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 : amide:sc= 1.02 K(o=0.64,f=-0.15) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.376 X(o=0.64,f=1.1) USER MOD Set 2.1: A 91 THR OG1 : rot -157:sc= 1.1 USER MOD Set 2.2: A 93 GLN : amide:sc=-0.00397 K(o=1.1,f=-0.26) USER MOD Set 3.1: A 52 SER OG : rot -128:sc= 1.91 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.919 K(o=2.8,f=-4.6!) USER MOD Set 4.1: A 43 SER OG : rot 84:sc= 0.656 USER MOD Set 4.2: A 44 GLN : amide:sc= -0.518 X(o=0.14,f=0.038) USER MOD Set 5.1: A 20 HIS : no HE2:sc= -1.43 K(o=-1.3,f=-2.9!) USER MOD Set 5.2: A 109 SER OG : rot -44:sc= 0.102 USER MOD Set 6.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.04) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 1.23 (180deg=0.0469) USER MOD Single : A 14 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= 1.34 K(o=1.3,f=-0.77) USER MOD Single : A 34 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 35 SER OG : rot 40:sc= 0.0167 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 1.99 (180deg=0.476) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.73) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -160:sc= -0.339 USER MOD Single : A 87 HIS : no HD1:sc=-0.00518 X(o=-0.0052,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 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 -169:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -1.136 10.514 -8.251 1.00 0.00 N ATOM 67 CA GLU A 8 -1.379 11.027 -6.907 1.00 0.00 C ATOM 68 C GLU A 8 -0.138 10.823 -6.030 1.00 0.00 C ATOM 69 O GLU A 8 -0.233 10.648 -4.824 1.00 0.00 O ATOM 70 CB GLU A 8 -2.650 10.385 -6.320 1.00 0.00 C ATOM 71 CG GLU A 8 -3.923 10.946 -6.971 1.00 0.00 C ATOM 72 CD GLU A 8 -4.383 10.289 -8.276 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.993 9.140 -8.569 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.213 10.917 -8.978 1.00 0.00 O ATOM 0 HA GLU A 8 -1.559 12.101 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.613 9.305 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.683 10.561 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.735 10.869 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.766 12.007 -7.163 1.00 0.00 H new ATOM 81 N VAL A 9 1.056 10.836 -6.612 1.00 0.00 N ATOM 82 CA VAL A 9 2.297 10.565 -5.895 1.00 0.00 C ATOM 83 C VAL A 9 2.578 11.704 -4.919 1.00 0.00 C ATOM 84 O VAL A 9 2.708 11.481 -3.719 1.00 0.00 O ATOM 85 CB VAL A 9 3.448 10.399 -6.901 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.688 9.812 -6.228 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.024 9.543 -8.105 1.00 0.00 C ATOM 0 H VAL A 9 1.191 11.037 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 9 2.205 9.640 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 9 3.702 11.392 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.485 9.706 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.017 10.476 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.447 8.834 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.862 9.446 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.722 8.554 -7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.187 10.021 -8.614 1.00 0.00 H new ATOM 97 N GLN A 10 2.657 12.935 -5.440 1.00 0.00 N ATOM 98 CA GLN A 10 3.074 14.108 -4.676 1.00 0.00 C ATOM 99 C GLN A 10 2.025 14.519 -3.632 1.00 0.00 C ATOM 100 O GLN A 10 2.319 15.303 -2.725 1.00 0.00 O ATOM 101 CB GLN A 10 3.356 15.284 -5.633 1.00 0.00 C ATOM 102 CG GLN A 10 4.349 14.955 -6.763 1.00 0.00 C ATOM 103 CD GLN A 10 5.649 14.348 -6.239 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.255 14.873 -5.311 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.094 13.244 -6.809 1.00 0.00 N ATOM 0 H GLN A 10 2.430 13.142 -6.413 1.00 0.00 H new ATOM 0 HA GLN A 10 3.985 13.845 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.415 15.611 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.745 16.122 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.883 14.260 -7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.575 15.864 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.575 12.823 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.957 12.812 -6.479 1.00 0.00 H new ATOM 114 N LYS A 11 0.789 14.031 -3.788 1.00 0.00 N ATOM 115 CA LYS A 11 -0.325 14.246 -2.873 1.00 0.00 C ATOM 116 C LYS A 11 0.027 13.731 -1.474 1.00 0.00 C ATOM 117 O LYS A 11 0.962 12.942 -1.293 1.00 0.00 O ATOM 118 CB LYS A 11 -1.566 13.523 -3.435 1.00 0.00 C ATOM 119 CG LYS A 11 -2.335 14.344 -4.479 1.00 0.00 C ATOM 120 CD LYS A 11 -3.411 15.199 -3.803 1.00 0.00 C ATOM 121 CE LYS A 11 -4.264 15.948 -4.826 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.532 16.382 -4.213 1.00 0.00 N ATOM 0 H LYS A 11 0.533 13.453 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.537 15.312 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.254 12.580 -3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.237 13.278 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.644 14.985 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.797 13.677 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.051 14.562 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.938 15.914 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.718 16.814 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.467 15.304 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.330 15.956 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.559 16.079 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.604 17.418 -4.261 1.00 0.00 H new ATOM 136 N PRO A 12 -0.723 14.150 -0.448 1.00 0.00 N ATOM 137 CA PRO A 12 -0.573 13.567 0.865 1.00 0.00 C ATOM 138 C PRO A 12 -1.139 12.153 0.868 1.00 0.00 C ATOM 139 O PRO A 12 -1.935 11.780 0.007 1.00 0.00 O ATOM 140 CB PRO A 12 -1.360 14.474 1.799 1.00 0.00 C ATOM 141 CG PRO A 12 -2.473 15.010 0.910 1.00 0.00 C ATOM 142 CD PRO A 12 -1.850 15.069 -0.479 1.00 0.00 C ATOM 0 HA PRO A 12 0.470 13.492 1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.756 13.925 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.740 15.278 2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.345 14.357 0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.806 15.995 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.571 14.778 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.523 16.081 -0.718 1.00 0.00 H new ATOM 150 N LEU A 13 -0.794 11.394 1.904 1.00 0.00 N ATOM 151 CA LEU A 13 -1.430 10.125 2.228 1.00 0.00 C ATOM 152 C LEU A 13 -2.923 10.353 2.482 1.00 0.00 C ATOM 153 O LEU A 13 -3.746 9.561 2.032 1.00 0.00 O ATOM 154 CB LEU A 13 -0.676 9.528 3.422 1.00 0.00 C ATOM 155 CG LEU A 13 -1.049 8.085 3.824 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.052 7.555 4.742 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.334 7.950 4.639 1.00 0.00 C ATOM 0 H LEU A 13 -0.050 11.650 2.553 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.378 9.409 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.391 9.555 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.838 10.174 4.285 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.179 7.548 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.185 6.535 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.004 7.565 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.123 8.187 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.509 6.900 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.238 8.516 5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.173 8.338 4.062 1.00 0.00 H new ATOM 169 N HIS A 14 -3.278 11.457 3.149 1.00 0.00 N ATOM 170 CA HIS A 14 -4.637 11.706 3.625 1.00 0.00 C ATOM 171 C HIS A 14 -5.622 12.102 2.507 1.00 0.00 C ATOM 172 O HIS A 14 -6.723 12.577 2.794 1.00 0.00 O ATOM 173 CB HIS A 14 -4.615 12.734 4.772 1.00 0.00 C ATOM 174 CG HIS A 14 -4.236 14.140 4.370 1.00 0.00 C ATOM 175 ND1 HIS A 14 -4.999 15.001 3.618 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.074 14.786 4.686 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.298 16.141 3.469 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.111 16.056 4.100 1.00 0.00 N ATOM 0 H HIS A 14 -2.623 12.206 3.374 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.020 10.761 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.602 12.759 5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.915 12.390 5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.268 14.386 5.284 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.641 17.005 2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.386 16.772 4.142 1.00 0.00 H new ATOM 186 N GLU A 15 -5.236 11.971 1.235 1.00 0.00 N ATOM 187 CA GLU A 15 -6.108 12.166 0.075 1.00 0.00 C ATOM 188 C GLU A 15 -6.018 10.989 -0.910 1.00 0.00 C ATOM 189 O GLU A 15 -6.565 11.098 -2.008 1.00 0.00 O ATOM 190 CB GLU A 15 -5.775 13.500 -0.631 1.00 0.00 C ATOM 191 CG GLU A 15 -6.107 14.743 0.206 1.00 0.00 C ATOM 192 CD GLU A 15 -6.319 15.985 -0.666 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.440 16.333 -1.483 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.433 16.560 -0.566 1.00 0.00 O ATOM 0 H GLU A 15 -4.282 11.719 0.977 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.136 12.208 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.714 13.514 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.324 13.549 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.006 14.555 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.298 14.930 0.913 1.00 0.00 H new ATOM 201 N GLN A 16 -5.297 9.907 -0.586 1.00 0.00 N ATOM 202 CA GLN A 16 -5.073 8.817 -1.535 1.00 0.00 C ATOM 203 C GLN A 16 -6.340 7.990 -1.756 1.00 0.00 C ATOM 204 O GLN A 16 -7.295 8.037 -0.981 1.00 0.00 O ATOM 205 CB GLN A 16 -3.939 7.900 -1.058 1.00 0.00 C ATOM 206 CG GLN A 16 -2.592 8.610 -0.970 1.00 0.00 C ATOM 207 CD GLN A 16 -2.017 9.014 -2.322 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.075 8.271 -3.300 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.403 10.178 -2.372 1.00 0.00 N ATOM 0 H GLN A 16 -4.861 9.767 0.325 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.791 9.274 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.194 7.496 -0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.853 7.054 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.702 9.501 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.881 7.957 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.371 10.774 -1.545 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.960 10.484 -3.238 1.00 0.00 H new ATOM 218 N LEU A 17 -6.299 7.210 -2.833 1.00 0.00 N ATOM 219 CA LEU A 17 -7.371 6.381 -3.359 1.00 0.00 C ATOM 220 C LEU A 17 -7.325 5.055 -2.623 1.00 0.00 C ATOM 221 O LEU A 17 -8.281 4.697 -1.946 1.00 0.00 O ATOM 222 CB LEU A 17 -7.271 6.194 -4.898 1.00 0.00 C ATOM 223 CG LEU A 17 -5.862 6.115 -5.532 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.902 5.293 -6.824 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.276 7.496 -5.862 1.00 0.00 C ATOM 0 H LEU A 17 -5.453 7.138 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.331 6.870 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.806 5.280 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.803 7.020 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.224 5.640 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.903 5.247 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.248 4.283 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.584 5.763 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.287 7.375 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.929 8.009 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.196 8.085 -4.948 1.00 0.00 H new ATOM 237 N TRP A 18 -6.183 4.371 -2.710 1.00 0.00 N ATOM 238 CA TRP A 18 -5.901 3.134 -2.005 1.00 0.00 C ATOM 239 C TRP A 18 -5.791 3.327 -0.500 1.00 0.00 C ATOM 240 O TRP A 18 -5.682 2.329 0.218 1.00 0.00 O ATOM 241 CB TRP A 18 -4.610 2.533 -2.562 1.00 0.00 C ATOM 242 CG TRP A 18 -3.471 3.497 -2.720 1.00 0.00 C ATOM 243 CD1 TRP A 18 -3.051 4.025 -3.894 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.623 4.098 -1.690 1.00 0.00 C ATOM 245 NE1 TRP A 18 -2.010 4.891 -3.663 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.701 4.971 -2.331 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.542 4.027 -0.281 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.746 5.707 -1.631 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.599 4.784 0.443 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.685 5.611 -0.231 1.00 0.00 C ATOM 0 H TRP A 18 -5.407 4.679 -3.295 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.738 2.455 -2.166 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.292 1.724 -1.904 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.825 2.088 -3.533 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.470 3.800 -4.863 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.526 5.411 -4.395 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.219 3.377 0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.057 6.347 -2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.579 4.728 1.521 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.057 6.168 0.322 1.00 0.00 H new ATOM 261 N TYR A 19 -5.774 4.564 0.007 1.00 0.00 N ATOM 262 CA TYR A 19 -5.914 4.769 1.442 1.00 0.00 C ATOM 263 C TYR A 19 -7.404 4.669 1.803 1.00 0.00 C ATOM 264 O TYR A 19 -8.192 5.530 1.424 1.00 0.00 O ATOM 265 CB TYR A 19 -5.270 6.083 1.888 1.00 0.00 C ATOM 266 CG TYR A 19 -5.281 6.264 3.390 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.886 5.211 4.238 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.723 7.474 3.948 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.052 5.308 5.627 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.832 7.599 5.340 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.555 6.502 6.184 1.00 0.00 C ATOM 272 OH TYR A 19 -5.820 6.584 7.515 1.00 0.00 O ATOM 0 H TYR A 19 -5.667 5.416 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.376 3.993 1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.241 6.117 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.797 6.916 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.450 4.319 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.978 8.305 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.797 4.475 6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.131 8.543 5.771 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.159 7.479 7.727 1.00 0.00 H new ATOM 282 N HIS A 20 -7.800 3.594 2.488 1.00 0.00 N ATOM 283 CA HIS A 20 -9.168 3.321 2.943 1.00 0.00 C ATOM 284 C HIS A 20 -9.351 3.759 4.403 1.00 0.00 C ATOM 285 O HIS A 20 -10.370 4.364 4.731 1.00 0.00 O ATOM 286 CB HIS A 20 -9.538 1.829 2.786 1.00 0.00 C ATOM 287 CG HIS A 20 -9.853 1.353 1.391 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.057 0.821 0.990 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.003 1.281 0.319 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.961 0.522 -0.315 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.714 0.751 -0.753 1.00 0.00 N ATOM 0 H HIS A 20 -7.148 2.856 2.753 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.841 3.900 2.311 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.712 1.231 3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.402 1.624 3.419 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.877 0.679 1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.966 1.582 0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.771 0.150 -0.925 1.00 0.00 H new ATOM 299 N GLY A 21 -8.382 3.489 5.286 1.00 0.00 N ATOM 300 CA GLY A 21 -8.395 3.854 6.686 1.00 0.00 C ATOM 301 C GLY A 21 -8.157 2.593 7.505 1.00 0.00 C ATOM 302 O GLY A 21 -7.340 1.754 7.149 1.00 0.00 O ATOM 0 H GLY A 21 -7.535 2.987 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.622 4.594 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.350 4.307 6.953 1.00 0.00 H new ATOM 306 N ALA A 22 -8.797 2.465 8.652 1.00 0.00 N ATOM 307 CA ALA A 22 -8.470 1.489 9.701 1.00 0.00 C ATOM 308 C ALA A 22 -9.072 0.087 9.508 1.00 0.00 C ATOM 309 O ALA A 22 -9.479 -0.589 10.461 1.00 0.00 O ATOM 310 CB ALA A 22 -8.850 2.099 11.042 1.00 0.00 C ATOM 0 H ALA A 22 -9.591 3.056 8.898 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.398 1.299 9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.618 1.395 11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.288 3.020 11.195 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.917 2.320 11.052 1.00 0.00 H new ATOM 316 N ILE A 23 -9.152 -0.335 8.257 1.00 0.00 N ATOM 317 CA ILE A 23 -9.962 -1.462 7.801 1.00 0.00 C ATOM 318 C ILE A 23 -9.411 -2.811 8.336 1.00 0.00 C ATOM 319 O ILE A 23 -8.189 -2.989 8.423 1.00 0.00 O ATOM 320 CB ILE A 23 -10.163 -1.414 6.255 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.659 -2.688 5.547 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.574 -0.175 5.559 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.028 -2.796 4.077 1.00 0.00 C ATOM 0 H ILE A 23 -8.636 0.112 7.499 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.961 -1.377 8.229 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.246 -1.348 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.574 -2.730 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.057 -3.558 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.765 -0.234 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.040 0.724 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.499 -0.136 5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.629 -3.725 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.113 -2.790 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.607 -1.950 3.533 1.00 0.00 H new ATOM 335 N PRO A 24 -10.269 -3.807 8.628 1.00 0.00 N ATOM 336 CA PRO A 24 -9.858 -5.144 9.055 1.00 0.00 C ATOM 337 C PRO A 24 -9.358 -6.021 7.896 1.00 0.00 C ATOM 338 O PRO A 24 -9.660 -5.798 6.725 1.00 0.00 O ATOM 339 CB PRO A 24 -11.114 -5.769 9.663 1.00 0.00 C ATOM 340 CG PRO A 24 -12.244 -5.115 8.877 1.00 0.00 C ATOM 341 CD PRO A 24 -11.718 -3.716 8.569 1.00 0.00 C ATOM 0 HA PRO A 24 -9.023 -5.074 9.752 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.120 -6.853 9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.192 -5.560 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.467 -5.667 7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.165 -5.076 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.048 -3.384 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.093 -2.991 9.292 1.00 0.00 H new ATOM 349 N ARG A 25 -8.656 -7.107 8.221 1.00 0.00 N ATOM 350 CA ARG A 25 -8.097 -8.042 7.241 1.00 0.00 C ATOM 351 C ARG A 25 -9.140 -8.744 6.382 1.00 0.00 C ATOM 352 O ARG A 25 -8.804 -9.165 5.276 1.00 0.00 O ATOM 353 CB ARG A 25 -7.237 -9.097 7.953 1.00 0.00 C ATOM 354 CG ARG A 25 -8.059 -9.988 8.899 1.00 0.00 C ATOM 355 CD ARG A 25 -7.139 -10.874 9.722 1.00 0.00 C ATOM 356 NE ARG A 25 -7.896 -11.922 10.423 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.675 -12.359 11.665 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.771 -11.772 12.444 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.357 -13.389 12.141 1.00 0.00 N ATOM 0 H ARG A 25 -8.456 -7.367 9.187 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.494 -7.436 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.744 -9.722 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.452 -8.598 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.664 -9.367 9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.748 -10.605 8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.394 -11.333 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.598 -10.266 10.447 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.664 -12.357 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.236 -10.977 12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.613 -12.117 13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.054 -13.852 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.185 -13.720 13.090 1.00 0.00 H new ATOM 373 N ALA A 26 -10.359 -8.911 6.890 1.00 0.00 N ATOM 374 CA ALA A 26 -11.406 -9.588 6.142 1.00 0.00 C ATOM 375 C ALA A 26 -11.863 -8.693 4.991 1.00 0.00 C ATOM 376 O ALA A 26 -12.084 -9.169 3.882 1.00 0.00 O ATOM 377 CB ALA A 26 -12.553 -9.916 7.094 1.00 0.00 C ATOM 0 H ALA A 26 -10.642 -8.586 7.815 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.038 -10.520 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.346 -10.425 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.190 -10.564 7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.943 -8.994 7.525 1.00 0.00 H new ATOM 383 N GLU A 27 -11.987 -7.391 5.264 1.00 0.00 N ATOM 384 CA GLU A 27 -12.505 -6.418 4.311 1.00 0.00 C ATOM 385 C GLU A 27 -11.537 -6.265 3.145 1.00 0.00 C ATOM 386 O GLU A 27 -11.966 -6.150 2.017 1.00 0.00 O ATOM 387 CB GLU A 27 -12.738 -5.080 5.018 1.00 0.00 C ATOM 388 CG GLU A 27 -14.002 -5.090 5.886 1.00 0.00 C ATOM 389 CD GLU A 27 -15.288 -4.891 5.089 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.779 -5.872 4.489 1.00 0.00 O ATOM 391 OE2 GLU A 27 -15.832 -3.761 5.118 1.00 0.00 O ATOM 0 H GLU A 27 -11.727 -6.984 6.162 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.458 -6.766 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.875 -4.846 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.818 -4.288 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.058 -6.038 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.924 -4.304 6.637 1.00 0.00 H new ATOM 398 N VAL A 28 -10.233 -6.392 3.371 1.00 0.00 N ATOM 399 CA VAL A 28 -9.229 -6.464 2.316 1.00 0.00 C ATOM 400 C VAL A 28 -9.727 -7.364 1.180 1.00 0.00 C ATOM 401 O VAL A 28 -9.859 -6.902 0.056 1.00 0.00 O ATOM 402 CB VAL A 28 -7.876 -6.943 2.879 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.823 -7.078 1.777 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.304 -6.030 3.974 1.00 0.00 C ATOM 0 H VAL A 28 -9.838 -6.449 4.310 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.069 -5.466 1.907 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.094 -7.915 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.883 -7.418 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.162 -7.802 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.672 -6.111 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.352 -6.431 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.151 -5.029 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.003 -5.981 4.809 1.00 0.00 H new ATOM 414 N ALA A 29 -9.961 -8.649 1.433 1.00 0.00 N ATOM 415 CA ALA A 29 -10.247 -9.593 0.353 1.00 0.00 C ATOM 416 C ALA A 29 -11.630 -9.382 -0.265 1.00 0.00 C ATOM 417 O ALA A 29 -11.932 -9.962 -1.303 1.00 0.00 O ATOM 418 CB ALA A 29 -10.160 -11.029 0.838 1.00 0.00 C ATOM 0 H ALA A 29 -9.959 -9.059 2.367 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.489 -9.404 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.378 -11.706 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.156 -11.226 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.884 -11.188 1.637 1.00 0.00 H new ATOM 424 N GLU A 30 -12.484 -8.613 0.396 1.00 0.00 N ATOM 425 CA GLU A 30 -13.727 -8.120 -0.158 1.00 0.00 C ATOM 426 C GLU A 30 -13.461 -7.025 -1.206 1.00 0.00 C ATOM 427 O GLU A 30 -14.218 -6.899 -2.167 1.00 0.00 O ATOM 428 CB GLU A 30 -14.593 -7.643 1.026 1.00 0.00 C ATOM 429 CG GLU A 30 -15.809 -6.821 0.619 1.00 0.00 C ATOM 430 CD GLU A 30 -16.799 -7.651 -0.202 1.00 0.00 C ATOM 431 OE1 GLU A 30 -16.784 -8.904 -0.104 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.638 -7.057 -0.915 1.00 0.00 O ATOM 0 H GLU A 30 -12.323 -8.310 1.356 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.266 -8.900 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.929 -8.513 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.974 -7.048 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.305 -6.438 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.487 -5.957 0.038 1.00 0.00 H new ATOM 439 N LEU A 31 -12.406 -6.230 -1.029 1.00 0.00 N ATOM 440 CA LEU A 31 -12.092 -5.076 -1.858 1.00 0.00 C ATOM 441 C LEU A 31 -11.193 -5.455 -3.026 1.00 0.00 C ATOM 442 O LEU A 31 -11.406 -4.980 -4.141 1.00 0.00 O ATOM 443 CB LEU A 31 -11.346 -4.031 -1.023 1.00 0.00 C ATOM 444 CG LEU A 31 -12.139 -3.511 0.189 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.165 -2.753 1.072 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.257 -2.549 -0.219 1.00 0.00 C ATOM 0 H LEU A 31 -11.729 -6.379 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.035 -4.683 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.409 -4.464 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.087 -3.188 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.597 -4.360 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.690 -2.367 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.369 -3.424 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.735 -1.923 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.788 -2.210 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.828 -1.690 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.953 -3.061 -0.883 1.00 0.00 H new ATOM 458 N LEU A 32 -10.134 -6.223 -2.752 1.00 0.00 N ATOM 459 CA LEU A 32 -9.149 -6.637 -3.743 1.00 0.00 C ATOM 460 C LEU A 32 -9.766 -7.785 -4.531 1.00 0.00 C ATOM 461 O LEU A 32 -10.280 -8.703 -3.893 1.00 0.00 O ATOM 462 CB LEU A 32 -7.847 -7.154 -3.092 1.00 0.00 C ATOM 463 CG LEU A 32 -7.276 -6.432 -1.857 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.942 -7.045 -1.457 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.148 -4.922 -2.007 1.00 0.00 C ATOM 0 H LEU A 32 -9.938 -6.578 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.895 -5.779 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.012 -8.195 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.074 -7.148 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.009 -6.581 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.550 -6.525 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.083 -8.099 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.236 -6.950 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.738 -4.499 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.484 -4.694 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.131 -4.491 -2.198 1.00 0.00 H new ATOM 477 N VAL A 33 -9.689 -7.810 -5.864 1.00 0.00 N ATOM 478 CA VAL A 33 -10.356 -8.869 -6.638 1.00 0.00 C ATOM 479 C VAL A 33 -9.450 -9.509 -7.685 1.00 0.00 C ATOM 480 O VAL A 33 -9.693 -10.659 -8.062 1.00 0.00 O ATOM 481 CB VAL A 33 -11.667 -8.320 -7.239 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.472 -9.388 -7.977 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.582 -7.738 -6.150 1.00 0.00 C ATOM 0 H VAL A 33 -9.182 -7.125 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.601 -9.683 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.355 -7.547 -7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.383 -8.944 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.875 -9.793 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.733 -10.189 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.497 -7.360 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.831 -8.517 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.068 -6.923 -5.640 1.00 0.00 H new ATOM 493 N HIS A 34 -8.394 -8.830 -8.130 1.00 0.00 N ATOM 494 CA HIS A 34 -7.403 -9.430 -9.012 1.00 0.00 C ATOM 495 C HIS A 34 -6.020 -9.226 -8.418 1.00 0.00 C ATOM 496 O HIS A 34 -5.825 -8.456 -7.473 1.00 0.00 O ATOM 497 CB HIS A 34 -7.505 -8.841 -10.424 1.00 0.00 C ATOM 498 CG HIS A 34 -8.872 -8.978 -11.038 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.293 -9.960 -11.912 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.929 -8.146 -10.797 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.585 -9.715 -12.189 1.00 0.00 C ATOM 502 NE2 HIS A 34 -11.013 -8.629 -11.533 1.00 0.00 N ATOM 0 H HIS A 34 -8.205 -7.857 -7.890 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.591 -10.500 -9.099 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.236 -7.785 -10.388 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.776 -9.334 -11.067 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.926 -7.277 -10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.195 -10.312 -12.850 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.951 -8.231 -11.565 1.00 0.00 H new ATOM 510 N SER A 35 -5.054 -9.940 -8.984 1.00 0.00 N ATOM 511 CA SER A 35 -3.670 -9.878 -8.587 1.00 0.00 C ATOM 512 C SER A 35 -3.194 -8.430 -8.634 1.00 0.00 C ATOM 513 O SER A 35 -3.297 -7.757 -9.668 1.00 0.00 O ATOM 514 CB SER A 35 -2.856 -10.789 -9.516 1.00 0.00 C ATOM 515 OG SER A 35 -3.255 -10.644 -10.871 1.00 0.00 O ATOM 0 H SER A 35 -5.225 -10.591 -9.750 1.00 0.00 H new ATOM 0 HA SER A 35 -3.538 -10.229 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.796 -10.553 -9.421 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.980 -11.827 -9.209 1.00 0.00 H new ATOM 0 HG SER A 35 -3.434 -9.699 -11.060 1.00 0.00 H new ATOM 521 N GLY A 36 -2.653 -7.957 -7.516 1.00 0.00 N ATOM 522 CA GLY A 36 -1.990 -6.672 -7.453 1.00 0.00 C ATOM 523 C GLY A 36 -2.842 -5.542 -6.924 1.00 0.00 C ATOM 524 O GLY A 36 -2.262 -4.483 -6.701 1.00 0.00 O ATOM 0 H GLY A 36 -2.665 -8.460 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.105 -6.766 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.643 -6.409 -8.452 1.00 0.00 H new ATOM 528 N ASP A 37 -4.152 -5.736 -6.736 1.00 0.00 N ATOM 529 CA ASP A 37 -5.024 -4.798 -6.021 1.00 0.00 C ATOM 530 C ASP A 37 -4.424 -4.619 -4.624 1.00 0.00 C ATOM 531 O ASP A 37 -4.264 -5.628 -3.939 1.00 0.00 O ATOM 532 CB ASP A 37 -6.466 -5.352 -5.940 1.00 0.00 C ATOM 533 CG ASP A 37 -7.358 -4.984 -7.131 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.480 -3.778 -7.431 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.988 -5.890 -7.731 1.00 0.00 O ATOM 0 H ASP A 37 -4.643 -6.561 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.083 -3.841 -6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.420 -6.438 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.932 -4.984 -5.026 1.00 0.00 H new ATOM 540 N PHE A 38 -4.078 -3.397 -4.190 1.00 0.00 N ATOM 541 CA PHE A 38 -3.543 -3.107 -2.852 1.00 0.00 C ATOM 542 C PHE A 38 -4.303 -1.975 -2.154 1.00 0.00 C ATOM 543 O PHE A 38 -4.929 -1.130 -2.800 1.00 0.00 O ATOM 544 CB PHE A 38 -2.028 -2.785 -2.888 1.00 0.00 C ATOM 545 CG PHE A 38 -1.639 -1.559 -3.687 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.697 -0.267 -3.129 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.211 -1.723 -5.014 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.385 0.853 -3.921 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.944 -0.605 -5.813 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.040 0.686 -5.273 1.00 0.00 C ATOM 0 H PHE A 38 -4.165 -2.565 -4.773 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.686 -4.018 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.678 -2.656 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.501 -3.646 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.980 -0.136 -2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.087 -2.716 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.411 1.843 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.663 -0.737 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.849 1.549 -5.894 1.00 0.00 H new ATOM 560 N LEU A 39 -4.186 -1.935 -0.819 1.00 0.00 N ATOM 561 CA LEU A 39 -4.683 -0.892 0.074 1.00 0.00 C ATOM 562 C LEU A 39 -3.741 -0.774 1.291 1.00 0.00 C ATOM 563 O LEU A 39 -3.011 -1.719 1.597 1.00 0.00 O ATOM 564 CB LEU A 39 -6.150 -1.208 0.425 1.00 0.00 C ATOM 565 CG LEU A 39 -6.394 -2.268 1.522 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.539 -1.707 2.921 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.701 -2.988 1.223 1.00 0.00 C ATOM 0 H LEU A 39 -3.711 -2.679 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.682 0.091 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.632 -0.281 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.653 -1.539 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.515 -2.912 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.707 -2.522 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.629 -1.173 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.385 -1.021 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.886 -3.740 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.519 -2.268 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.635 -3.472 0.249 1.00 0.00 H new ATOM 579 N VAL A 40 -3.738 0.376 1.969 1.00 0.00 N ATOM 580 CA VAL A 40 -2.926 0.728 3.140 1.00 0.00 C ATOM 581 C VAL A 40 -3.870 0.959 4.323 1.00 0.00 C ATOM 582 O VAL A 40 -4.510 2.004 4.413 1.00 0.00 O ATOM 583 CB VAL A 40 -2.072 1.981 2.836 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.382 2.565 4.081 1.00 0.00 C ATOM 585 CG2 VAL A 40 -0.998 1.641 1.791 1.00 0.00 C ATOM 0 H VAL A 40 -4.349 1.145 1.694 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.236 -0.078 3.388 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.762 2.736 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.800 3.441 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.136 2.852 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.721 1.815 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.400 2.528 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.353 0.851 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.478 1.302 0.873 1.00 0.00 H new ATOM 595 N ARG A 41 -4.028 -0.038 5.192 1.00 0.00 N ATOM 596 CA ARG A 41 -4.973 0.022 6.302 1.00 0.00 C ATOM 597 C ARG A 41 -4.259 0.384 7.601 1.00 0.00 C ATOM 598 O ARG A 41 -3.085 0.072 7.735 1.00 0.00 O ATOM 599 CB ARG A 41 -5.771 -1.286 6.392 1.00 0.00 C ATOM 600 CG ARG A 41 -4.921 -2.521 6.729 1.00 0.00 C ATOM 601 CD ARG A 41 -5.642 -3.768 6.196 1.00 0.00 C ATOM 602 NE ARG A 41 -4.937 -5.023 6.484 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.137 -5.817 7.539 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.988 -5.483 8.495 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.479 -6.964 7.642 1.00 0.00 N ATOM 0 H ARG A 41 -3.503 -0.911 5.145 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.696 0.818 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.546 -1.174 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.277 -1.456 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.932 -2.434 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.776 -2.599 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.640 -3.814 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.768 -3.671 5.118 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.226 -5.317 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.505 -4.606 8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.127 -6.103 9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.819 -7.241 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.633 -7.569 8.448 1.00 0.00 H new ATOM 619 N GLU A 42 -4.925 1.017 8.559 1.00 0.00 N ATOM 620 CA GLU A 42 -4.384 1.256 9.914 1.00 0.00 C ATOM 621 C GLU A 42 -4.673 0.021 10.775 1.00 0.00 C ATOM 622 O GLU A 42 -5.627 -0.706 10.497 1.00 0.00 O ATOM 623 CB GLU A 42 -4.971 2.535 10.547 1.00 0.00 C ATOM 624 CG GLU A 42 -4.153 3.117 11.724 1.00 0.00 C ATOM 625 CD GLU A 42 -5.016 4.003 12.657 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.875 4.772 12.161 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.832 3.995 13.899 1.00 0.00 O ATOM 0 H GLU A 42 -5.866 1.387 8.427 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.308 1.415 9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.059 3.298 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.980 2.319 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.719 2.300 12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.324 3.706 11.332 1.00 0.00 H new ATOM 634 N SER A 43 -3.852 -0.245 11.792 1.00 0.00 N ATOM 635 CA SER A 43 -3.892 -1.445 12.622 1.00 0.00 C ATOM 636 C SER A 43 -5.109 -1.499 13.559 1.00 0.00 C ATOM 637 O SER A 43 -5.835 -0.523 13.757 1.00 0.00 O ATOM 638 CB SER A 43 -2.589 -1.513 13.434 1.00 0.00 C ATOM 639 OG SER A 43 -2.380 -2.817 13.940 1.00 0.00 O ATOM 0 H SER A 43 -3.111 0.398 12.070 1.00 0.00 H new ATOM 0 HA SER A 43 -3.989 -2.307 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.748 -1.223 12.805 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.631 -0.801 14.258 1.00 0.00 H new ATOM 0 HG SER A 43 -1.952 -3.370 13.253 1.00 0.00 H new ATOM 645 N GLN A 44 -5.296 -2.665 14.188 1.00 0.00 N ATOM 646 CA GLN A 44 -6.255 -2.915 15.256 1.00 0.00 C ATOM 647 C GLN A 44 -5.913 -2.093 16.509 1.00 0.00 C ATOM 648 O GLN A 44 -5.299 -2.592 17.466 1.00 0.00 O ATOM 649 CB GLN A 44 -6.390 -4.420 15.569 1.00 0.00 C ATOM 650 CG GLN A 44 -5.076 -5.215 15.709 1.00 0.00 C ATOM 651 CD GLN A 44 -4.649 -5.847 14.392 1.00 0.00 C ATOM 652 OE1 GLN A 44 -5.289 -6.769 13.897 1.00 0.00 O ATOM 653 NE2 GLN A 44 -3.590 -5.368 13.773 1.00 0.00 N ATOM 0 H GLN A 44 -4.754 -3.496 13.951 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.232 -2.584 14.905 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.953 -4.526 16.496 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.985 -4.880 14.780 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.288 -4.552 16.066 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.202 -5.994 16.461 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.060 -4.601 14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.299 -5.764 12.879 1.00 0.00 H new ATOM 662 N GLY A 45 -6.361 -0.839 16.531 1.00 0.00 N ATOM 663 CA GLY A 45 -6.214 0.055 17.666 1.00 0.00 C ATOM 664 C GLY A 45 -4.761 0.462 17.886 1.00 0.00 C ATOM 665 O GLY A 45 -4.385 0.643 19.041 1.00 0.00 O ATOM 0 H GLY A 45 -6.846 -0.412 15.741 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.820 0.947 17.507 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.594 -0.433 18.564 1.00 0.00 H new ATOM 669 N LYS A 46 -3.914 0.480 16.849 1.00 0.00 N ATOM 670 CA LYS A 46 -2.551 1.003 16.944 1.00 0.00 C ATOM 671 C LYS A 46 -2.365 2.001 15.820 1.00 0.00 C ATOM 672 O LYS A 46 -2.789 1.710 14.704 1.00 0.00 O ATOM 673 CB LYS A 46 -1.452 -0.071 16.855 1.00 0.00 C ATOM 674 CG LYS A 46 -1.693 -1.333 17.680 1.00 0.00 C ATOM 675 CD LYS A 46 -1.632 -1.110 19.196 1.00 0.00 C ATOM 676 CE LYS A 46 -2.422 -2.201 19.928 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.873 -1.921 19.908 1.00 0.00 N ATOM 0 H LYS A 46 -4.157 0.132 15.922 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.443 1.455 17.930 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.334 -0.359 15.810 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.508 0.373 17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.670 -1.742 17.423 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.951 -2.082 17.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.594 -1.117 19.530 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.039 -0.129 19.443 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.230 -3.167 19.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.078 -2.272 20.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.320 -2.346 20.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.028 -0.893 19.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.293 -2.327 19.048 1.00 0.00 H new ATOM 691 N GLN A 47 -1.658 3.096 16.095 1.00 0.00 N ATOM 692 CA GLN A 47 -1.202 4.082 15.124 1.00 0.00 C ATOM 693 C GLN A 47 -0.050 3.480 14.309 1.00 0.00 C ATOM 694 O GLN A 47 1.086 3.961 14.336 1.00 0.00 O ATOM 695 CB GLN A 47 -0.787 5.382 15.840 1.00 0.00 C ATOM 696 CG GLN A 47 -1.935 6.039 16.620 1.00 0.00 C ATOM 697 CD GLN A 47 -1.605 7.476 17.005 1.00 0.00 C ATOM 698 OE1 GLN A 47 -2.055 8.410 16.346 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.812 7.690 18.044 1.00 0.00 N ATOM 0 H GLN A 47 -1.376 3.328 17.047 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.010 4.340 14.439 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.032 5.165 16.526 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.406 6.089 15.103 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.842 6.023 16.015 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.142 5.460 17.520 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.448 6.901 18.579 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.565 8.643 18.309 1.00 0.00 H new ATOM 708 N GLU A 48 -0.334 2.395 13.604 1.00 0.00 N ATOM 709 CA GLU A 48 0.543 1.700 12.685 1.00 0.00 C ATOM 710 C GLU A 48 -0.262 1.414 11.415 1.00 0.00 C ATOM 711 O GLU A 48 -1.480 1.255 11.504 1.00 0.00 O ATOM 712 CB GLU A 48 0.993 0.409 13.385 1.00 0.00 C ATOM 713 CG GLU A 48 1.777 -0.518 12.474 1.00 0.00 C ATOM 714 CD GLU A 48 3.116 0.118 12.093 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.127 1.053 11.267 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.123 -0.239 12.753 1.00 0.00 O ATOM 0 H GLU A 48 -1.249 1.949 13.667 1.00 0.00 H new ATOM 0 HA GLU A 48 1.426 2.277 12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.607 0.666 14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.116 -0.118 13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.949 -1.471 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.199 -0.730 11.575 1.00 0.00 H new ATOM 723 N TYR A 49 0.389 1.317 10.252 1.00 0.00 N ATOM 724 CA TYR A 49 -0.273 0.934 9.008 1.00 0.00 C ATOM 725 C TYR A 49 0.159 -0.468 8.558 1.00 0.00 C ATOM 726 O TYR A 49 1.212 -0.982 8.932 1.00 0.00 O ATOM 727 CB TYR A 49 -0.051 1.989 7.911 1.00 0.00 C ATOM 728 CG TYR A 49 -0.637 3.365 8.158 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.035 3.536 8.168 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.207 4.484 8.317 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.596 4.801 8.406 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.350 5.751 8.566 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.752 5.905 8.638 1.00 0.00 C ATOM 734 OH TYR A 49 -2.287 7.107 8.969 1.00 0.00 O ATOM 0 H TYR A 49 1.387 1.502 10.150 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.346 0.892 9.197 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.023 2.099 7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.468 1.604 6.980 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.680 2.688 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.279 4.368 8.248 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.669 4.927 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.295 6.607 8.702 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.568 7.761 9.096 1.00 0.00 H new ATOM 744 N VAL A 50 -0.647 -1.089 7.704 1.00 0.00 N ATOM 745 CA VAL A 50 -0.520 -2.422 7.141 1.00 0.00 C ATOM 746 C VAL A 50 -0.798 -2.277 5.648 1.00 0.00 C ATOM 747 O VAL A 50 -1.833 -1.752 5.244 1.00 0.00 O ATOM 748 CB VAL A 50 -1.543 -3.370 7.805 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.625 -4.741 7.118 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.280 -3.646 9.281 1.00 0.00 C ATOM 0 H VAL A 50 -1.486 -0.624 7.357 1.00 0.00 H new ATOM 0 HA VAL A 50 0.470 -2.846 7.312 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.478 -2.820 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.360 -5.361 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.923 -4.609 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.650 -5.227 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.045 -4.320 9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.299 -4.107 9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.308 -2.709 9.837 1.00 0.00 H new ATOM 760 N LEU A 51 0.124 -2.720 4.807 1.00 0.00 N ATOM 761 CA LEU A 51 -0.122 -2.930 3.396 1.00 0.00 C ATOM 762 C LEU A 51 -0.905 -4.227 3.270 1.00 0.00 C ATOM 763 O LEU A 51 -0.592 -5.224 3.933 1.00 0.00 O ATOM 764 CB LEU A 51 1.233 -3.036 2.675 1.00 0.00 C ATOM 765 CG LEU A 51 1.206 -2.890 1.143 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.429 -1.666 0.648 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.647 -2.703 0.661 1.00 0.00 C ATOM 0 H LEU A 51 1.077 -2.946 5.094 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.686 -2.111 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.896 -2.271 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.675 -4.002 2.918 1.00 0.00 H new ATOM 0 HG LEU A 51 0.717 -3.784 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.456 -1.634 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.606 -1.732 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.883 -0.760 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.657 -2.597 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.070 -1.808 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.242 -3.571 0.946 1.00 0.00 H new ATOM 779 N SER A 52 -1.913 -4.283 2.409 1.00 0.00 N ATOM 780 CA SER A 52 -2.461 -5.566 2.010 1.00 0.00 C ATOM 781 C SER A 52 -2.717 -5.576 0.514 1.00 0.00 C ATOM 782 O SER A 52 -3.224 -4.594 -0.020 1.00 0.00 O ATOM 783 CB SER A 52 -3.683 -5.906 2.858 1.00 0.00 C ATOM 784 OG SER A 52 -3.317 -5.935 4.231 1.00 0.00 O ATOM 0 H SER A 52 -2.358 -3.471 1.982 1.00 0.00 H new ATOM 0 HA SER A 52 -1.741 -6.362 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.468 -5.167 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.088 -6.873 2.559 1.00 0.00 H new ATOM 0 HG SER A 52 -3.613 -6.780 4.631 1.00 0.00 H new ATOM 790 N VAL A 53 -2.316 -6.665 -0.143 1.00 0.00 N ATOM 791 CA VAL A 53 -2.368 -6.840 -1.592 1.00 0.00 C ATOM 792 C VAL A 53 -2.736 -8.289 -1.921 1.00 0.00 C ATOM 793 O VAL A 53 -2.320 -9.198 -1.201 1.00 0.00 O ATOM 794 CB VAL A 53 -1.023 -6.409 -2.211 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.182 -7.124 -1.580 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.996 -6.597 -3.735 1.00 0.00 C ATOM 0 H VAL A 53 -1.932 -7.478 0.338 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.141 -6.206 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.937 -5.345 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.100 -6.780 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.221 -6.900 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.081 -8.200 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.028 -6.280 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.156 -7.648 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.784 -5.997 -4.190 1.00 0.00 H new ATOM 806 N LEU A 54 -3.527 -8.523 -2.971 1.00 0.00 N ATOM 807 CA LEU A 54 -4.007 -9.843 -3.352 1.00 0.00 C ATOM 808 C LEU A 54 -2.924 -10.415 -4.247 1.00 0.00 C ATOM 809 O LEU A 54 -2.733 -9.930 -5.362 1.00 0.00 O ATOM 810 CB LEU A 54 -5.362 -9.715 -4.075 1.00 0.00 C ATOM 811 CG LEU A 54 -6.250 -10.978 -4.107 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.743 -11.376 -2.720 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.416 -10.772 -5.068 1.00 0.00 C ATOM 0 H LEU A 54 -3.855 -7.781 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.183 -10.499 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.927 -8.913 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.172 -9.406 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.637 -11.805 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.363 -12.269 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.889 -11.581 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.331 -10.562 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.037 -11.668 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.014 -9.922 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.032 -10.579 -6.070 1.00 0.00 H new ATOM 825 N TRP A 55 -2.167 -11.390 -3.751 1.00 0.00 N ATOM 826 CA TRP A 55 -1.143 -12.059 -4.526 1.00 0.00 C ATOM 827 C TRP A 55 -1.455 -13.542 -4.529 1.00 0.00 C ATOM 828 O TRP A 55 -1.544 -14.131 -3.451 1.00 0.00 O ATOM 829 CB TRP A 55 0.227 -11.755 -3.912 1.00 0.00 C ATOM 830 CG TRP A 55 1.342 -11.671 -4.895 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.484 -12.396 -4.904 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.438 -10.734 -5.999 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.298 -11.943 -5.927 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.702 -10.912 -6.629 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.588 -9.727 -6.501 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.111 -10.100 -7.697 1.00 0.00 C ATOM 837 CZ3 TRP A 55 0.976 -8.940 -7.598 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.231 -9.125 -8.192 1.00 0.00 C ATOM 0 H TRP A 55 -2.252 -11.735 -2.795 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.122 -11.708 -5.558 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.166 -10.811 -3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.462 -12.528 -3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.722 -13.199 -4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.221 -12.322 -6.137 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.372 -9.559 -6.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.091 -10.223 -8.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.304 -8.189 -7.985 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.523 -8.515 -9.034 1.00 0.00 H new ATOM 849 N ASP A 56 -1.553 -14.153 -5.711 1.00 0.00 N ATOM 850 CA ASP A 56 -1.732 -15.595 -5.887 1.00 0.00 C ATOM 851 C ASP A 56 -2.899 -16.131 -5.042 1.00 0.00 C ATOM 852 O ASP A 56 -2.803 -17.180 -4.408 1.00 0.00 O ATOM 853 CB ASP A 56 -0.377 -16.294 -5.678 1.00 0.00 C ATOM 854 CG ASP A 56 -0.433 -17.811 -5.844 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.008 -18.310 -6.836 1.00 0.00 O ATOM 856 OD2 ASP A 56 0.161 -18.522 -4.998 1.00 0.00 O ATOM 0 H ASP A 56 -1.509 -13.646 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.040 -15.826 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.344 -15.887 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.009 -16.061 -4.679 1.00 0.00 H new ATOM 861 N GLY A 57 -4.030 -15.421 -5.034 1.00 0.00 N ATOM 862 CA GLY A 57 -5.253 -15.850 -4.360 1.00 0.00 C ATOM 863 C GLY A 57 -5.146 -15.766 -2.841 1.00 0.00 C ATOM 864 O GLY A 57 -5.757 -16.560 -2.122 1.00 0.00 O ATOM 0 H GLY A 57 -4.121 -14.520 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.085 -15.232 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.482 -16.876 -4.648 1.00 0.00 H new ATOM 868 N LEU A 58 -4.333 -14.839 -2.336 1.00 0.00 N ATOM 869 CA LEU A 58 -4.082 -14.688 -0.919 1.00 0.00 C ATOM 870 C LEU A 58 -3.841 -13.198 -0.689 1.00 0.00 C ATOM 871 O LEU A 58 -2.808 -12.685 -1.133 1.00 0.00 O ATOM 872 CB LEU A 58 -2.874 -15.552 -0.524 1.00 0.00 C ATOM 873 CG LEU A 58 -2.641 -15.805 0.975 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.599 -14.542 1.841 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.688 -16.765 1.532 1.00 0.00 C ATOM 0 H LEU A 58 -3.828 -14.167 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.915 -15.023 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.977 -16.519 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.978 -15.082 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.646 -16.247 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.431 -14.820 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.789 -13.895 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.547 -14.011 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.503 -16.929 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.682 -16.337 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.628 -17.716 1.002 1.00 0.00 H new ATOM 887 N PRO A 59 -4.763 -12.485 -0.024 1.00 0.00 N ATOM 888 CA PRO A 59 -4.561 -11.115 0.413 1.00 0.00 C ATOM 889 C PRO A 59 -3.445 -11.132 1.452 1.00 0.00 C ATOM 890 O PRO A 59 -3.647 -11.465 2.616 1.00 0.00 O ATOM 891 CB PRO A 59 -5.907 -10.636 0.953 1.00 0.00 C ATOM 892 CG PRO A 59 -6.542 -11.929 1.443 1.00 0.00 C ATOM 893 CD PRO A 59 -6.005 -13.003 0.516 1.00 0.00 C ATOM 0 HA PRO A 59 -4.252 -10.428 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.787 -9.912 1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.507 -10.156 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.275 -12.132 2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.630 -11.877 1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.836 -13.935 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.716 -13.220 -0.281 1.00 0.00 H new ATOM 901 N ARG A 60 -2.225 -10.865 1.009 1.00 0.00 N ATOM 902 CA ARG A 60 -1.073 -10.792 1.877 1.00 0.00 C ATOM 903 C ARG A 60 -1.304 -9.617 2.814 1.00 0.00 C ATOM 904 O ARG A 60 -1.878 -8.607 2.402 1.00 0.00 O ATOM 905 CB ARG A 60 0.184 -10.556 1.040 1.00 0.00 C ATOM 906 CG ARG A 60 0.343 -11.433 -0.215 1.00 0.00 C ATOM 907 CD ARG A 60 0.612 -12.892 0.166 1.00 0.00 C ATOM 908 NE ARG A 60 0.246 -13.816 -0.918 1.00 0.00 N ATOM 909 CZ ARG A 60 0.772 -15.020 -1.189 1.00 0.00 C ATOM 910 NH1 ARG A 60 1.831 -15.489 -0.547 1.00 0.00 N ATOM 911 NH2 ARG A 60 0.219 -15.769 -2.126 1.00 0.00 N ATOM 0 H ARG A 60 -2.012 -10.692 0.027 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.939 -11.717 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.198 -9.511 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.054 -10.711 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.560 -11.372 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.163 -11.056 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.668 -13.016 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.047 -13.143 1.064 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.499 -13.503 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.275 -14.930 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.203 -16.410 -0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.598 -15.430 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.609 -16.686 -2.342 1.00 0.00 H new ATOM 925 N HIS A 61 -0.790 -9.694 4.033 1.00 0.00 N ATOM 926 CA HIS A 61 -0.829 -8.596 4.985 1.00 0.00 C ATOM 927 C HIS A 61 0.568 -8.387 5.555 1.00 0.00 C ATOM 928 O HIS A 61 1.080 -9.216 6.325 1.00 0.00 O ATOM 929 CB HIS A 61 -1.853 -8.868 6.087 1.00 0.00 C ATOM 930 CG HIS A 61 -3.201 -9.339 5.609 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.201 -8.594 5.022 1.00 0.00 N ATOM 932 CD2 HIS A 61 -3.638 -10.628 5.702 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.254 -9.416 4.837 1.00 0.00 C ATOM 934 NE2 HIS A 61 -4.970 -10.653 5.279 1.00 0.00 N ATOM 0 H HIS A 61 -0.329 -10.530 4.392 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.144 -7.683 4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.443 -9.618 6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.990 -7.955 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.060 -11.475 6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.194 -9.121 4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.602 -11.453 5.301 1.00 0.00 H new ATOM 942 N PHE A 62 1.199 -7.288 5.163 1.00 0.00 N ATOM 943 CA PHE A 62 2.516 -6.893 5.639 1.00 0.00 C ATOM 944 C PHE A 62 2.369 -5.561 6.368 1.00 0.00 C ATOM 945 O PHE A 62 1.592 -4.720 5.930 1.00 0.00 O ATOM 946 CB PHE A 62 3.477 -6.771 4.454 1.00 0.00 C ATOM 947 CG PHE A 62 3.456 -7.900 3.430 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.094 -9.123 3.711 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.831 -7.718 2.179 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.080 -10.170 2.772 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.844 -8.753 1.227 1.00 0.00 C ATOM 952 CZ PHE A 62 3.441 -9.988 1.532 1.00 0.00 C ATOM 0 H PHE A 62 0.800 -6.633 4.491 1.00 0.00 H new ATOM 0 HA PHE A 62 2.925 -7.638 6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.258 -5.838 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.491 -6.688 4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.599 -9.259 4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.342 -6.782 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.558 -11.111 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.393 -8.598 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.409 -10.796 0.816 1.00 0.00 H new ATOM 962 N ILE A 63 3.045 -5.356 7.494 1.00 0.00 N ATOM 963 CA ILE A 63 3.054 -4.058 8.161 1.00 0.00 C ATOM 964 C ILE A 63 3.787 -3.073 7.238 1.00 0.00 C ATOM 965 O ILE A 63 4.719 -3.456 6.513 1.00 0.00 O ATOM 966 CB ILE A 63 3.624 -4.212 9.590 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.555 -4.858 10.509 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.146 -2.905 10.205 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.471 -3.897 11.039 1.00 0.00 C ATOM 0 H ILE A 63 3.595 -6.074 7.965 1.00 0.00 H new ATOM 0 HA ILE A 63 2.058 -3.645 8.320 1.00 0.00 H new ATOM 0 HB ILE A 63 4.496 -4.860 9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.066 -5.663 9.960 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.060 -5.314 11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.528 -3.101 11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.947 -2.505 9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.334 -2.180 10.262 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.774 -4.448 11.670 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.941 -3.105 11.622 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.931 -3.459 10.199 1.00 0.00 H new ATOM 981 N ILE A 64 3.325 -1.823 7.204 1.00 0.00 N ATOM 982 CA ILE A 64 4.015 -0.753 6.512 1.00 0.00 C ATOM 983 C ILE A 64 5.371 -0.506 7.172 1.00 0.00 C ATOM 984 O ILE A 64 5.619 -0.741 8.354 1.00 0.00 O ATOM 985 CB ILE A 64 3.131 0.514 6.441 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.879 0.291 5.573 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.850 1.775 5.936 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.133 0.184 4.076 1.00 0.00 C ATOM 0 H ILE A 64 2.460 -1.531 7.659 1.00 0.00 H new ATOM 0 HA ILE A 64 4.207 -1.043 5.479 1.00 0.00 H new ATOM 0 HB ILE A 64 2.853 0.690 7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.384 -0.621 5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.185 1.113 5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.151 2.611 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.682 2.010 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.228 1.600 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.187 0.028 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.596 1.104 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.798 -0.657 3.879 1.00 0.00 H new ATOM 1000 N GLN A 65 6.267 -0.043 6.320 1.00 0.00 N ATOM 1001 CA GLN A 65 7.644 0.262 6.602 1.00 0.00 C ATOM 1002 C GLN A 65 7.731 1.411 7.601 1.00 0.00 C ATOM 1003 O GLN A 65 6.790 2.179 7.775 1.00 0.00 O ATOM 1004 CB GLN A 65 8.354 0.671 5.292 1.00 0.00 C ATOM 1005 CG GLN A 65 7.936 -0.093 4.016 1.00 0.00 C ATOM 1006 CD GLN A 65 6.568 0.236 3.420 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.623 -0.534 3.560 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.412 1.366 2.759 1.00 0.00 N ATOM 0 H GLN A 65 6.027 0.140 5.346 1.00 0.00 H new ATOM 0 HA GLN A 65 8.126 -0.619 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.179 1.734 5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.427 0.542 5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.690 0.090 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.960 -1.160 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.200 2.003 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.503 1.603 2.362 1.00 0.00 H new ATOM 1017 N SER A 66 8.908 1.587 8.182 1.00 0.00 N ATOM 1018 CA SER A 66 9.251 2.657 9.097 1.00 0.00 C ATOM 1019 C SER A 66 10.700 2.392 9.474 1.00 0.00 C ATOM 1020 O SER A 66 11.080 1.250 9.749 1.00 0.00 O ATOM 1021 CB SER A 66 8.290 2.664 10.302 1.00 0.00 C ATOM 1022 OG SER A 66 8.867 3.138 11.503 1.00 0.00 O ATOM 0 H SER A 66 9.689 0.952 8.017 1.00 0.00 H new ATOM 0 HA SER A 66 9.149 3.651 8.661 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.426 3.282 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.922 1.651 10.464 1.00 0.00 H new ATOM 0 HG SER A 66 8.198 3.114 12.219 1.00 0.00 H new ATOM 1028 N LEU A 67 11.503 3.449 9.447 1.00 0.00 N ATOM 1029 CA LEU A 67 12.875 3.459 9.918 1.00 0.00 C ATOM 1030 C LEU A 67 12.988 4.635 10.869 1.00 0.00 C ATOM 1031 O LEU A 67 12.819 4.450 12.076 1.00 0.00 O ATOM 1032 CB LEU A 67 13.917 3.448 8.780 1.00 0.00 C ATOM 1033 CG LEU A 67 13.609 4.264 7.506 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.917 4.481 6.735 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.619 3.535 6.593 1.00 0.00 C ATOM 0 H LEU A 67 11.202 4.353 9.083 1.00 0.00 H new ATOM 0 HA LEU A 67 13.113 2.535 10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.861 3.810 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.075 2.411 8.482 1.00 0.00 H new ATOM 0 HG LEU A 67 13.163 5.212 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.716 5.057 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.623 5.025 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.343 3.515 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.427 4.141 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.040 2.576 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.684 3.369 7.129 1.00 0.00 H new ATOM 1047 N ASP A 68 13.159 5.851 10.340 1.00 0.00 N ATOM 1048 CA ASP A 68 13.321 7.042 11.167 1.00 0.00 C ATOM 1049 C ASP A 68 12.270 8.090 10.835 1.00 0.00 C ATOM 1050 O ASP A 68 11.422 8.411 11.660 1.00 0.00 O ATOM 1051 CB ASP A 68 14.733 7.598 10.995 1.00 0.00 C ATOM 1052 CG ASP A 68 15.054 8.469 12.200 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.323 7.917 13.291 1.00 0.00 O ATOM 1054 OD2 ASP A 68 14.970 9.713 12.076 1.00 0.00 O ATOM 0 H ASP A 68 13.188 6.032 9.337 1.00 0.00 H new ATOM 0 HA ASP A 68 13.178 6.766 12.212 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.454 6.785 10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.802 8.180 10.076 1.00 0.00 H new ATOM 1059 N ASN A 69 12.293 8.587 9.598 1.00 0.00 N ATOM 1060 CA ASN A 69 11.361 9.573 9.064 1.00 0.00 C ATOM 1061 C ASN A 69 11.082 9.302 7.577 1.00 0.00 C ATOM 1062 O ASN A 69 10.698 10.179 6.799 1.00 0.00 O ATOM 1063 CB ASN A 69 11.948 10.958 9.329 1.00 0.00 C ATOM 1064 CG ASN A 69 11.010 12.075 8.919 1.00 0.00 C ATOM 1065 OD1 ASN A 69 9.800 11.998 9.103 1.00 0.00 O ATOM 1066 ND2 ASN A 69 11.545 13.119 8.328 1.00 0.00 N ATOM 0 H ASN A 69 12.993 8.299 8.914 1.00 0.00 H new ATOM 0 HA ASN A 69 10.391 9.511 9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.180 11.054 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.888 11.060 8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.951 13.886 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.554 13.163 8.185 1.00 0.00 H new ATOM 1073 N LEU A 70 11.339 8.062 7.164 1.00 0.00 N ATOM 1074 CA LEU A 70 11.119 7.532 5.818 1.00 0.00 C ATOM 1075 C LEU A 70 10.387 6.191 5.919 1.00 0.00 C ATOM 1076 O LEU A 70 10.159 5.684 7.020 1.00 0.00 O ATOM 1077 CB LEU A 70 12.450 7.335 5.058 1.00 0.00 C ATOM 1078 CG LEU A 70 13.436 8.522 5.076 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.868 7.991 4.991 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.131 9.506 3.944 1.00 0.00 C ATOM 0 H LEU A 70 11.728 7.361 7.794 1.00 0.00 H new ATOM 0 HA LEU A 70 10.519 8.253 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.956 6.465 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.218 7.100 4.019 1.00 0.00 H new ATOM 0 HG LEU A 70 13.322 9.071 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.567 8.827 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.066 7.340 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.993 7.427 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.840 10.333 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.217 8.995 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.118 9.892 4.060 1.00 0.00 H new ATOM 1092 N TYR A 71 10.106 5.582 4.770 1.00 0.00 N ATOM 1093 CA TYR A 71 9.481 4.275 4.588 1.00 0.00 C ATOM 1094 C TYR A 71 10.298 3.561 3.502 1.00 0.00 C ATOM 1095 O TYR A 71 10.513 4.186 2.466 1.00 0.00 O ATOM 1096 CB TYR A 71 8.033 4.498 4.100 1.00 0.00 C ATOM 1097 CG TYR A 71 7.217 5.477 4.917 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.488 5.038 6.032 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.218 6.841 4.569 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.761 5.957 6.807 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.517 7.772 5.352 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.769 7.327 6.462 1.00 0.00 C ATOM 1103 OH TYR A 71 5.084 8.231 7.210 1.00 0.00 O ATOM 0 H TYR A 71 10.325 6.022 3.876 1.00 0.00 H new ATOM 0 HA TYR A 71 9.458 3.688 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.065 4.849 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.518 3.538 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.486 3.991 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.760 7.173 3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.198 5.617 7.664 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.550 8.823 5.106 1.00 0.00 H new ATOM 0 HH TYR A 71 5.201 9.126 6.829 1.00 0.00 H new ATOM 1113 N ARG A 72 10.758 2.312 3.692 1.00 0.00 N ATOM 1114 CA ARG A 72 11.590 1.558 2.730 1.00 0.00 C ATOM 1115 C ARG A 72 11.204 0.077 2.723 1.00 0.00 C ATOM 1116 O ARG A 72 10.963 -0.470 3.800 1.00 0.00 O ATOM 1117 CB ARG A 72 13.081 1.684 3.107 1.00 0.00 C ATOM 1118 CG ARG A 72 13.456 1.098 4.484 1.00 0.00 C ATOM 1119 CD ARG A 72 14.011 -0.328 4.461 1.00 0.00 C ATOM 1120 NE ARG A 72 15.481 -0.312 4.399 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.337 -1.175 4.963 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.940 -2.310 5.532 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.630 -0.892 4.968 1.00 0.00 N ATOM 0 H ARG A 72 10.558 1.783 4.541 1.00 0.00 H new ATOM 0 HA ARG A 72 11.421 1.977 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.677 1.186 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.357 2.738 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.196 1.750 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.571 1.115 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.685 -0.865 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.611 -0.865 3.601 1.00 0.00 H new ATOM 0 HE ARG A 72 15.899 0.448 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.949 -2.552 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.626 -2.938 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.964 -0.026 4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.292 -1.540 5.394 1.00 0.00 H new ATOM 1137 N LEU A 73 11.127 -0.583 1.565 1.00 0.00 N ATOM 1138 CA LEU A 73 10.669 -1.975 1.492 1.00 0.00 C ATOM 1139 C LEU A 73 11.476 -2.881 0.587 1.00 0.00 C ATOM 1140 O LEU A 73 11.484 -4.095 0.800 1.00 0.00 O ATOM 1141 CB LEU A 73 9.206 -2.027 1.047 1.00 0.00 C ATOM 1142 CG LEU A 73 8.504 -3.325 1.441 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.747 -3.797 2.884 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.030 -3.072 1.147 1.00 0.00 C ATOM 0 H LEU A 73 11.376 -0.176 0.663 1.00 0.00 H new ATOM 0 HA LEU A 73 10.803 -2.356 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.670 -1.184 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.158 -1.909 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 73 8.914 -4.157 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.204 -4.726 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.813 -3.966 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.397 -3.035 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.450 -3.959 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.681 -2.227 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.903 -2.849 0.088 1.00 0.00 H new ATOM 1156 N GLU A 74 12.142 -2.314 -0.409 1.00 0.00 N ATOM 1157 CA GLU A 74 13.100 -3.068 -1.198 1.00 0.00 C ATOM 1158 C GLU A 74 14.484 -2.554 -0.837 1.00 0.00 C ATOM 1159 O GLU A 74 15.271 -3.278 -0.232 1.00 0.00 O ATOM 1160 CB GLU A 74 12.807 -2.960 -2.699 1.00 0.00 C ATOM 1161 CG GLU A 74 13.306 -4.162 -3.510 1.00 0.00 C ATOM 1162 CD GLU A 74 14.683 -4.719 -3.134 1.00 0.00 C ATOM 1163 OE1 GLU A 74 15.705 -4.056 -3.417 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.761 -5.888 -2.681 1.00 0.00 O ATOM 0 H GLU A 74 12.036 -1.338 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 74 13.031 -4.132 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.732 -2.856 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.271 -2.053 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.576 -4.965 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.329 -3.877 -4.562 1.00 0.00 H new ATOM 1171 N GLY A 75 14.764 -1.289 -1.154 1.00 0.00 N ATOM 1172 CA GLY A 75 16.086 -0.710 -1.087 1.00 0.00 C ATOM 1173 C GLY A 75 16.060 0.574 -0.277 1.00 0.00 C ATOM 1174 O GLY A 75 16.131 0.522 0.955 1.00 0.00 O ATOM 0 H GLY A 75 14.052 -0.631 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.778 -1.420 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.452 -0.506 -2.093 1.00 0.00 H new ATOM 1178 N GLU A 76 15.991 1.713 -0.962 1.00 0.00 N ATOM 1179 CA GLU A 76 15.998 3.046 -0.367 1.00 0.00 C ATOM 1180 C GLU A 76 14.615 3.438 0.165 1.00 0.00 C ATOM 1181 O GLU A 76 13.639 2.709 -0.028 1.00 0.00 O ATOM 1182 CB GLU A 76 16.557 4.059 -1.377 1.00 0.00 C ATOM 1183 CG GLU A 76 15.768 4.199 -2.688 1.00 0.00 C ATOM 1184 CD GLU A 76 16.633 4.938 -3.710 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.544 4.296 -4.278 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.493 6.172 -3.864 1.00 0.00 O ATOM 0 H GLU A 76 15.927 1.734 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 76 16.655 3.043 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.603 5.036 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.581 3.775 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.492 3.216 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.841 4.745 -2.514 1.00 0.00 H new ATOM 1193 N GLY A 77 14.537 4.567 0.871 1.00 0.00 N ATOM 1194 CA GLY A 77 13.317 5.053 1.495 1.00 0.00 C ATOM 1195 C GLY A 77 12.764 6.292 0.803 1.00 0.00 C ATOM 1196 O GLY A 77 13.469 6.939 0.027 1.00 0.00 O ATOM 0 H GLY A 77 15.339 5.178 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.565 4.265 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.514 5.283 2.542 1.00 0.00 H new ATOM 1200 N PHE A 78 11.518 6.651 1.131 1.00 0.00 N ATOM 1201 CA PHE A 78 10.872 7.888 0.694 1.00 0.00 C ATOM 1202 C PHE A 78 10.215 8.575 1.891 1.00 0.00 C ATOM 1203 O PHE A 78 9.914 7.904 2.877 1.00 0.00 O ATOM 1204 CB PHE A 78 9.841 7.610 -0.417 1.00 0.00 C ATOM 1205 CG PHE A 78 10.487 7.496 -1.781 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.033 6.271 -2.209 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.628 8.646 -2.586 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.712 6.194 -3.437 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.301 8.564 -3.817 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.847 7.340 -4.239 1.00 0.00 C ATOM 0 H PHE A 78 10.919 6.074 1.722 1.00 0.00 H new ATOM 0 HA PHE A 78 11.629 8.553 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.307 6.687 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.102 8.411 -0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.930 5.390 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.219 9.589 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.130 5.254 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.399 9.442 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.371 7.280 -5.181 1.00 0.00 H new ATOM 1220 N PRO A 79 9.950 9.890 1.806 1.00 0.00 N ATOM 1221 CA PRO A 79 9.405 10.707 2.895 1.00 0.00 C ATOM 1222 C PRO A 79 7.889 10.580 3.095 1.00 0.00 C ATOM 1223 O PRO A 79 7.349 11.151 4.049 1.00 0.00 O ATOM 1224 CB PRO A 79 9.747 12.139 2.476 1.00 0.00 C ATOM 1225 CG PRO A 79 9.648 12.073 0.963 1.00 0.00 C ATOM 1226 CD PRO A 79 10.291 10.737 0.668 1.00 0.00 C ATOM 0 HA PRO A 79 9.828 10.389 3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.049 12.862 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.745 12.430 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.615 12.114 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.177 12.896 0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.914 10.315 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.371 10.835 0.559 1.00 0.00 H new ATOM 1234 N SER A 80 7.180 9.901 2.196 1.00 0.00 N ATOM 1235 CA SER A 80 5.742 9.660 2.258 1.00 0.00 C ATOM 1236 C SER A 80 5.534 8.202 1.882 1.00 0.00 C ATOM 1237 O SER A 80 6.350 7.624 1.158 1.00 0.00 O ATOM 1238 CB SER A 80 4.985 10.624 1.327 1.00 0.00 C ATOM 1239 OG SER A 80 5.308 11.985 1.531 1.00 0.00 O ATOM 0 H SER A 80 7.611 9.487 1.370 1.00 0.00 H new ATOM 0 HA SER A 80 5.344 9.847 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.202 10.360 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.913 10.489 1.473 1.00 0.00 H new ATOM 0 HG SER A 80 4.597 12.549 1.161 1.00 0.00 H new ATOM 1245 N ILE A 81 4.462 7.603 2.393 1.00 0.00 N ATOM 1246 CA ILE A 81 4.004 6.304 1.930 1.00 0.00 C ATOM 1247 C ILE A 81 3.641 6.453 0.444 1.00 0.00 C ATOM 1248 O ILE A 81 4.162 5.671 -0.347 1.00 0.00 O ATOM 1249 CB ILE A 81 2.882 5.745 2.848 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.484 5.414 4.237 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.227 4.484 2.258 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.492 5.146 5.373 1.00 0.00 C ATOM 0 H ILE A 81 3.891 8.005 3.136 1.00 0.00 H new ATOM 0 HA ILE A 81 4.780 5.542 1.999 1.00 0.00 H new ATOM 0 HB ILE A 81 2.107 6.507 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.123 4.538 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.126 6.243 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.449 4.128 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.786 4.722 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.981 3.707 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.039 4.927 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.866 6.026 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.863 4.294 5.114 1.00 0.00 H new ATOM 1264 N PRO A 82 2.836 7.453 0.018 1.00 0.00 N ATOM 1265 CA PRO A 82 2.418 7.556 -1.375 1.00 0.00 C ATOM 1266 C PRO A 82 3.584 7.810 -2.336 1.00 0.00 C ATOM 1267 O PRO A 82 3.544 7.341 -3.471 1.00 0.00 O ATOM 1268 CB PRO A 82 1.369 8.671 -1.431 1.00 0.00 C ATOM 1269 CG PRO A 82 1.599 9.484 -0.169 1.00 0.00 C ATOM 1270 CD PRO A 82 2.152 8.465 0.810 1.00 0.00 C ATOM 0 HA PRO A 82 2.000 6.607 -1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.491 9.284 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.359 8.263 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.301 10.300 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.674 9.931 0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.839 8.936 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.350 8.019 1.399 1.00 0.00 H new ATOM 1278 N LEU A 83 4.640 8.498 -1.888 1.00 0.00 N ATOM 1279 CA LEU A 83 5.812 8.729 -2.725 1.00 0.00 C ATOM 1280 C LEU A 83 6.538 7.410 -2.997 1.00 0.00 C ATOM 1281 O LEU A 83 7.088 7.222 -4.078 1.00 0.00 O ATOM 1282 CB LEU A 83 6.752 9.783 -2.103 1.00 0.00 C ATOM 1283 CG LEU A 83 6.422 11.223 -2.559 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.210 11.861 -1.887 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.613 12.161 -2.332 1.00 0.00 C ATOM 0 H LEU A 83 4.703 8.901 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 83 5.477 9.133 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.685 9.727 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.782 9.549 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 83 6.187 11.105 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.066 12.869 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.323 11.262 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.374 11.909 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.352 13.167 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.864 12.181 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.471 11.804 -2.901 1.00 0.00 H new ATOM 1297 N LEU A 84 6.538 6.488 -2.028 1.00 0.00 N ATOM 1298 CA LEU A 84 7.183 5.192 -2.184 1.00 0.00 C ATOM 1299 C LEU A 84 6.338 4.272 -3.053 1.00 0.00 C ATOM 1300 O LEU A 84 6.893 3.470 -3.799 1.00 0.00 O ATOM 1301 CB LEU A 84 7.363 4.542 -0.799 1.00 0.00 C ATOM 1302 CG LEU A 84 8.641 3.708 -0.577 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.395 2.729 0.575 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.149 2.898 -1.767 1.00 0.00 C ATOM 0 H LEU A 84 6.092 6.624 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 84 8.151 5.342 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.340 5.332 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.503 3.899 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 84 9.414 4.449 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.291 2.132 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.155 3.286 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.563 2.071 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.051 2.358 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.383 2.187 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.376 3.570 -2.594 1.00 0.00 H new ATOM 1316 N ILE A 85 5.005 4.383 -2.966 1.00 0.00 N ATOM 1317 CA ILE A 85 4.102 3.607 -3.803 1.00 0.00 C ATOM 1318 C ILE A 85 4.519 3.752 -5.259 1.00 0.00 C ATOM 1319 O ILE A 85 4.617 2.734 -5.931 1.00 0.00 O ATOM 1320 CB ILE A 85 2.620 3.988 -3.568 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.118 3.575 -2.167 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.689 3.441 -4.666 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.179 2.086 -1.821 1.00 0.00 C ATOM 0 H ILE A 85 4.533 5.011 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 85 4.177 2.555 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 85 2.585 5.076 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.700 4.120 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.084 3.905 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.662 3.737 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.990 3.845 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.756 2.353 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.798 1.931 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.571 1.523 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.212 1.742 -1.876 1.00 0.00 H new ATOM 1335 N ASP A 86 4.755 4.966 -5.761 1.00 0.00 N ATOM 1336 CA ASP A 86 5.034 5.141 -7.192 1.00 0.00 C ATOM 1337 C ASP A 86 6.331 4.433 -7.559 1.00 0.00 C ATOM 1338 O ASP A 86 6.409 3.759 -8.585 1.00 0.00 O ATOM 1339 CB ASP A 86 5.116 6.627 -7.542 1.00 0.00 C ATOM 1340 CG ASP A 86 5.033 6.906 -9.047 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.946 6.705 -9.646 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.984 7.479 -9.619 1.00 0.00 O ATOM 0 H ASP A 86 4.759 5.827 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 86 4.220 4.700 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.308 7.156 -7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.052 7.032 -7.156 1.00 0.00 H new ATOM 1347 N HIS A 87 7.321 4.536 -6.673 1.00 0.00 N ATOM 1348 CA HIS A 87 8.637 3.953 -6.847 1.00 0.00 C ATOM 1349 C HIS A 87 8.645 2.437 -6.648 1.00 0.00 C ATOM 1350 O HIS A 87 9.673 1.822 -6.933 1.00 0.00 O ATOM 1351 CB HIS A 87 9.654 4.627 -5.916 1.00 0.00 C ATOM 1352 CG HIS A 87 10.965 4.941 -6.590 1.00 0.00 C ATOM 1353 ND1 HIS A 87 12.139 4.230 -6.513 1.00 0.00 N ATOM 1354 CD2 HIS A 87 11.204 6.049 -7.350 1.00 0.00 C ATOM 1355 CE1 HIS A 87 13.067 4.892 -7.225 1.00 0.00 C ATOM 1356 NE2 HIS A 87 12.545 6.014 -7.753 1.00 0.00 N ATOM 0 H HIS A 87 7.220 5.042 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 87 8.927 4.134 -7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.224 5.550 -5.527 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.840 3.977 -5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 87 10.486 6.817 -7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.089 4.568 -7.355 1.00 0.00 H new ATOM 0 HE2 HIS A 87 13.029 6.701 -8.331 1.00 0.00 H new ATOM 1364 N LEU A 88 7.546 1.792 -6.235 1.00 0.00 N ATOM 1365 CA LEU A 88 7.357 0.351 -6.359 1.00 0.00 C ATOM 1366 C LEU A 88 6.425 -0.006 -7.507 1.00 0.00 C ATOM 1367 O LEU A 88 6.621 -1.040 -8.143 1.00 0.00 O ATOM 1368 CB LEU A 88 6.768 -0.186 -5.067 1.00 0.00 C ATOM 1369 CG LEU A 88 7.714 -0.096 -3.856 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.792 -1.478 -3.204 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.182 0.329 -4.037 1.00 0.00 C ATOM 0 H LEU A 88 6.756 2.268 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 88 8.330 -0.095 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.854 0.364 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.485 -1.228 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 88 7.253 0.714 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.458 -1.437 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.797 -1.784 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.176 -2.199 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.682 0.331 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.684 -0.372 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.221 1.330 -4.468 1.00 0.00 H new ATOM 1383 N LEU A 89 5.402 0.809 -7.768 1.00 0.00 N ATOM 1384 CA LEU A 89 4.388 0.512 -8.773 1.00 0.00 C ATOM 1385 C LEU A 89 5.017 0.534 -10.147 1.00 0.00 C ATOM 1386 O LEU A 89 4.759 -0.332 -10.975 1.00 0.00 O ATOM 1387 CB LEU A 89 3.213 1.508 -8.698 1.00 0.00 C ATOM 1388 CG LEU A 89 1.865 0.782 -8.807 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.839 1.435 -7.887 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.275 0.683 -10.195 1.00 0.00 C ATOM 0 H LEU A 89 5.256 1.696 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 89 3.986 -0.482 -8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.258 2.058 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.301 2.240 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 89 2.092 -0.241 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.113 0.911 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.189 1.383 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.706 2.478 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.325 0.151 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.112 1.684 -10.593 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.963 0.142 -10.845 1.00 0.00 H new ATOM 1402 N SER A 90 5.845 1.542 -10.381 1.00 0.00 N ATOM 1403 CA SER A 90 6.393 1.803 -11.687 1.00 0.00 C ATOM 1404 C SER A 90 7.599 0.886 -11.941 1.00 0.00 C ATOM 1405 O SER A 90 8.024 0.737 -13.086 1.00 0.00 O ATOM 1406 CB SER A 90 6.782 3.293 -11.731 1.00 0.00 C ATOM 1407 OG SER A 90 7.417 3.702 -12.928 1.00 0.00 O ATOM 0 H SER A 90 6.151 2.199 -9.663 1.00 0.00 H new ATOM 0 HA SER A 90 5.668 1.594 -12.474 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.884 3.894 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.445 3.507 -10.892 1.00 0.00 H new ATOM 0 HG SER A 90 7.629 4.657 -12.876 1.00 0.00 H new ATOM 1413 N THR A 91 8.169 0.301 -10.886 1.00 0.00 N ATOM 1414 CA THR A 91 9.464 -0.375 -10.910 1.00 0.00 C ATOM 1415 C THR A 91 9.280 -1.881 -10.745 1.00 0.00 C ATOM 1416 O THR A 91 10.148 -2.667 -11.130 1.00 0.00 O ATOM 1417 CB THR A 91 10.342 0.186 -9.786 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.780 -0.194 -8.550 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.446 1.716 -9.813 1.00 0.00 C ATOM 0 H THR A 91 7.729 0.285 -9.966 1.00 0.00 H new ATOM 0 HA THR A 91 9.950 -0.198 -11.870 1.00 0.00 H new ATOM 0 HB THR A 91 11.346 -0.216 -9.926 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.083 0.421 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.081 2.052 -8.993 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.879 2.035 -10.761 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.452 2.150 -9.704 1.00 0.00 H new ATOM 1427 N GLN A 92 8.107 -2.270 -10.230 1.00 0.00 N ATOM 1428 CA GLN A 92 7.705 -3.646 -9.992 1.00 0.00 C ATOM 1429 C GLN A 92 8.684 -4.299 -9.012 1.00 0.00 C ATOM 1430 O GLN A 92 9.286 -5.342 -9.287 1.00 0.00 O ATOM 1431 CB GLN A 92 7.542 -4.395 -11.330 1.00 0.00 C ATOM 1432 CG GLN A 92 6.518 -3.742 -12.275 1.00 0.00 C ATOM 1433 CD GLN A 92 5.104 -4.020 -11.797 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.555 -5.072 -12.111 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.538 -3.120 -11.012 1.00 0.00 N ATOM 0 H GLN A 92 7.388 -1.600 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 92 6.724 -3.688 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.509 -4.443 -11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.236 -5.422 -11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.689 -2.666 -12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.649 -4.127 -13.286 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.036 -2.260 -10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.603 -3.285 -10.638 1.00 0.00 H new ATOM 1444 N GLN A 93 8.867 -3.657 -7.858 1.00 0.00 N ATOM 1445 CA GLN A 93 9.758 -4.136 -6.810 1.00 0.00 C ATOM 1446 C GLN A 93 9.017 -4.997 -5.791 1.00 0.00 C ATOM 1447 O GLN A 93 7.868 -4.700 -5.478 1.00 0.00 O ATOM 1448 CB GLN A 93 10.414 -2.948 -6.112 1.00 0.00 C ATOM 1449 CG GLN A 93 11.748 -2.659 -6.791 1.00 0.00 C ATOM 1450 CD GLN A 93 12.283 -1.314 -6.342 1.00 0.00 C ATOM 1451 OE1 GLN A 93 12.272 -0.959 -5.165 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.710 -0.494 -7.272 1.00 0.00 N ATOM 0 H GLN A 93 8.395 -2.783 -7.626 1.00 0.00 H new ATOM 0 HA GLN A 93 10.523 -4.758 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.766 -2.073 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.567 -3.168 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.465 -3.443 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.622 -2.666 -7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.719 -0.790 -8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.034 0.440 -7.019 1.00 0.00 H new ATOM 1461 N PRO A 94 9.658 -6.028 -5.228 1.00 0.00 N ATOM 1462 CA PRO A 94 9.029 -6.943 -4.282 1.00 0.00 C ATOM 1463 C PRO A 94 8.836 -6.328 -2.898 1.00 0.00 C ATOM 1464 O PRO A 94 9.716 -5.663 -2.351 1.00 0.00 O ATOM 1465 CB PRO A 94 9.980 -8.144 -4.238 1.00 0.00 C ATOM 1466 CG PRO A 94 11.352 -7.531 -4.527 1.00 0.00 C ATOM 1467 CD PRO A 94 11.017 -6.444 -5.547 1.00 0.00 C ATOM 0 HA PRO A 94 8.020 -7.212 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.958 -8.637 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.712 -8.894 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.810 -7.118 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.049 -8.266 -4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.712 -5.608 -5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.083 -6.826 -6.566 1.00 0.00 H new ATOM 1475 N LEU A 95 7.696 -6.654 -2.287 1.00 0.00 N ATOM 1476 CA LEU A 95 7.289 -6.153 -0.982 1.00 0.00 C ATOM 1477 C LEU A 95 7.980 -6.839 0.192 1.00 0.00 C ATOM 1478 O LEU A 95 7.965 -6.304 1.294 1.00 0.00 O ATOM 1479 CB LEU A 95 5.789 -6.331 -0.766 1.00 0.00 C ATOM 1480 CG LEU A 95 4.836 -5.551 -1.677 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.439 -5.593 -1.057 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.283 -4.116 -1.924 1.00 0.00 C ATOM 0 H LEU A 95 7.015 -7.291 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 95 7.578 -5.102 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.559 -7.391 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.565 -6.057 0.265 1.00 0.00 H new ATOM 0 HG LEU A 95 4.834 -6.026 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.743 -5.043 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.110 -6.629 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.466 -5.138 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.565 -3.619 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.340 -3.584 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.264 -4.117 -2.398 1.00 0.00 H new ATOM 1494 N THR A 96 8.550 -8.019 0.004 1.00 0.00 N ATOM 1495 CA THR A 96 9.508 -8.598 0.940 1.00 0.00 C ATOM 1496 C THR A 96 10.157 -9.772 0.219 1.00 0.00 C ATOM 1497 O THR A 96 9.544 -10.381 -0.672 1.00 0.00 O ATOM 1498 CB THR A 96 8.846 -8.983 2.294 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.712 -9.698 3.156 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.556 -9.792 2.168 1.00 0.00 C ATOM 0 H THR A 96 8.361 -8.608 -0.807 1.00 0.00 H new ATOM 0 HA THR A 96 10.272 -7.874 1.225 1.00 0.00 H new ATOM 0 HB THR A 96 8.607 -8.009 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.242 -9.910 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.167 -10.014 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.818 -9.216 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.761 -10.724 1.642 1.00 0.00 H new ATOM 1508 N LYS A 97 11.352 -10.160 0.672 1.00 0.00 N ATOM 1509 CA LYS A 97 12.018 -11.380 0.236 1.00 0.00 C ATOM 1510 C LYS A 97 11.111 -12.590 0.376 1.00 0.00 C ATOM 1511 O LYS A 97 11.226 -13.522 -0.417 1.00 0.00 O ATOM 1512 CB LYS A 97 13.296 -11.601 1.067 1.00 0.00 C ATOM 1513 CG LYS A 97 14.381 -12.399 0.326 1.00 0.00 C ATOM 1514 CD LYS A 97 15.338 -11.495 -0.460 1.00 0.00 C ATOM 1515 CE LYS A 97 14.737 -10.800 -1.688 1.00 0.00 C ATOM 1516 NZ LYS A 97 14.675 -11.697 -2.857 1.00 0.00 N ATOM 0 H LYS A 97 11.886 -9.627 1.359 1.00 0.00 H new ATOM 0 HA LYS A 97 12.272 -11.264 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.703 -10.632 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.035 -12.125 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.950 -12.988 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.907 -13.103 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.723 -10.731 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.190 -12.093 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.734 -10.446 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.334 -9.922 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.263 -11.187 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.634 -12.015 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.084 -12.522 -2.630 1.00 0.00 H new ATOM 1530 N LYS A 98 10.220 -12.602 1.371 1.00 0.00 N ATOM 1531 CA LYS A 98 9.392 -13.775 1.623 1.00 0.00 C ATOM 1532 C LYS A 98 8.429 -14.076 0.477 1.00 0.00 C ATOM 1533 O LYS A 98 8.157 -15.250 0.232 1.00 0.00 O ATOM 1534 CB LYS A 98 8.663 -13.614 2.966 1.00 0.00 C ATOM 1535 CG LYS A 98 9.474 -14.140 4.163 1.00 0.00 C ATOM 1536 CD LYS A 98 9.624 -15.674 4.177 1.00 0.00 C ATOM 1537 CE LYS A 98 11.008 -16.132 3.704 1.00 0.00 C ATOM 1538 NZ LYS A 98 11.128 -17.604 3.638 1.00 0.00 N ATOM 0 H LYS A 98 10.057 -11.821 2.006 1.00 0.00 H new ATOM 0 HA LYS A 98 10.047 -14.644 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.436 -12.560 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.711 -14.142 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.465 -13.686 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.991 -13.822 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.448 -16.044 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.860 -16.117 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.209 -15.710 2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.767 -15.739 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.082 -17.860 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.964 -18.008 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.423 -17.980 2.973 1.00 0.00 H new ATOM 1552 N SER A 99 7.918 -13.069 -0.233 1.00 0.00 N ATOM 1553 CA SER A 99 6.741 -13.245 -1.082 1.00 0.00 C ATOM 1554 C SER A 99 6.859 -12.588 -2.458 1.00 0.00 C ATOM 1555 O SER A 99 6.035 -12.883 -3.326 1.00 0.00 O ATOM 1556 CB SER A 99 5.521 -12.745 -0.305 1.00 0.00 C ATOM 1557 OG SER A 99 5.806 -11.465 0.223 1.00 0.00 O ATOM 0 H SER A 99 8.301 -12.124 -0.236 1.00 0.00 H new ATOM 0 HA SER A 99 6.638 -14.306 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.651 -12.697 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.277 -13.439 0.500 1.00 0.00 H new ATOM 0 HG SER A 99 5.106 -11.210 0.859 1.00 0.00 H new ATOM 1563 N GLY A 100 7.878 -11.757 -2.710 1.00 0.00 N ATOM 1564 CA GLY A 100 8.209 -11.303 -4.059 1.00 0.00 C ATOM 1565 C GLY A 100 7.145 -10.419 -4.713 1.00 0.00 C ATOM 1566 O GLY A 100 7.160 -10.249 -5.929 1.00 0.00 O ATOM 0 H GLY A 100 8.491 -11.384 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.148 -10.751 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.376 -12.175 -4.691 1.00 0.00 H new ATOM 1570 N VAL A 101 6.189 -9.897 -3.949 1.00 0.00 N ATOM 1571 CA VAL A 101 4.965 -9.315 -4.470 1.00 0.00 C ATOM 1572 C VAL A 101 5.152 -7.895 -4.991 1.00 0.00 C ATOM 1573 O VAL A 101 5.851 -7.135 -4.338 1.00 0.00 O ATOM 1574 CB VAL A 101 3.873 -9.522 -3.407 1.00 0.00 C ATOM 1575 CG1 VAL A 101 4.117 -9.522 -1.902 1.00 0.00 C ATOM 1576 CG2 VAL A 101 2.616 -8.701 -3.624 1.00 0.00 C ATOM 0 H VAL A 101 6.249 -9.868 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 101 4.638 -9.823 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 101 3.808 -10.583 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.175 -9.690 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.819 -10.316 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.532 -8.560 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.902 -8.911 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.868 -7.641 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.173 -8.961 -4.586 1.00 0.00 H new ATOM 1586 N VAL A 102 4.559 -7.519 -6.132 1.00 0.00 N ATOM 1587 CA VAL A 102 4.770 -6.202 -6.746 1.00 0.00 C ATOM 1588 C VAL A 102 3.441 -5.433 -6.821 1.00 0.00 C ATOM 1589 O VAL A 102 2.381 -6.050 -6.961 1.00 0.00 O ATOM 1590 CB VAL A 102 5.532 -6.315 -8.086 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.827 -7.131 -7.935 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.747 -6.922 -9.250 1.00 0.00 C ATOM 0 H VAL A 102 3.920 -8.119 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 102 5.426 -5.604 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 102 5.732 -5.273 -8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.335 -7.189 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.480 -6.647 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.585 -8.137 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.378 -6.952 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.436 -7.934 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.866 -6.313 -9.452 1.00 0.00 H new ATOM 1602 N LEU A 103 3.448 -4.109 -6.614 1.00 0.00 N ATOM 1603 CA LEU A 103 2.245 -3.276 -6.656 1.00 0.00 C ATOM 1604 C LEU A 103 1.737 -3.259 -8.100 1.00 0.00 C ATOM 1605 O LEU A 103 2.555 -3.172 -9.013 1.00 0.00 O ATOM 1606 CB LEU A 103 2.533 -1.825 -6.236 1.00 0.00 C ATOM 1607 CG LEU A 103 3.050 -1.526 -4.821 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.024 -0.020 -4.612 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.233 -2.139 -3.682 1.00 0.00 C ATOM 0 H LEU A 103 4.299 -3.584 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 103 1.514 -3.692 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.261 -1.422 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.611 -1.259 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 103 4.045 -1.969 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.388 0.215 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.663 0.461 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.003 0.345 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.681 -1.868 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.211 -1.762 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.224 -3.224 -3.784 1.00 0.00 H new ATOM 1621 N HIS A 104 0.421 -3.289 -8.327 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.103 -3.413 -9.691 1.00 0.00 C ATOM 1623 C HIS A 104 -1.437 -2.713 -9.917 1.00 0.00 C ATOM 1624 O HIS A 104 -1.650 -2.144 -10.990 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.255 -4.901 -10.038 1.00 0.00 C ATOM 1626 CG HIS A 104 0.609 -5.396 -11.165 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.158 -4.642 -12.174 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.905 -6.706 -11.425 1.00 0.00 C ATOM 1629 CE1 HIS A 104 1.783 -5.474 -13.013 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.660 -6.751 -12.605 1.00 0.00 N ATOM 0 H HIS A 104 -0.291 -3.230 -7.599 1.00 0.00 H new ATOM 0 HA HIS A 104 0.618 -2.917 -10.340 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.031 -5.488 -9.147 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.298 -5.092 -10.292 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.609 -7.555 -10.827 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.316 -5.163 -13.900 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.039 -7.581 -13.061 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.352 -2.747 -8.949 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.637 -2.056 -9.053 1.00 0.00 C ATOM 1640 C ARG A 105 -3.979 -1.424 -7.707 1.00 0.00 C ATOM 1641 O ARG A 105 -3.611 -1.965 -6.674 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.730 -3.037 -9.514 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.960 -2.317 -10.092 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.829 -2.143 -11.609 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.934 -1.346 -12.156 1.00 0.00 N ATOM 1646 CZ ARG A 105 -8.177 -1.771 -12.411 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -8.540 -3.033 -12.186 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -9.059 -0.909 -12.905 1.00 0.00 N ATOM 0 H ARG A 105 -2.224 -3.253 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.574 -1.263 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.318 -3.708 -10.268 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.038 -3.656 -8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.861 -2.887 -9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.071 -1.342 -9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.880 -1.659 -11.840 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.813 -3.122 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.734 -0.368 -12.363 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.864 -3.699 -11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.494 -3.333 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.784 0.057 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.012 -1.213 -13.106 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.678 -0.294 -7.691 1.00 0.00 N ATOM 1663 CA ALA A 106 -5.055 0.390 -6.464 1.00 0.00 C ATOM 1664 C ALA A 106 -6.576 0.459 -6.378 1.00 0.00 C ATOM 1665 O ALA A 106 -7.239 0.758 -7.373 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.418 1.777 -6.468 1.00 0.00 C ATOM 0 H ALA A 106 -5.000 0.175 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.698 -0.148 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.690 2.305 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.334 1.679 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.774 2.339 -7.331 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.128 0.178 -5.200 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.565 0.230 -4.952 1.00 0.00 C ATOM 1674 C VAL A 107 -8.950 1.682 -4.639 1.00 0.00 C ATOM 1675 O VAL A 107 -8.379 2.267 -3.726 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.923 -0.690 -3.771 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.445 -0.801 -3.633 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.339 -2.104 -3.900 1.00 0.00 C ATOM 0 H VAL A 107 -6.583 -0.095 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.114 -0.113 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.481 -0.230 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.688 -1.454 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.867 0.188 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.864 -1.216 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.630 -2.698 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.720 -2.574 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.252 -2.045 -3.951 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.915 2.284 -5.344 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.400 3.620 -5.046 1.00 0.00 C ATOM 1690 C PRO A 108 -11.431 3.658 -3.905 1.00 0.00 C ATOM 1691 O PRO A 108 -12.598 3.303 -4.066 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.989 4.103 -6.360 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.541 2.810 -6.983 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.636 1.706 -6.460 1.00 0.00 C ATOM 0 HA PRO A 108 -9.597 4.260 -4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.774 4.843 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.234 4.568 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.578 2.642 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.520 2.856 -8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.218 0.840 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.949 1.363 -7.234 1.00 0.00 H new ATOM 1702 N SER A 109 -11.014 4.193 -2.763 1.00 0.00 N ATOM 1703 CA SER A 109 -11.864 4.465 -1.606 1.00 0.00 C ATOM 1704 C SER A 109 -12.490 5.873 -1.655 1.00 0.00 C ATOM 1705 O SER A 109 -13.178 6.277 -0.712 1.00 0.00 O ATOM 1706 CB SER A 109 -11.016 4.266 -0.346 1.00 0.00 C ATOM 1707 OG SER A 109 -11.804 4.197 0.831 1.00 0.00 O ATOM 0 H SER A 109 -10.041 4.459 -2.610 1.00 0.00 H new ATOM 0 HA SER A 109 -12.707 3.774 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.434 3.350 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.305 5.087 -0.256 1.00 0.00 H new ATOM 0 HG SER A 109 -12.490 4.896 0.807 1.00 0.00 H new ATOM 1713 N GLY A 110 -12.250 6.656 -2.712 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.637 8.054 -2.770 1.00 0.00 C ATOM 1715 C GLY A 110 -11.627 8.939 -2.029 1.00 0.00 C ATOM 1716 O GLY A 110 -10.550 8.469 -1.656 1.00 0.00 O ATOM 0 H GLY A 110 -11.777 6.327 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.709 8.372 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.626 8.179 -2.330 1.00 0.00 H new