879 -10.856 -3.935 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.449 -11.189 -2.561 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.002 -10.534 -4.912 1.00 0.00 C ATOM 0 H LEU A 54 -3.213 -7.916 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.886 -10.554 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.406 -8.824 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.582 -9.414 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.340 -11.729 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.149 -12.020 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.638 -11.468 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.968 -10.318 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.694 -11.375 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.534 -9.645 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.582 -10.352 -5.901 1.00 0.00 H new ATOM 825 N TRP A 55 -2.057 -11.800 -3.368 1.00 0.00 N ATOM 826 CA TRP A 55 -1.040 -12.549 -4.090 1.00 0.00 C ATOM 827 C TRP A 55 -1.404 -14.026 -4.114 1.00 0.00 C ATOM 828 O TRP A 55 -1.451 -14.696 -3.081 1.00 0.00 O ATOM 829 CB TRP A 55 0.354 -12.280 -3.510 1.00 0.00 C ATOM 830 CG TRP A 55 1.457 -12.393 -4.521 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.453 -13.305 -4.512 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.689 -11.561 -5.701 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.296 -13.082 -5.582 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.868 -12.022 -6.359 1.00 0.00 C ATOM 835 CE3 TRP A 55 1.035 -10.445 -6.266 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.384 -11.384 -7.499 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.547 -9.796 -7.407 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.725 -10.257 -8.021 1.00 0.00 C ATOM 0 H TRP A 55 -2.350 -12.231 -2.491 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.005 -12.211 -5.126 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.371 -11.280 -3.076 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.543 -12.983 -2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.572 -14.089 -3.779 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.133 -13.632 -5.776 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.124 -10.081 -5.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.281 -11.757 -7.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.031 -8.938 -7.813 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.121 -9.749 -8.888 1.00 0.00 H new ATOM 849 N ASP A 56 -1.670 -14.513 -5.322 1.00 0.00 N ATOM 850 CA ASP A 56 -2.003 -15.891 -5.671 1.00 0.00 C ATOM 851 C ASP A 56 -3.161 -16.460 -4.856 1.00 0.00 C ATOM 852 O ASP A 56 -3.134 -17.599 -4.381 1.00 0.00 O ATOM 853 CB ASP A 56 -0.753 -16.771 -5.647 1.00 0.00 C ATOM 854 CG ASP A 56 -0.946 -17.971 -6.565 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.078 -17.738 -7.786 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.925 -19.140 -6.116 1.00 0.00 O ATOM 0 H ASP A 56 -1.658 -13.910 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.376 -15.885 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.115 -16.194 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.555 -17.109 -4.630 1.00 0.00 H new ATOM 861 N GLY A 57 -4.189 -15.638 -4.673 1.00 0.00 N ATOM 862 CA GLY A 57 -5.361 -16.022 -3.919 1.00 0.00 C ATOM 863 C GLY A 57 -5.099 -16.038 -2.421 1.00 0.00 C ATOM 864 O GLY A 57 -5.638 -16.912 -1.735 1.00 0.00 O ATOM 0 H GLY A 57 -4.226 -14.689 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.174 -15.330 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.690 -17.011 -4.239 1.00 0.00 H new ATOM 868 N LEU A 58 -4.283 -15.103 -1.916 1.00 0.00 N ATOM 869 CA LEU A 58 -4.111 -14.842 -0.497 1.00 0.00 C ATOM 870 C LEU A 58 -3.838 -13.345 -0.312 1.00 0.00 C ATOM 871 O LEU A 58 -2.756 -12.879 -0.675 1.00 0.00 O ATOM 872 CB LEU A 58 -2.952 -15.704 0.036 1.00 0.00 C ATOM 873 CG LEU A 58 -2.781 -15.805 1.563 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.158 -14.564 2.200 1.00 0.00 C ATOM 875 CD2 LEU A 58 -4.072 -16.135 2.318 1.00 0.00 C ATOM 0 H LEU A 58 -3.713 -14.496 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.007 -15.104 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.077 -16.714 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.024 -15.313 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.091 -16.642 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.071 -14.712 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.168 -14.395 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.790 -13.698 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.865 -16.188 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.812 -15.358 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.459 -17.095 1.975 1.00 0.00 H new ATOM 887 N PRO A 59 -4.758 -12.573 0.290 1.00 0.00 N ATOM 888 CA PRO A 59 -4.497 -11.206 0.722 1.00 0.00 C ATOM 889 C PRO A 59 -3.452 -11.217 1.846 1.00 0.00 C ATOM 890 O PRO A 59 -3.770 -11.430 3.026 1.00 0.00 O ATOM 891 CB PRO A 59 -5.849 -10.639 1.151 1.00 0.00 C ATOM 892 CG PRO A 59 -6.596 -11.881 1.612 1.00 0.00 C ATOM 893 CD PRO A 59 -6.074 -12.998 0.735 1.00 0.00 C ATOM 0 HA PRO A 59 -4.077 -10.577 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.746 -9.907 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.360 -10.141 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.409 -12.086 2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.673 -11.759 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.015 -13.935 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.736 -13.171 -0.113 1.00 0.00 H new ATOM 901 N ARG A 60 -2.183 -11.035 1.482 1.00 0.00 N ATOM 902 CA ARG A 60 -1.049 -10.982 2.392 1.00 0.00 C ATOM 903 C ARG A 60 -1.240 -9.829 3.371 1.00 0.00 C ATOM 904 O ARG A 60 -2.132 -8.986 3.221 1.00 0.00 O ATOM 905 CB ARG A 60 0.248 -10.796 1.578 1.00 0.00 C ATOM 906 CG ARG A 60 0.592 -11.919 0.603 1.00 0.00 C ATOM 907 CD ARG A 60 1.145 -13.133 1.334 1.00 0.00 C ATOM 908 NE ARG A 60 2.610 -13.190 1.440 1.00 0.00 N ATOM 909 CZ ARG A 60 3.298 -13.700 2.468 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.698 -13.995 3.613 1.00 0.00 N ATOM 911 NH2 ARG A 60 4.602 -13.902 2.372 1.00 0.00 N ATOM 0 H ARG A 60 -1.911 -10.916 0.506 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.978 -11.911 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.171 -9.865 1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.078 -10.680 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.299 -12.203 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.324 -11.563 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.724 -13.154 2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.799 -14.032 0.824 1.00 0.00 H new ATOM 0 HE ARG A 60 3.149 -12.808 0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.697 -13.834 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.238 -14.383 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.092 -13.668 1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.117 -14.291 3.162 1.00 0.00 H new ATOM 925 N HIS A 61 -0.411 -9.799 4.404 1.00 0.00 N ATOM 926 CA HIS A 61 -0.390 -8.745 5.401 1.00 0.00 C ATOM 927 C HIS A 61 1.073 -8.558 5.760 1.00 0.00 C ATOM 928 O HIS A 61 1.663 -9.401 6.446 1.00 0.00 O ATOM 929 CB HIS A 61 -1.289 -9.068 6.616 1.00 0.00 C ATOM 930 CG HIS A 61 -1.227 -10.493 7.118 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.622 -10.924 8.275 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.794 -11.585 6.521 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.806 -12.251 8.363 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.486 -12.711 7.295 1.00 0.00 N ATOM 0 H HIS A 61 0.283 -10.527 4.574 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.811 -7.816 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.015 -8.402 7.434 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.322 -8.840 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.377 -11.580 5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.456 -12.866 9.179 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.727 -13.681 7.092 1.00 0.00 H new ATOM 942 N PHE A 62 1.665 -7.493 5.232 1.00 0.00 N ATOM 943 CA PHE A 62 2.985 -7.017 5.599 1.00 0.00 C ATOM 944 C PHE A 62 2.720 -5.678 6.288 1.00 0.00 C ATOM 945 O PHE A 62 1.908 -4.897 5.799 1.00 0.00 O ATOM 946 CB PHE A 62 3.874 -6.894 4.343 1.00 0.00 C ATOM 947 CG PHE A 62 3.725 -8.004 3.305 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.292 -9.284 3.505 1.00 0.00 C ATOM 949 CD2 PHE A 62 3.007 -7.757 2.117 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.144 -10.286 2.533 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.915 -8.748 1.127 1.00 0.00 C ATOM 952 CZ PHE A 62 3.483 -10.008 1.336 1.00 0.00 C ATOM 0 H PHE A 62 1.221 -6.921 4.513 1.00 0.00 H new ATOM 0 HA PHE A 62 3.530 -7.690 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.657 -5.941 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.916 -6.859 4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.842 -9.492 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.526 -6.802 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.542 -11.274 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.403 -8.536 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.410 -10.767 0.571 1.00 0.00 H new ATOM 962 N ILE A 63 3.314 -5.418 7.449 1.00 0.00 N ATOM 963 CA ILE A 63 3.165 -4.115 8.097 1.00 0.00 C ATOM 964 C ILE A 63 3.871 -3.080 7.219 1.00 0.00 C ATOM 965 O ILE A 63 4.893 -3.397 6.594 1.00 0.00 O ATOM 966 CB ILE A 63 3.689 -4.213 9.546 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.569 -4.852 10.392 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.191 -2.899 10.159 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.447 -3.883 10.802 1.00 0.00 C ATOM 0 H ILE A 63 3.897 -6.083 7.957 1.00 0.00 H new ATOM 0 HA ILE A 63 2.127 -3.796 8.187 1.00 0.00 H new ATOM 0 HB ILE A 63 4.588 -4.829 9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.132 -5.677 9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.010 -5.279 11.293 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.536 -3.081 11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.015 -2.510 9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.379 -2.172 10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.703 -4.417 11.394 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.867 -3.070 11.395 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.975 -3.474 9.909 1.00 0.00 H new ATOM 981 N ILE A 64 3.314 -1.868 7.134 1.00 0.00 N ATOM 982 CA ILE A 64 3.940 -0.779 6.403 1.00 0.00 C ATOM 983 C ILE A 64 5.311 -0.526 7.022 1.00 0.00 C ATOM 984 O ILE A 64 5.471 -0.506 8.246 1.00 0.00 O ATOM 985 CB ILE A 64 3.029 0.471 6.400 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.768 0.209 5.549 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.720 1.734 5.876 1.00 0.00 C ATOM 988 CD1 ILE A 64 1.979 0.178 4.037 1.00 0.00 C ATOM 0 H ILE A 64 2.424 -1.622 7.568 1.00 0.00 H new ATOM 0 HA ILE A 64 4.080 -1.039 5.354 1.00 0.00 H new ATOM 0 HB ILE A 64 2.768 0.651 7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.338 -0.744 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.032 0.980 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.020 2.569 5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.583 1.963 6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.049 1.570 4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.028 -0.013 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.375 1.138 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.685 -0.613 3.784 1.00 0.00 H new ATOM 1000 N GLN A 65 6.292 -0.311 6.149 1.00 0.00 N ATOM 1001 CA GLN A 65 7.671 0.025 6.487 1.00 0.00 C ATOM 1002 C GLN A 65 7.694 1.191 7.463 1.00 0.00 C ATOM 1003 O GLN A 65 6.763 1.985 7.436 1.00 0.00 O ATOM 1004 CB GLN A 65 8.434 0.469 5.232 1.00 0.00 C ATOM 1005 CG GLN A 65 8.042 -0.266 3.935 1.00 0.00 C ATOM 1006 CD GLN A 65 6.979 0.395 3.052 1.00 0.00 C ATOM 1007 OE1 GLN A 65 6.776 -0.009 1.913 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.300 1.430 3.505 1.00 0.00 N ATOM 0 H GLN A 65 6.140 -0.369 5.142 1.00 0.00 H new ATOM 0 HA GLN A 65 8.135 -0.860 6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.275 1.538 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.501 0.326 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.943 -0.400 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.687 -1.261 4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.463 1.772 4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.611 1.889 2.909 1.00 0.00 H new ATOM 1017 N SER A 66 8.761 1.385 8.230 1.00 0.00 N ATOM 1018 CA SER A 66 8.902 2.541 9.096 1.00 0.00 C ATOM 1019 C SER A 66 10.313 2.494 9.671 1.00 0.00 C ATOM 1020 O SER A 66 10.706 1.478 10.243 1.00 0.00 O ATOM 1021 CB SER A 66 7.852 2.455 10.211 1.00 0.00 C ATOM 1022 OG SER A 66 7.768 3.652 10.954 1.00 0.00 O ATOM 0 H SER A 66 9.552 0.742 8.266 1.00 0.00 H new ATOM 0 HA SER A 66 8.749 3.477 8.559 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.879 2.230 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.100 1.630 10.879 1.00 0.00 H new ATOM 0 HG SER A 66 7.087 3.556 11.652 1.00 0.00 H new ATOM 1028 N LEU A 67 11.065 3.581 9.524 1.00 0.00 N ATOM 1029 CA LEU A 67 12.333 3.834 10.196 1.00 0.00 C ATOM 1030 C LEU A 67 12.261 5.226 10.822 1.00 0.00 C ATOM 1031 O LEU A 67 11.181 5.606 11.274 1.00 0.00 O ATOM 1032 CB LEU A 67 13.533 3.581 9.266 1.00 0.00 C ATOM 1033 CG LEU A 67 13.543 4.390 7.955 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.988 4.748 7.590 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.927 3.562 6.826 1.00 0.00 C ATOM 0 H LEU A 67 10.793 4.344 8.904 1.00 0.00 H new ATOM 0 HA LEU A 67 12.503 3.126 11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.448 3.802 9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.559 2.520 9.017 1.00 0.00 H new ATOM 0 HG LEU A 67 12.960 5.301 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.998 5.321 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.428 5.344 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.567 3.834 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.938 4.141 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.505 2.648 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.899 3.306 7.082 1.00 0.00 H new ATOM 1047 N ASP A 68 13.359 5.984 10.877 1.00 0.00 N ATOM 1048 CA ASP A 68 13.490 7.215 11.666 1.00 0.00 C ATOM 1049 C ASP A 68 12.377 8.205 11.334 1.00 0.00 C ATOM 1050 O ASP A 68 11.659 8.663 12.218 1.00 0.00 O ATOM 1051 CB ASP A 68 14.849 7.883 11.401 1.00 0.00 C ATOM 1052 CG ASP A 68 15.975 7.459 12.340 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.728 6.953 13.455 1.00 0.00 O ATOM 1054 OD2 ASP A 68 17.139 7.640 11.914 1.00 0.00 O ATOM 0 H ASP A 68 14.207 5.753 10.359 1.00 0.00 H new ATOM 0 HA ASP A 68 13.416 6.938 12.717 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.150 7.664 10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.725 8.964 11.473 1.00 0.00 H new ATOM 1059 N ASN A 69 12.212 8.523 10.049 1.00 0.00 N ATOM 1060 CA ASN A 69 11.157 9.396 9.542 1.00 0.00 C ATOM 1061 C ASN A 69 10.712 8.977 8.130 1.00 0.00 C ATOM 1062 O ASN A 69 10.072 9.748 7.416 1.00 0.00 O ATOM 1063 CB ASN A 69 11.650 10.857 9.577 1.00 0.00 C ATOM 1064 CG ASN A 69 10.520 11.842 9.336 1.00 0.00 C ATOM 1065 OD1 ASN A 69 10.530 12.591 8.362 1.00 0.00 O ATOM 1066 ND2 ASN A 69 9.535 11.874 10.215 1.00 0.00 N ATOM 0 H ASN A 69 12.826 8.170 9.315 1.00 0.00 H new ATOM 0 HA ASN A 69 10.279 9.306 10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.110 11.062 10.544 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.422 10.998 8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.763 12.529 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.546 11.243 11.017 1.00 0.00 H new ATOM 1073 N LEU A 70 11.142 7.798 7.668 1.00 0.00 N ATOM 1074 CA LEU A 70 10.963 7.326 6.300 1.00 0.00 C ATOM 1075 C LEU A 70 10.324 5.942 6.336 1.00 0.00 C ATOM 1076 O LEU A 70 10.163 5.337 7.399 1.00 0.00 O ATOM 1077 CB LEU A 70 12.297 7.264 5.512 1.00 0.00 C ATOM 1078 CG LEU A 70 13.249 8.468 5.653 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.680 7.989 5.915 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.168 9.388 4.433 1.00 0.00 C ATOM 0 H LEU A 70 11.638 7.129 8.257 1.00 0.00 H new ATOM 0 HA LEU A 70 10.320 8.038 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.834 6.369 5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.061 7.141 4.455 1.00 0.00 H new ATOM 0 HG LEU A 70 12.933 9.058 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.340 8.851 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.706 7.406 6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.014 7.368 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.851 10.227 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.445 8.831 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.150 9.762 4.327 1.00 0.00 H new ATOM 1092 N TYR A 71 10.042 5.426 5.149 1.00 0.00 N ATOM 1093 CA TYR A 71 9.419 4.149 4.862 1.00 0.00 C ATOM 1094 C TYR A 71 10.293 3.524 3.764 1.00 0.00 C ATOM 1095 O TYR A 71 10.567 4.234 2.798 1.00 0.00 O ATOM 1096 CB TYR A 71 7.998 4.449 4.342 1.00 0.00 C ATOM 1097 CG TYR A 71 7.211 5.460 5.160 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.544 5.054 6.322 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.191 6.815 4.798 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.877 5.969 7.145 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.541 7.754 5.620 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.883 7.339 6.801 1.00 0.00 C ATOM 1103 OH TYR A 71 5.261 8.265 7.586 1.00 0.00 O ATOM 0 H TYR A 71 10.263 5.935 4.293 1.00 0.00 H new ATOM 0 HA TYR A 71 9.341 3.479 5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.072 4.813 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.436 3.516 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.544 4.008 6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.675 7.138 3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.364 5.631 8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.545 8.799 5.347 1.00 0.00 H new ATOM 0 HH TYR A 71 5.371 9.155 7.192 1.00 0.00 H new ATOM 1113 N ARG A 72 10.775 2.276 3.891 1.00 0.00 N ATOM 1114 CA ARG A 72 11.626 1.588 2.900 1.00 0.00 C ATOM 1115 C ARG A 72 11.367 0.088 2.929 1.00 0.00 C ATOM 1116 O ARG A 72 11.240 -0.439 4.031 1.00 0.00 O ATOM 1117 CB ARG A 72 13.109 1.833 3.214 1.00 0.00 C ATOM 1118 CG ARG A 72 13.652 1.227 4.518 1.00 0.00 C ATOM 1119 CD ARG A 72 14.229 -0.193 4.401 1.00 0.00 C ATOM 1120 NE ARG A 72 15.569 -0.275 5.006 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.126 -1.345 5.584 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.434 -2.454 5.805 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.405 -1.323 5.941 1.00 0.00 N ATOM 0 H ARG A 72 10.579 1.700 4.709 1.00 0.00 H new ATOM 0 HA ARG A 72 11.384 1.984 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.700 1.442 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.276 2.910 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.429 1.885 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.848 1.214 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.562 -0.901 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.283 -0.481 3.351 1.00 0.00 H new ATOM 0 HE ARG A 72 16.133 0.575 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.452 -2.505 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.883 -3.256 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.967 -0.488 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.826 -2.141 6.381 1.00 0.00 H new ATOM 1137 N LEU A 73 11.275 -0.607 1.791 1.00 0.00 N ATOM 1138 CA LEU A 73 10.851 -2.014 1.793 1.00 0.00 C ATOM 1139 C LEU A 73 11.879 -2.953 1.203 1.00 0.00 C ATOM 1140 O LEU A 73 12.005 -4.080 1.688 1.00 0.00 O ATOM 1141 CB LEU A 73 9.508 -2.183 1.076 1.00 0.00 C ATOM 1142 CG LEU A 73 8.824 -3.531 1.303 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.794 -4.072 2.742 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.404 -3.383 0.812 1.00 0.00 C ATOM 0 H LEU A 73 11.485 -0.227 0.868 1.00 0.00 H new ATOM 0 HA LEU A 73 10.739 -2.290 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.835 -1.391 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.664 -2.046 0.006 1.00 0.00 H new ATOM 0 HG LEU A 73 9.423 -4.265 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.280 -5.033 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.814 -4.200 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.267 -3.367 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.871 -4.323 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.905 -2.595 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.410 -3.124 -0.247 1.00 0.00 H new ATOM 1156 N GLU A 74 12.619 -2.511 0.188 1.00 0.00 N ATOM 1157 CA GLU A 74 13.668 -3.326 -0.409 1.00 0.00 C ATOM 1158 C GLU A 74 15.001 -2.575 -0.371 1.00 0.00 C ATOM 1159 O GLU A 74 16.024 -3.139 0.030 1.00 0.00 O ATOM 1160 CB GLU A 74 13.308 -3.734 -1.841 1.00 0.00 C ATOM 1161 CG GLU A 74 14.299 -4.762 -2.414 1.00 0.00 C ATOM 1162 CD GLU A 74 14.143 -5.001 -3.916 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.095 -4.663 -4.510 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.121 -5.481 -4.531 1.00 0.00 O ATOM 0 H GLU A 74 12.509 -1.590 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 74 13.766 -4.241 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.302 -4.153 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.295 -2.849 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.315 -4.423 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.169 -5.709 -1.890 1.00 0.00 H new ATOM 1171 N GLY A 75 14.987 -1.307 -0.787 1.00 0.00 N ATOM 1172 CA GLY A 75 16.149 -0.461 -1.001 1.00 0.00 C ATOM 1173 C GLY A 75 16.021 0.819 -0.185 1.00 0.00 C ATOM 1174 O GLY A 75 15.877 0.755 1.039 1.00 0.00 O ATOM 0 H GLY A 75 14.114 -0.822 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.055 -0.995 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.243 -0.219 -2.060 1.00 0.00 H new ATOM 1178 N GLU A 76 16.127 1.970 -0.843 1.00 0.00 N ATOM 1179 CA GLU A 76 16.028 3.296 -0.236 1.00 0.00 C ATOM 1180 C GLU A 76 14.619 3.591 0.295 1.00 0.00 C ATOM 1181 O GLU A 76 13.658 2.863 0.018 1.00 0.00 O ATOM 1182 CB GLU A 76 16.508 4.364 -1.231 1.00 0.00 C ATOM 1183 CG GLU A 76 15.732 4.403 -2.553 1.00 0.00 C ATOM 1184 CD GLU A 76 16.549 5.072 -3.659 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.651 4.573 -4.005 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.069 6.065 -4.249 1.00 0.00 O ATOM 0 H GLU A 76 16.290 2.007 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 76 16.682 3.320 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.438 5.342 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.562 4.191 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.471 3.388 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.796 4.944 -2.412 1.00 0.00 H new ATOM 1193 N GLY A 77 14.524 4.661 1.087 1.00 0.00 N ATOM 1194 CA GLY A 77 13.338 5.075 1.817 1.00 0.00 C ATOM 1195 C GLY A 77 12.858 6.449 1.389 1.00 0.00 C ATOM 1196 O GLY A 77 13.658 7.239 0.879 1.00 0.00 O ATOM 0 H GLY A 77 15.314 5.288 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.542 4.347 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.554 5.083 2.885 1.00 0.00 H new ATOM 1200 N PHE A 78 11.583 6.753 1.634 1.00 0.00 N ATOM 1201 CA PHE A 78 10.958 8.011 1.243 1.00 0.00 C ATOM 1202 C PHE A 78 10.265 8.647 2.438 1.00 0.00 C ATOM 1203 O PHE A 78 9.898 7.926 3.363 1.00 0.00 O ATOM 1204 CB PHE A 78 9.963 7.780 0.097 1.00 0.00 C ATOM 1205 CG PHE A 78 10.636 7.769 -1.254 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.350 6.635 -1.669 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.621 8.924 -2.057 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.040 6.641 -2.888 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.309 8.932 -3.278 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.021 7.793 -3.684 1.00 0.00 C ATOM 0 H PHE A 78 10.947 6.119 2.118 1.00 0.00 H new ATOM 0 HA PHE A 78 11.732 8.693 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.448 6.832 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.203 8.562 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.368 5.753 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.081 9.802 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.582 5.765 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.291 9.812 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.560 7.805 -4.620 1.00 0.00 H new ATOM 1220 N PRO A 79 10.024 9.969 2.408 1.00 0.00 N ATOM 1221 CA PRO A 79 9.359 10.716 3.470 1.00 0.00 C ATOM 1222 C PRO A 79 7.839 10.547 3.460 1.00 0.00 C ATOM 1223 O PRO A 79 7.136 11.190 4.241 1.00 0.00 O ATOM 1224 CB PRO A 79 9.718 12.171 3.180 1.00 0.00 C ATOM 1225 CG PRO A 79 9.729 12.198 1.658 1.00 0.00 C ATOM 1226 CD PRO A 79 10.430 10.884 1.350 1.00 0.00 C ATOM 0 HA PRO A 79 9.680 10.365 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.985 12.862 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.686 12.444 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.724 12.237 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.272 13.057 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.140 10.505 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.512 11.011 1.335 1.00 0.00 H new ATOM 1234 N SER A 80 7.271 9.758 2.551 1.00 0.00 N ATOM 1235 CA SER A 80 5.850 9.458 2.561 1.00 0.00 C ATOM 1236 C SER A 80 5.648 8.031 2.077 1.00 0.00 C ATOM 1237 O SER A 80 6.470 7.505 1.325 1.00 0.00 O ATOM 1238 CB SER A 80 5.098 10.494 1.726 1.00 0.00 C ATOM 1239 OG SER A 80 5.556 11.804 2.001 1.00 0.00 O ATOM 0 H SER A 80 7.785 9.312 1.791 1.00 0.00 H new ATOM 0 HA SER A 80 5.441 9.521 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.229 10.275 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.030 10.428 1.935 1.00 0.00 H new ATOM 0 HG SER A 80 5.059 12.446 1.452 1.00 0.00 H new ATOM 1245 N ILE A 81 4.564 7.410 2.533 1.00 0.00 N ATOM 1246 CA ILE A 81 4.091 6.132 2.029 1.00 0.00 C ATOM 1247 C ILE A 81 3.751 6.315 0.545 1.00 0.00 C ATOM 1248 O ILE A 81 4.253 5.534 -0.266 1.00 0.00 O ATOM 1249 CB ILE A 81 2.918 5.612 2.906 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.474 5.259 4.307 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.194 4.391 2.306 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.411 5.150 5.402 1.00 0.00 C ATOM 0 H ILE A 81 3.981 7.792 3.278 1.00 0.00 H new ATOM 0 HA ILE A 81 4.852 5.355 2.095 1.00 0.00 H new ATOM 0 HB ILE A 81 2.173 6.405 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.010 4.312 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.200 6.018 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.388 4.083 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.780 4.655 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.901 3.570 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.889 4.900 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.889 6.102 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.696 4.370 5.139 1.00 0.00 H new ATOM 1264 N PRO A 82 2.963 7.341 0.143 1.00 0.00 N ATOM 1265 CA PRO A 82 2.545 7.471 -1.245 1.00 0.00 C ATOM 1266 C PRO A 82 3.729 7.692 -2.186 1.00 0.00 C ATOM 1267 O PRO A 82 3.722 7.213 -3.319 1.00 0.00 O ATOM 1268 CB PRO A 82 1.521 8.619 -1.279 1.00 0.00 C ATOM 1269 CG PRO A 82 1.766 9.409 0.000 1.00 0.00 C ATOM 1270 CD PRO A 82 2.298 8.357 0.953 1.00 0.00 C ATOM 0 HA PRO A 82 2.089 6.550 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.659 9.244 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.501 8.236 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.484 10.214 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.850 9.866 0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.995 8.799 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.487 7.917 1.533 1.00 0.00 H new ATOM 1278 N LEU A 83 4.772 8.365 -1.697 1.00 0.00 N ATOM 1279 CA LEU A 83 5.955 8.691 -2.475 1.00 0.00 C ATOM 1280 C LEU A 83 6.751 7.434 -2.842 1.00 0.00 C ATOM 1281 O LEU A 83 7.449 7.437 -3.857 1.00 0.00 O ATOM 1282 CB LEU A 83 6.793 9.737 -1.712 1.00 0.00 C ATOM 1283 CG LEU A 83 6.363 11.199 -1.981 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.956 11.617 -1.550 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.349 12.165 -1.327 1.00 0.00 C ATOM 0 H LEU A 83 4.813 8.701 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 83 5.656 9.132 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.720 9.538 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.841 9.620 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 83 6.359 11.247 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.795 12.665 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.219 11.003 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.850 11.481 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.037 13.191 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.370 11.991 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.345 12.004 -1.740 1.00 0.00 H new ATOM 1297 N LEU A 84 6.620 6.356 -2.063 1.00 0.00 N ATOM 1298 CA LEU A 84 7.242 5.066 -2.340 1.00 0.00 C ATOM 1299 C LEU A 84 6.319 4.131 -3.101 1.00 0.00 C ATOM 1300 O LEU A 84 6.810 3.272 -3.832 1.00 0.00 O ATOM 1301 CB LEU A 84 7.577 4.388 -1.014 1.00 0.00 C ATOM 1302 CG LEU A 84 8.442 3.113 -1.112 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.679 3.216 -2.013 1.00 0.00 C ATOM 1304 CD2 LEU A 84 8.883 2.692 0.292 1.00 0.00 C ATOM 0 H LEU A 84 6.067 6.360 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 84 8.128 5.257 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.095 5.108 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.644 4.134 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 84 7.800 2.370 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.213 2.265 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.369 3.453 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.336 4.002 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.494 1.792 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.465 3.494 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.004 2.490 0.904 1.00 0.00 H new ATOM 1316 N ILE A 85 4.997 4.255 -2.939 1.00 0.00 N ATOM 1317 CA ILE A 85 4.075 3.484 -3.751 1.00 0.00 C ATOM 1318 C ILE A 85 4.402 3.716 -5.218 1.00 0.00 C ATOM 1319 O ILE A 85 4.507 2.730 -5.937 1.00 0.00 O ATOM 1320 CB ILE A 85 2.607 3.805 -3.401 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.204 3.306 -1.999 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.660 3.207 -4.448 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.306 1.798 -1.786 1.00 0.00 C ATOM 0 H ILE A 85 4.555 4.875 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 85 4.195 2.422 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 85 2.522 4.892 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.833 3.803 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.177 3.615 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.629 3.444 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.889 3.626 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.787 2.125 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.000 1.553 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.655 1.286 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.336 1.477 -1.943 1.00 0.00 H new ATOM 1335 N ASP A 86 4.579 4.961 -5.675 1.00 0.00 N ATOM 1336 CA ASP A 86 4.726 5.158 -7.119 1.00 0.00 C ATOM 1337 C ASP A 86 6.034 4.563 -7.622 1.00 0.00 C ATOM 1338 O ASP A 86 6.056 3.950 -8.682 1.00 0.00 O ATOM 1339 CB ASP A 86 4.610 6.621 -7.543 1.00 0.00 C ATOM 1340 CG ASP A 86 4.084 6.724 -8.985 1.00 0.00 C ATOM 1341 OD1 ASP A 86 2.940 6.260 -9.216 1.00 0.00 O ATOM 1342 OD2 ASP A 86 4.759 7.312 -9.858 1.00 0.00 O ATOM 0 H ASP A 86 4.622 5.804 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 86 3.892 4.630 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.939 7.150 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.584 7.105 -7.469 1.00 0.00 H new ATOM 1347 N HIS A 87 7.116 4.683 -6.848 1.00 0.00 N ATOM 1348 CA HIS A 87 8.405 4.133 -7.253 1.00 0.00 C ATOM 1349 C HIS A 87 8.436 2.612 -7.148 1.00 0.00 C ATOM 1350 O HIS A 87 9.368 2.014 -7.673 1.00 0.00 O ATOM 1351 CB HIS A 87 9.578 4.746 -6.475 1.00 0.00 C ATOM 1352 CG HIS A 87 9.950 6.154 -6.872 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.197 6.725 -6.725 1.00 0.00 N ATOM 1354 CD2 HIS A 87 9.160 7.059 -7.530 1.00 0.00 C ATOM 1355 CE1 HIS A 87 11.145 7.956 -7.256 1.00 0.00 C ATOM 1356 NE2 HIS A 87 9.916 8.221 -7.735 1.00 0.00 N ATOM 0 H HIS A 87 7.122 5.154 -5.943 1.00 0.00 H new ATOM 0 HA HIS A 87 8.527 4.405 -8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.332 4.739 -5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.452 4.107 -6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.136 6.904 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.978 8.642 -7.294 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.599 9.092 -8.161 1.00 0.00 H new ATOM 1364 N LEU A 88 7.437 1.946 -6.562 1.00 0.00 N ATOM 1365 CA LEU A 88 7.277 0.504 -6.695 1.00 0.00 C ATOM 1366 C LEU A 88 6.230 0.114 -7.727 1.00 0.00 C ATOM 1367 O LEU A 88 6.350 -0.940 -8.347 1.00 0.00 O ATOM 1368 CB LEU A 88 6.844 -0.031 -5.346 1.00 0.00 C ATOM 1369 CG LEU A 88 7.974 -0.097 -4.311 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.910 -1.505 -3.731 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.427 0.190 -4.702 1.00 0.00 C ATOM 0 H LEU A 88 6.723 2.392 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 88 8.227 0.086 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.044 0.599 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.428 -1.030 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 88 7.769 0.742 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.692 -1.625 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.936 -1.664 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.056 -2.234 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.066 0.090 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.745 -0.519 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.505 1.204 -5.094 1.00 0.00 H new ATOM 1383 N LEU A 89 5.175 0.906 -7.882 1.00 0.00 N ATOM 1384 CA LEU A 89 4.057 0.589 -8.757 1.00 0.00 C ATOM 1385 C LEU A 89 4.501 0.830 -10.193 1.00 0.00 C ATOM 1386 O LEU A 89 4.330 -0.025 -11.048 1.00 0.00 O ATOM 1387 CB LEU A 89 2.826 1.438 -8.381 1.00 0.00 C ATOM 1388 CG LEU A 89 1.556 0.925 -9.087 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.836 -0.204 -8.388 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.520 2.035 -9.259 1.00 0.00 C ATOM 0 H LEU A 89 5.073 1.797 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 89 3.762 -0.455 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.680 1.412 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.002 2.478 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 89 1.944 0.558 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.042 -0.489 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.504 -1.060 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.526 0.122 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.361 1.635 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.236 2.423 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.945 2.840 -9.859 1.00 0.00 H new ATOM 1402 N SER A 90 5.111 1.981 -10.446 1.00 0.00 N ATOM 1403 CA SER A 90 5.492 2.420 -11.775 1.00 0.00 C ATOM 1404 C SER A 90 6.682 1.603 -12.278 1.00 0.00 C ATOM 1405 O SER A 90 6.963 1.595 -13.474 1.00 0.00 O ATOM 1406 CB SER A 90 5.814 3.924 -11.736 1.00 0.00 C ATOM 1407 OG SER A 90 5.501 4.545 -12.966 1.00 0.00 O ATOM 0 H SER A 90 5.358 2.647 -9.714 1.00 0.00 H new ATOM 0 HA SER A 90 4.668 2.260 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.251 4.399 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.871 4.067 -11.512 1.00 0.00 H new ATOM 0 HG SER A 90 5.714 5.500 -12.914 1.00 0.00 H new ATOM 1413 N THR A 91 7.383 0.915 -11.378 1.00 0.00 N ATOM 1414 CA THR A 91 8.608 0.188 -11.681 1.00 0.00 C ATOM 1415 C THR A 91 8.319 -1.302 -11.686 1.00 0.00 C ATOM 1416 O THR A 91 8.990 -2.034 -12.408 1.00 0.00 O ATOM 1417 CB THR A 91 9.698 0.541 -10.663 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.318 0.100 -9.377 1.00 0.00 O ATOM 1419 CG2 THR A 91 9.944 2.051 -10.593 1.00 0.00 C ATOM 0 H THR A 91 7.107 0.848 -10.398 1.00 0.00 H new ATOM 0 HA THR A 91 8.972 0.474 -12.668 1.00 0.00 H new ATOM 0 HB THR A 91 10.613 0.046 -10.989 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.364 0.850 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.723 2.259 -9.860 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.259 2.414 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.024 2.556 -10.298 1.00 0.00 H new ATOM 1427 N GLN A 92 7.260 -1.708 -10.970 1.00 0.00 N ATOM 1428 CA GLN A 92 6.873 -3.089 -10.751 1.00 0.00 C ATOM 1429 C GLN A 92 7.972 -3.732 -9.915 1.00 0.00 C ATOM 1430 O GLN A 92 8.688 -4.606 -10.407 1.00 0.00 O ATOM 1431 CB GLN A 92 6.589 -3.853 -12.070 1.00 0.00 C ATOM 1432 CG GLN A 92 5.642 -3.174 -13.067 1.00 0.00 C ATOM 1433 CD GLN A 92 4.184 -3.284 -12.654 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.827 -2.637 -11.568 1.00 0.00 O flip ATOM 1435 NE2 GLN A 92 3.379 -3.936 -13.319 1.00 0.00 N flip ATOM 0 H GLN A 92 6.631 -1.047 -10.514 1.00 0.00 H new ATOM 0 HA GLN A 92 5.924 -3.133 -10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.540 -4.032 -12.571 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.174 -4.828 -11.816 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.911 -2.122 -13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.772 -3.624 -14.051 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.689 -4.427 -14.158 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.402 -3.985 -13.032 1.00 0.00 H new ATOM 1444 N GLN A 93 8.080 -3.332 -8.641 1.00 0.00 N ATOM 1445 CA GLN A 93 9.086 -3.891 -7.748 1.00 0.00 C ATOM 1446 C GLN A 93 8.549 -4.643 -6.529 1.00 0.00 C ATOM 1447 O GLN A 93 7.484 -4.307 -6.001 1.00 0.00 O ATOM 1448 CB GLN A 93 10.095 -2.816 -7.331 1.00 0.00 C ATOM 1449 CG GLN A 93 11.249 -2.746 -8.324 1.00 0.00 C ATOM 1450 CD GLN A 93 12.300 -1.731 -7.924 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.399 -2.088 -7.491 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.990 -0.461 -8.075 1.00 0.00 N ATOM 0 H GLN A 93 7.482 -2.625 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 93 9.583 -4.661 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.599 -1.847 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.479 -3.037 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.712 -3.729 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.860 -2.492 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.072 -0.199 -8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.667 0.262 -7.831 1.00 0.00 H new ATOM 1461 N PRO A 94 9.297 -5.681 -6.102 1.00 0.00 N ATOM 1462 CA PRO A 94 8.843 -6.660 -5.135 1.00 0.00 C ATOM 1463 C PRO A 94 8.905 -6.178 -3.681 1.00 0.00 C ATOM 1464 O PRO A 94 9.833 -5.482 -3.259 1.00 0.00 O ATOM 1465 CB PRO A 94 9.739 -7.889 -5.320 1.00 0.00 C ATOM 1466 CG PRO A 94 11.052 -7.261 -5.803 1.00 0.00 C ATOM 1467 CD PRO A 94 10.550 -6.129 -6.696 1.00 0.00 C ATOM 0 HA PRO A 94 7.789 -6.871 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.870 -8.442 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.328 -8.586 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.656 -6.891 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.667 -7.973 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.274 -5.316 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.396 -6.476 -7.718 1.00 0.00 H new ATOM 1475 N LEU A 95 7.969 -6.682 -2.876 1.00 0.00 N ATOM 1476 CA LEU A 95 7.754 -6.282 -1.490 1.00 0.00 C ATOM 1477 C LEU A 95 8.546 -7.105 -0.477 1.00 0.00 C ATOM 1478 O LEU A 95 8.948 -6.579 0.556 1.00 0.00 O ATOM 1479 CB LEU A 95 6.259 -6.395 -1.157 1.00 0.00 C ATOM 1480 CG LEU A 95 5.320 -5.563 -2.047 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.901 -5.726 -1.508 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.694 -4.082 -2.105 1.00 0.00 C ATOM 0 H LEU A 95 7.319 -7.405 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 95 8.110 -5.255 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.966 -7.443 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.111 -6.093 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 95 5.405 -5.931 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.210 -5.146 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.618 -6.778 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.860 -5.370 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.991 -3.554 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.656 -3.657 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.702 -3.977 -2.505 1.00 0.00 H new ATOM 1494 N THR A 96 8.763 -8.402 -0.692 1.00 0.00 N ATOM 1495 CA THR A 96 9.582 -9.191 0.218 1.00 0.00 C ATOM 1496 C THR A 96 10.043 -10.433 -0.524 1.00 0.00 C ATOM 1497 O THR A 96 9.263 -11.003 -1.294 1.00 0.00 O ATOM 1498 CB THR A 96 8.788 -9.516 1.509 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.454 -10.500 2.261 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.376 -10.058 1.267 1.00 0.00 C ATOM 0 H THR A 96 8.385 -8.923 -1.483 1.00 0.00 H new ATOM 0 HA THR A 96 10.463 -8.636 0.539 1.00 0.00 H new ATOM 0 HB THR A 96 8.715 -8.559 2.026 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.032 -10.579 3.142 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.894 -10.258 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.793 -9.321 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.434 -10.981 0.691 1.00 0.00 H new ATOM 1508 N LYS A 97 11.258 -10.916 -0.236 1.00 0.00 N ATOM 1509 CA LYS A 97 11.728 -12.204 -0.750 1.00 0.00 C ATOM 1510 C LYS A 97 10.785 -13.327 -0.306 1.00 0.00 C ATOM 1511 O LYS A 97 10.649 -14.328 -1.001 1.00 0.00 O ATOM 1512 CB LYS A 97 13.182 -12.495 -0.313 1.00 0.00 C ATOM 1513 CG LYS A 97 14.192 -11.364 -0.596 1.00 0.00 C ATOM 1514 CD LYS A 97 14.373 -10.987 -2.077 1.00 0.00 C ATOM 1515 CE LYS A 97 15.622 -11.563 -2.752 1.00 0.00 C ATOM 1516 NZ LYS A 97 16.871 -10.867 -2.378 1.00 0.00 N ATOM 0 H LYS A 97 11.934 -10.430 0.353 1.00 0.00 H new ATOM 0 HA LYS A 97 11.723 -12.155 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.188 -12.706 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.522 -13.399 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.877 -10.475 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.161 -11.658 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.495 -11.321 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.406 -9.900 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.712 -12.618 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.497 -11.511 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.675 -11.307 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.805 -9.865 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.013 -10.938 -1.350 1.00 0.00 H new ATOM 1530 N LYS A 98 10.062 -13.169 0.808 1.00 0.00 N ATOM 1531 CA LYS A 98 9.064 -14.130 1.277 1.00 0.00 C ATOM 1532 C LYS A 98 7.807 -14.239 0.419 1.00 0.00 C ATOM 1533 O LYS A 98 6.967 -15.077 0.745 1.00 0.00 O ATOM 1534 CB LYS A 98 8.703 -13.816 2.741 1.00 0.00 C ATOM 1535 CG LYS A 98 9.775 -14.291 3.736 1.00 0.00 C ATOM 1536 CD LYS A 98 9.926 -15.821 3.708 1.00 0.00 C ATOM 1537 CE LYS A 98 11.099 -16.319 2.849 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.387 -16.339 3.564 1.00 0.00 N ATOM 0 H LYS A 98 10.157 -12.356 1.417 1.00 0.00 H new ATOM 0 HA LYS A 98 9.531 -15.111 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.562 -12.741 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.752 -14.290 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.730 -13.825 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.508 -13.968 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.058 -16.181 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.002 -16.260 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.876 -17.324 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.191 -15.681 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.133 -16.685 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.622 -15.377 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.317 -16.969 4.388 1.00 0.00 H new ATOM 1552 N SER A 99 7.629 -13.449 -0.644 1.00 0.00 N ATOM 1553 CA SER A 99 6.512 -13.702 -1.561 1.00 0.00 C ATOM 1554 C SER A 99 6.690 -13.125 -2.976 1.00 0.00 C ATOM 1555 O SER A 99 5.883 -13.426 -3.851 1.00 0.00 O ATOM 1556 CB SER A 99 5.185 -13.222 -0.929 1.00 0.00 C ATOM 1557 OG SER A 99 5.356 -12.303 0.133 1.00 0.00 O ATOM 0 H SER A 99 8.221 -12.655 -0.887 1.00 0.00 H new ATOM 0 HA SER A 99 6.488 -14.782 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.572 -12.759 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.634 -14.088 -0.562 1.00 0.00 H new ATOM 0 HG SER A 99 5.618 -11.431 -0.228 1.00 0.00 H new ATOM 1563 N GLY A 100 7.681 -12.249 -3.194 1.00 0.00 N ATOM 1564 CA GLY A 100 7.860 -11.437 -4.396 1.00 0.00 C ATOM 1565 C GLY A 100 6.555 -10.831 -4.907 1.00 0.00 C ATOM 1566 O GLY A 100 6.337 -10.776 -6.114 1.00 0.00 O ATOM 0 H GLY A 100 8.411 -12.083 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.568 -10.636 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.300 -12.052 -5.181 1.00 0.00 H new ATOM 1570 N VAL A 101 5.687 -10.385 -3.996 1.00 0.00 N ATOM 1571 CA VAL A 101 4.516 -9.594 -4.339 1.00 0.00 C ATOM 1572 C VAL A 101 5.012 -8.373 -5.085 1.00 0.00 C ATOM 1573 O VAL A 101 5.949 -7.754 -4.588 1.00 0.00 O ATOM 1574 CB VAL A 101 3.803 -9.139 -3.061 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.515 -8.373 -3.348 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.530 -10.290 -2.102 1.00 0.00 C ATOM 0 H VAL A 101 5.782 -10.566 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 101 3.820 -10.177 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 101 4.497 -8.454 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.052 -8.075 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.743 -7.485 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.828 -9.011 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.024 -9.911 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.898 -11.030 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.473 -10.753 -1.812 1.00 0.00 H new ATOM 1586 N VAL A 102 4.386 -7.997 -6.197 1.00 0.00 N ATOM 1587 CA VAL A 102 4.707 -6.766 -6.904 1.00 0.00 C ATOM 1588 C VAL A 102 3.427 -5.943 -6.946 1.00 0.00 C ATOM 1589 O VAL A 102 2.344 -6.474 -7.203 1.00 0.00 O ATOM 1590 CB VAL A 102 5.313 -7.050 -8.304 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.249 -5.938 -8.714 1.00 0.00 C ATOM 1592 CG2 VAL A 102 6.109 -8.365 -8.398 1.00 0.00 C ATOM 0 H VAL A 102 3.641 -8.540 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 102 5.484 -6.201 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 102 4.449 -7.126 -8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.664 -6.156 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.701 -4.996 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.059 -5.858 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.497 -8.484 -9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.939 -8.339 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.455 -9.204 -8.159 1.00 0.00 H new ATOM 1602 N LEU A 103 3.557 -4.646 -6.662 1.00 0.00 N ATOM 1603 CA LEU A 103 2.517 -3.662 -6.891 1.00 0.00 C ATOM 1604 C LEU A 103 2.080 -3.748 -8.341 1.00 0.00 C ATOM 1605 O LEU A 103 2.914 -3.867 -9.234 1.00 0.00 O ATOM 1606 CB LEU A 103 3.075 -2.266 -6.632 1.00 0.00 C ATOM 1607 CG LEU A 103 3.405 -1.935 -5.165 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.311 -0.420 -4.968 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.538 -2.593 -4.088 1.00 0.00 C ATOM 0 H LEU A 103 4.407 -4.251 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 103 1.675 -3.852 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.981 -2.142 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.354 -1.534 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 103 4.405 -2.345 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.543 -0.173 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.022 0.077 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.301 -0.084 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.878 -2.275 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.498 -2.296 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.620 -3.677 -4.167 1.00 0.00 H new ATOM 1621 N HIS A 104 0.777 -3.647 -8.563 1.00 0.00 N ATOM 1622 CA HIS A 104 0.186 -3.806 -9.887 1.00 0.00 C ATOM 1623 C HIS A 104 -1.147 -3.062 -10.032 1.00 0.00 C ATOM 1624 O HIS A 104 -1.453 -2.634 -11.144 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.019 -5.305 -10.139 1.00 0.00 C ATOM 1626 CG HIS A 104 1.050 -6.016 -10.923 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.341 -5.837 -12.252 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.839 -7.039 -10.463 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.319 -6.695 -12.580 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.631 -7.478 -11.531 1.00 0.00 N ATOM 0 H HIS A 104 0.097 -3.452 -7.828 1.00 0.00 H new ATOM 0 HA HIS A 104 0.863 -3.372 -10.622 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.118 -5.801 -9.173 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -0.966 -5.435 -10.662 1.00 0.00 H new ATOM 0 HD2 HIS A 104 1.848 -7.435 -9.458 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.790 -6.750 -13.550 1.00 0.00 H new ATOM 0 HE2 HIS A 104 3.309 -8.240 -11.517 1.00 0.00 H new ATOM 1638 N ARG A 105 -1.952 -2.893 -8.970 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.202 -2.133 -9.035 1.00 0.00 C ATOM 1640 C ARG A 105 -3.510 -1.496 -7.678 1.00 0.00 C ATOM 1641 O ARG A 105 -3.179 -2.102 -6.666 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.331 -3.081 -9.487 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.577 -2.337 -9.982 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.430 -1.739 -11.379 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.605 -0.913 -11.689 1.00 0.00 N ATOM 1646 CZ ARG A 105 -7.484 -1.044 -12.688 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -7.336 -1.975 -13.632 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -8.516 -0.214 -12.728 1.00 0.00 N ATOM 0 H ARG A 105 -1.752 -3.280 -8.048 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.112 -1.321 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.959 -3.726 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.608 -3.729 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.423 -3.025 -9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.814 -1.538 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.524 -1.135 -11.433 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.328 -2.535 -12.117 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.773 -0.132 -11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.537 -2.609 -13.603 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -8.022 -2.053 -14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.624 0.501 -12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.203 -0.290 -13.478 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.185 -0.342 -7.616 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.539 0.364 -6.378 1.00 0.00 C ATOM 1664 C ALA A 106 -6.052 0.594 -6.257 1.00 0.00 C ATOM 1665 O ALA A 106 -6.630 1.248 -7.129 1.00 0.00 O ATOM 1666 CB ALA A 106 -3.839 1.716 -6.360 1.00 0.00 C ATOM 0 H ALA A 106 -4.510 0.142 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.222 -0.256 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.097 2.247 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.760 1.568 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.159 2.303 -7.221 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.688 0.098 -5.190 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.132 0.192 -5.005 1.00 0.00 C ATOM 1674 C VAL A 107 -8.463 1.653 -4.714 1.00 0.00 C ATOM 1675 O VAL A 107 -7.935 2.209 -3.757 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.651 -0.726 -3.872 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.180 -0.817 -3.982 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.127 -2.166 -3.890 1.00 0.00 C ATOM 0 H VAL A 107 -6.208 -0.382 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.631 -0.150 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.291 -0.268 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.564 -1.461 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.612 0.179 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.451 -1.234 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.554 -2.719 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.413 -2.646 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.040 -2.159 -3.803 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.323 2.302 -5.504 1.00 0.00 N ATOM 1689 CA PRO A 108 -9.798 3.630 -5.195 1.00 0.00 C ATOM 1690 C PRO A 108 -10.891 3.598 -4.126 1.00 0.00 C ATOM 1691 O PRO A 108 -12.036 3.228 -4.400 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.299 4.170 -6.521 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.816 2.917 -7.239 1.00 0.00 C ATOM 1694 CD PRO A 108 -9.991 1.770 -6.676 1.00 0.00 C ATOM 0 HA PRO A 108 -9.020 4.265 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.088 4.909 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.503 4.657 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.879 2.766 -7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.690 3.001 -8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.626 0.924 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.268 1.411 -7.409 1.00 0.00 H new ATOM 1702 N SER A 109 -10.559 4.070 -2.932 1.00 0.00 N ATOM 1703 CA SER A 109 -11.549 4.444 -1.926 1.00 0.00 C ATOM 1704 C SER A 109 -12.229 5.753 -2.362 1.00 0.00 C ATOM 1705 O SER A 109 -13.452 5.904 -2.319 1.00 0.00 O ATOM 1706 CB SER A 109 -10.840 4.587 -0.567 1.00 0.00 C ATOM 1707 OG SER A 109 -11.742 4.386 0.501 1.00 0.00 O ATOM 0 H SER A 109 -9.594 4.205 -2.631 1.00 0.00 H new ATOM 0 HA SER A 109 -12.321 3.681 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.026 3.865 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.394 5.578 -0.489 1.00 0.00 H new ATOM 0 HG SER A 109 -11.770 3.434 0.731 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.430 6.707 -2.844 1.00 0.00 N ATOM 1714 CA GLY A 110 -11.773 8.122 -2.916 1.00 0.00 C ATOM 1715 C GLY A 110 -10.881 8.886 -1.936 1.00 0.00 C ATOM 1716 O GLY A 110 -10.322 8.269 -1.030 1.00 0.00 O ATOM 0 H GLY A 110 -10.498 6.506 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.630 8.496 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.824 8.271 -2.667 1.00 0.00 H new