USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 10 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-1.9) USER MOD Set 1.2: A 109 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 1.3: A 113 SER OG : rot -62:sc= 0 USER MOD Set 2.1: A 85 HIS : no HD1:sc= -0.0191 X(o=-2.4,f=-2.4) USER MOD Set 2.2: A 107 MET CE :methyl 180:sc= -2.36! (180deg=-2.36!) USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0.656 USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= 0.738 F(o=0,f=1.4) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.345) USER MOD Single : A 18 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 157:sc= -10.4! (180deg=-14.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.0981 (180deg=0.0204) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.667 (180deg=-1.99) USER MOD Single : A 53 TYR OH : rot 128:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -119:sc= -2.04 USER MOD Single : A 66 SER OG : rot 180:sc= -0.461 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0757) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -134:sc= -0.297 (180deg=-1.8!) USER MOD Single : A 93 ASN : amide:sc= -6.65! C(o=-6.7!,f=-6.8!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.107 F(o=-0.74,f=-0.11) USER MOD Single : A 102 HIS : no HE2:sc= -1.8! K(o=-1.8!,f=-2.7) USER MOD Single : A 105 THR OG1 : rot 180:sc=0.000237 USER MOD Single : A 108 SER OG : rot -69:sc= 0.447 USER MOD Single : A 112 THR OG1 : rot -84:sc= 0.155 USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= -0.286 (180deg=-1.78!) USER MOD Single : A 117 GLN : amide:sc= -2.62 K(o=-2.6,f=-5.3!) USER MOD Single : A 118 SER OG : rot -155:sc= -3.29! USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 0.821 0.147 -14.688 1.00 0.00 N ATOM 89 CA HIS A 10 2.265 0.297 -14.891 1.00 0.00 C ATOM 90 C HIS A 10 3.013 -0.787 -14.149 1.00 0.00 C ATOM 91 O HIS A 10 2.523 -1.408 -13.192 1.00 0.00 O ATOM 92 CB HIS A 10 2.694 1.683 -14.375 1.00 0.00 C ATOM 93 CG HIS A 10 3.575 2.400 -15.367 1.00 0.00 C ATOM 94 ND1 HIS A 10 4.725 1.871 -15.948 1.00 0.00 N ATOM 95 CD2 HIS A 10 3.324 3.687 -15.817 1.00 0.00 C ATOM 96 CE1 HIS A 10 5.086 2.908 -16.728 1.00 0.00 C ATOM 97 NE2 HIS A 10 4.309 4.025 -16.708 1.00 0.00 N ATOM 0 HA HIS A 10 2.498 0.208 -15.952 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.809 2.286 -14.172 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.226 1.571 -13.430 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.497 4.314 -15.518 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.966 2.855 -17.351 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.429 4.895 -17.226 1.00 0.00 H new ATOM 105 N GLU A 11 4.227 -1.059 -14.597 1.00 0.00 N ATOM 106 CA GLU A 11 5.008 -2.177 -14.076 1.00 0.00 C ATOM 107 C GLU A 11 6.488 -1.874 -14.097 1.00 0.00 C ATOM 108 O GLU A 11 7.095 -1.654 -15.151 1.00 0.00 O ATOM 109 CB GLU A 11 4.678 -3.437 -14.925 1.00 0.00 C ATOM 110 CG GLU A 11 4.623 -3.260 -16.479 1.00 0.00 C ATOM 111 CD GLU A 11 5.911 -3.442 -17.284 1.00 0.00 C ATOM 112 OE1 GLU A 11 6.588 -4.585 -16.984 1.00 0.00 O ATOM 113 OE2 GLU A 11 6.294 -2.634 -18.120 1.00 0.00 O ATOM 0 H GLU A 11 4.698 -0.520 -15.324 1.00 0.00 H new ATOM 0 HA GLU A 11 4.744 -2.354 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.422 -4.201 -14.698 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.714 -3.823 -14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.888 -3.966 -16.866 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.243 -2.259 -16.685 1.00 0.00 H new ATOM 120 N GLY A 12 7.095 -1.881 -12.924 1.00 0.00 N ATOM 121 CA GLY A 12 8.533 -1.677 -12.779 1.00 0.00 C ATOM 122 C GLY A 12 9.027 -2.214 -11.457 1.00 0.00 C ATOM 123 O GLY A 12 8.244 -2.686 -10.616 1.00 0.00 O ATOM 0 H GLY A 12 6.607 -2.028 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.058 -2.173 -13.596 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.762 -0.614 -12.852 1.00 0.00 H new ATOM 127 N TYR A 13 10.328 -2.169 -11.239 1.00 0.00 N ATOM 128 CA TYR A 13 10.898 -2.530 -9.941 1.00 0.00 C ATOM 129 C TYR A 13 11.147 -1.299 -9.103 1.00 0.00 C ATOM 130 O TYR A 13 12.025 -0.477 -9.400 1.00 0.00 O ATOM 131 CB TYR A 13 12.254 -3.280 -10.101 1.00 0.00 C ATOM 132 CG TYR A 13 12.989 -3.126 -11.436 1.00 0.00 C ATOM 133 CD1 TYR A 13 13.497 -1.886 -11.834 1.00 0.00 C ATOM 134 CD2 TYR A 13 13.164 -4.240 -12.265 1.00 0.00 C ATOM 135 CE1 TYR A 13 14.187 -1.767 -13.038 1.00 0.00 C ATOM 136 CE2 TYR A 13 13.879 -4.124 -13.453 1.00 0.00 C ATOM 137 CZ TYR A 13 14.361 -2.881 -13.855 1.00 0.00 C ATOM 138 OH TYR A 13 15.006 -2.752 -15.052 1.00 0.00 O ATOM 0 H TYR A 13 11.015 -1.887 -11.939 1.00 0.00 H new ATOM 0 HA TYR A 13 10.173 -3.182 -9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 13 12.921 -2.943 -9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.073 -4.342 -9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.354 -1.019 -11.207 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.743 -5.193 -11.982 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.587 -0.810 -13.338 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.060 -4.997 -14.063 1.00 0.00 H new ATOM 0 HH TYR A 13 15.044 -3.624 -15.499 1.00 0.00 H new ATOM 148 N VAL A 14 10.367 -1.131 -8.051 1.00 0.00 N ATOM 149 CA VAL A 14 10.418 0.090 -7.248 1.00 0.00 C ATOM 150 C VAL A 14 10.117 -0.194 -5.797 1.00 0.00 C ATOM 151 O VAL A 14 9.961 -1.343 -5.373 1.00 0.00 O ATOM 152 CB VAL A 14 9.407 1.160 -7.821 1.00 0.00 C ATOM 153 CG1 VAL A 14 9.685 1.666 -9.262 1.00 0.00 C ATOM 154 CG2 VAL A 14 7.933 0.687 -7.833 1.00 0.00 C ATOM 0 H VAL A 14 9.689 -1.821 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 14 11.430 0.490 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 14 9.571 1.972 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.926 2.395 -9.544 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.669 2.133 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.656 0.825 -9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.301 1.476 -8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.842 -0.206 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.616 0.457 -6.816 1.00 0.00 H new ATOM 164 N THR A 15 10.005 0.870 -5.016 1.00 0.00 N ATOM 165 CA THR A 15 9.632 0.738 -3.609 1.00 0.00 C ATOM 166 C THR A 15 8.155 0.992 -3.406 1.00 0.00 C ATOM 167 O THR A 15 7.702 2.118 -3.176 1.00 0.00 O ATOM 168 CB THR A 15 10.484 1.703 -2.718 1.00 0.00 C ATOM 169 OG1 THR A 15 11.858 1.628 -3.077 1.00 0.00 O ATOM 170 CG2 THR A 15 10.466 1.426 -1.199 1.00 0.00 C ATOM 0 H THR A 15 10.165 1.829 -5.326 1.00 0.00 H new ATOM 0 HA THR A 15 9.840 -0.288 -3.305 1.00 0.00 H new ATOM 0 HB THR A 15 10.016 2.670 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.377 2.238 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.091 2.158 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.444 1.500 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.850 0.424 -1.007 1.00 0.00 H new ATOM 178 N ARG A 16 7.380 -0.074 -3.469 1.00 0.00 N ATOM 179 CA ARG A 16 5.933 -0.024 -3.289 1.00 0.00 C ATOM 180 C ARG A 16 5.568 0.046 -1.823 1.00 0.00 C ATOM 181 O ARG A 16 6.408 0.141 -0.922 1.00 0.00 O ATOM 182 CB ARG A 16 5.300 -1.277 -3.953 1.00 0.00 C ATOM 183 CG ARG A 16 4.740 -1.068 -5.383 1.00 0.00 C ATOM 184 CD ARG A 16 3.489 -0.180 -5.407 1.00 0.00 C ATOM 185 NE ARG A 16 3.339 0.372 -6.777 1.00 0.00 N ATOM 186 CZ ARG A 16 4.229 1.133 -7.399 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.359 1.518 -6.884 1.00 0.00 N ATOM 188 NH2 ARG A 16 3.947 1.517 -8.595 1.00 0.00 N ATOM 0 H ARG A 16 7.737 -1.012 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 16 5.544 0.877 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.052 -2.066 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.492 -1.635 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.511 -0.618 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.500 -2.037 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.607 -0.758 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.581 0.627 -4.680 1.00 0.00 H new ATOM 0 HE ARG A 16 2.481 0.147 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.611 1.234 -5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.993 2.104 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.067 1.235 -9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.603 2.104 -9.110 1.00 0.00 H new ATOM 202 N LYS A 17 4.274 -0.027 -1.563 1.00 0.00 N ATOM 203 CA LYS A 17 3.724 -0.142 -0.217 1.00 0.00 C ATOM 204 C LYS A 17 2.452 -0.966 -0.253 1.00 0.00 C ATOM 205 O LYS A 17 1.425 -0.644 0.349 1.00 0.00 O ATOM 206 CB LYS A 17 3.465 1.267 0.384 1.00 0.00 C ATOM 207 CG LYS A 17 3.982 1.416 1.839 1.00 0.00 C ATOM 208 CD LYS A 17 3.003 2.074 2.815 1.00 0.00 C ATOM 209 CE LYS A 17 2.015 1.020 3.332 1.00 0.00 C ATOM 210 NZ LYS A 17 0.749 1.676 3.706 1.00 0.00 N ATOM 0 H LYS A 17 3.561 -0.008 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 17 4.445 -0.649 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.946 2.017 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.395 1.473 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.239 0.427 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.902 2.001 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.547 2.519 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.464 2.881 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.834 0.268 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.437 0.502 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.256 1.099 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.949 2.617 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.147 1.776 2.863 1.00 0.00 H new ATOM 224 N HIS A 18 2.519 -2.054 -1.006 1.00 0.00 N ATOM 225 CA HIS A 18 1.362 -2.894 -1.297 1.00 0.00 C ATOM 226 C HIS A 18 0.602 -3.266 -0.040 1.00 0.00 C ATOM 227 O HIS A 18 1.145 -3.288 1.067 1.00 0.00 O ATOM 228 CB HIS A 18 1.908 -4.160 -1.978 1.00 0.00 C ATOM 229 CG HIS A 18 2.914 -4.889 -1.137 1.00 0.00 C ATOM 230 ND1 HIS A 18 3.401 -4.476 0.100 1.00 0.00 N ATOM 231 CD2 HIS A 18 3.481 -6.096 -1.528 1.00 0.00 C ATOM 232 CE1 HIS A 18 4.244 -5.491 0.367 1.00 0.00 C ATOM 233 NE2 HIS A 18 4.352 -6.493 -0.547 1.00 0.00 N ATOM 0 H HIS A 18 3.383 -2.383 -1.436 1.00 0.00 H new ATOM 0 HA HIS A 18 0.659 -2.358 -1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.079 -4.830 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.367 -3.886 -2.928 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.182 -3.643 0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.272 -6.628 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.819 -5.509 1.281 1.00 0.00 H new ATOM 445 N TRP A 32 7.604 -0.348 4.122 1.00 0.00 N ATOM 446 CA TRP A 32 7.407 -0.478 2.680 1.00 0.00 C ATOM 447 C TRP A 32 8.250 -1.601 2.124 1.00 0.00 C ATOM 448 O TRP A 32 9.061 -2.220 2.829 1.00 0.00 O ATOM 449 CB TRP A 32 7.785 0.862 1.989 1.00 0.00 C ATOM 450 CG TRP A 32 6.902 2.056 2.367 1.00 0.00 C ATOM 451 CD1 TRP A 32 6.468 2.378 3.670 1.00 0.00 C ATOM 452 CD2 TRP A 32 6.448 3.075 1.556 1.00 0.00 C ATOM 453 NE1 TRP A 32 5.750 3.589 3.694 1.00 0.00 N ATOM 454 CE2 TRP A 32 5.752 4.002 2.371 1.00 0.00 C ATOM 455 CE3 TRP A 32 6.559 3.286 0.157 1.00 0.00 C ATOM 456 CZ2 TRP A 32 5.199 5.169 1.799 1.00 0.00 C ATOM 457 CZ3 TRP A 32 6.004 4.446 -0.385 1.00 0.00 C ATOM 458 CH2 TRP A 32 5.380 5.399 0.432 1.00 0.00 C ATOM 0 HA TRP A 32 6.360 -0.710 2.485 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.819 1.102 2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.739 0.722 0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.662 1.771 4.542 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.327 4.054 4.497 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.061 2.566 -0.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.647 5.871 2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.056 4.612 -1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.034 6.326 -0.001 1.00 0.00 H new ATOM 469 N ASP A 33 8.091 -1.886 0.844 1.00 0.00 N ATOM 470 CA ASP A 33 8.742 -3.041 0.229 1.00 0.00 C ATOM 471 C ASP A 33 9.262 -2.718 -1.153 1.00 0.00 C ATOM 472 O ASP A 33 8.848 -1.752 -1.804 1.00 0.00 O ATOM 473 CB ASP A 33 7.769 -4.249 0.206 1.00 0.00 C ATOM 474 CG ASP A 33 6.856 -4.373 -1.023 1.00 0.00 C ATOM 475 OD1 ASP A 33 6.303 -3.413 -1.540 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.751 -5.657 -1.479 1.00 0.00 O ATOM 0 H ASP A 33 7.517 -1.336 0.205 1.00 0.00 H new ATOM 0 HA ASP A 33 9.609 -3.309 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.358 -5.163 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.139 -4.196 1.094 1.00 0.00 H new ATOM 481 N LYS A 34 10.197 -3.527 -1.617 1.00 0.00 N ATOM 482 CA LYS A 34 10.705 -3.445 -2.984 1.00 0.00 C ATOM 483 C LYS A 34 10.417 -4.725 -3.732 1.00 0.00 C ATOM 484 O LYS A 34 10.583 -5.834 -3.197 1.00 0.00 O ATOM 485 CB LYS A 34 12.233 -3.144 -2.982 1.00 0.00 C ATOM 486 CG LYS A 34 12.787 -2.596 -1.640 1.00 0.00 C ATOM 487 CD LYS A 34 14.249 -2.970 -1.363 1.00 0.00 C ATOM 488 CE LYS A 34 14.348 -4.488 -1.164 1.00 0.00 C ATOM 489 NZ LYS A 34 15.329 -4.782 -0.104 1.00 0.00 N ATOM 0 H LYS A 34 10.630 -4.263 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 34 10.195 -2.627 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.769 -4.059 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.448 -2.422 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.695 -1.510 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.167 -2.969 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.881 -2.657 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.609 -2.450 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.373 -4.895 -0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.648 -4.969 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.396 -5.811 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.259 -4.407 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.024 -4.335 0.784 1.00 0.00 H new ATOM 503 N VAL A 35 10.001 -4.620 -4.981 1.00 0.00 N ATOM 504 CA VAL A 35 9.556 -5.786 -5.741 1.00 0.00 C ATOM 505 C VAL A 35 9.374 -5.457 -7.204 1.00 0.00 C ATOM 506 O VAL A 35 9.373 -4.283 -7.606 1.00 0.00 O ATOM 507 CB VAL A 35 8.209 -6.336 -5.124 1.00 0.00 C ATOM 508 CG1 VAL A 35 8.344 -7.431 -4.029 1.00 0.00 C ATOM 509 CG2 VAL A 35 7.316 -5.241 -4.492 1.00 0.00 C ATOM 0 H VAL A 35 9.960 -3.740 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 35 10.326 -6.555 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 35 7.761 -6.770 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.353 -7.726 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.857 -8.299 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.917 -7.037 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.411 -5.697 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.861 -4.747 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.047 -4.508 -5.252 1.00 0.00 H new ATOM 519 N TYR A 36 9.197 -6.485 -8.012 1.00 0.00 N ATOM 520 CA TYR A 36 8.855 -6.315 -9.424 1.00 0.00 C ATOM 521 C TYR A 36 7.356 -6.359 -9.603 1.00 0.00 C ATOM 522 O TYR A 36 6.726 -7.418 -9.734 1.00 0.00 O ATOM 523 CB TYR A 36 9.487 -7.434 -10.303 1.00 0.00 C ATOM 524 CG TYR A 36 10.107 -7.006 -11.640 1.00 0.00 C ATOM 525 CD1 TYR A 36 9.577 -5.915 -12.335 1.00 0.00 C ATOM 526 CD2 TYR A 36 11.193 -7.704 -12.178 1.00 0.00 C ATOM 527 CE1 TYR A 36 10.070 -5.580 -13.593 1.00 0.00 C ATOM 528 CE2 TYR A 36 11.685 -7.366 -13.436 1.00 0.00 C ATOM 529 CZ TYR A 36 11.106 -6.322 -14.153 1.00 0.00 C ATOM 530 OH TYR A 36 11.557 -6.028 -15.409 1.00 0.00 O ATOM 0 H TYR A 36 9.284 -7.458 -7.717 1.00 0.00 H new ATOM 0 HA TYR A 36 9.249 -5.349 -9.740 1.00 0.00 H new ATOM 0 HB2 TYR A 36 10.259 -7.930 -9.715 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.717 -8.177 -10.510 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.783 -5.330 -11.895 1.00 0.00 H new ATOM 0 HD2 TYR A 36 11.650 -8.506 -11.617 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.649 -4.745 -14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 36 12.516 -7.914 -13.856 1.00 0.00 H new ATOM 0 HH TYR A 36 12.284 -6.641 -15.647 1.00 0.00 H new ATOM 540 N MET A 37 6.741 -5.187 -9.585 1.00 0.00 N ATOM 541 CA MET A 37 5.285 -5.093 -9.587 1.00 0.00 C ATOM 542 C MET A 37 4.714 -4.888 -10.973 1.00 0.00 C ATOM 543 O MET A 37 5.283 -4.252 -11.865 1.00 0.00 O ATOM 544 CB MET A 37 4.826 -3.934 -8.654 1.00 0.00 C ATOM 545 CG MET A 37 5.538 -3.900 -7.277 1.00 0.00 C ATOM 546 SD MET A 37 4.530 -4.747 -6.052 1.00 0.00 S ATOM 547 CE MET A 37 4.472 -6.369 -6.826 1.00 0.00 C ATOM 0 H MET A 37 7.223 -4.288 -9.569 1.00 0.00 H new ATOM 0 HA MET A 37 4.904 -6.046 -9.218 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.998 -2.985 -9.162 1.00 0.00 H new ATOM 0 HB3 MET A 37 3.751 -4.018 -8.492 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.515 -4.377 -7.350 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.709 -2.868 -6.971 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.261 -7.125 -6.070 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.688 -6.383 -7.583 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.433 -6.583 -7.295 1.00 0.00 H new ATOM 557 N ALA A 38 3.525 -5.430 -11.153 1.00 0.00 N ATOM 558 CA ALA A 38 2.693 -5.212 -12.330 1.00 0.00 C ATOM 559 C ALA A 38 1.287 -4.878 -11.865 1.00 0.00 C ATOM 560 O ALA A 38 0.324 -5.637 -12.009 1.00 0.00 O ATOM 561 CB ALA A 38 2.771 -6.454 -13.235 1.00 0.00 C ATOM 0 H ALA A 38 3.096 -6.052 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 38 3.041 -4.371 -12.930 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.151 -6.300 -14.118 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.804 -6.617 -13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.412 -7.326 -12.688 1.00 0.00 H new ATOM 567 N ALA A 39 1.185 -3.706 -11.257 1.00 0.00 N ATOM 568 CA ALA A 39 -0.030 -3.281 -10.576 1.00 0.00 C ATOM 569 C ALA A 39 -0.365 -1.846 -10.910 1.00 0.00 C ATOM 570 O ALA A 39 0.350 -1.137 -11.630 1.00 0.00 O ATOM 571 CB ALA A 39 0.176 -3.508 -9.068 1.00 0.00 C ATOM 0 H ALA A 39 1.941 -3.023 -11.221 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.886 -3.867 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.719 -3.199 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.365 -4.565 -8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.028 -2.921 -8.725 1.00 0.00 H new ATOM 577 N LYS A 40 -1.507 -1.410 -10.405 1.00 0.00 N ATOM 578 CA LYS A 40 -2.057 -0.105 -10.746 1.00 0.00 C ATOM 579 C LYS A 40 -3.242 0.239 -9.879 1.00 0.00 C ATOM 580 O LYS A 40 -3.522 -0.372 -8.842 1.00 0.00 O ATOM 581 CB LYS A 40 -2.471 -0.122 -12.251 1.00 0.00 C ATOM 582 CG LYS A 40 -2.687 -1.569 -12.782 1.00 0.00 C ATOM 583 CD LYS A 40 -3.740 -1.708 -13.885 1.00 0.00 C ATOM 584 CE LYS A 40 -3.906 -3.193 -14.235 1.00 0.00 C ATOM 585 NZ LYS A 40 -3.074 -3.515 -15.408 1.00 0.00 N ATOM 0 H LYS A 40 -2.077 -1.946 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.299 0.659 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.388 0.452 -12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.700 0.370 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.737 -1.946 -13.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.973 -2.207 -11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.691 -1.291 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.437 -1.145 -14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.614 -3.813 -13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.952 -3.414 -14.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.185 -4.521 -15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.373 -2.932 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.076 -3.319 -15.190 1.00 0.00 H new ATOM 599 N ALA A 41 -3.984 1.235 -10.322 1.00 0.00 N ATOM 600 CA ALA A 41 -5.273 1.605 -9.750 1.00 0.00 C ATOM 601 C ALA A 41 -6.391 0.846 -10.437 1.00 0.00 C ATOM 602 O ALA A 41 -7.545 1.287 -10.425 1.00 0.00 O ATOM 603 CB ALA A 41 -5.418 3.133 -9.871 1.00 0.00 C ATOM 0 H ALA A 41 -3.706 1.825 -11.106 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.333 1.334 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.375 3.442 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.609 3.620 -9.327 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.373 3.421 -10.921 1.00 0.00 H new ATOM 609 N GLY A 42 -6.106 -0.277 -11.076 1.00 0.00 N ATOM 610 CA GLY A 42 -7.079 -0.999 -11.896 1.00 0.00 C ATOM 611 C GLY A 42 -7.029 -2.482 -11.599 1.00 0.00 C ATOM 612 O GLY A 42 -8.065 -3.157 -11.517 1.00 0.00 O ATOM 0 H GLY A 42 -5.188 -0.720 -11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.081 -0.617 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.872 -0.827 -12.952 1.00 0.00 H new ATOM 616 N ARG A 43 -5.834 -3.021 -11.456 1.00 0.00 N ATOM 617 CA ARG A 43 -5.662 -4.407 -11.024 1.00 0.00 C ATOM 618 C ARG A 43 -4.336 -4.595 -10.327 1.00 0.00 C ATOM 619 O ARG A 43 -3.511 -3.667 -10.257 1.00 0.00 O ATOM 620 CB ARG A 43 -5.782 -5.333 -12.265 1.00 0.00 C ATOM 621 CG ARG A 43 -7.195 -5.400 -12.905 1.00 0.00 C ATOM 622 CD ARG A 43 -7.281 -6.432 -14.037 1.00 0.00 C ATOM 623 NE ARG A 43 -6.346 -6.022 -15.116 1.00 0.00 N ATOM 624 CZ ARG A 43 -5.662 -6.846 -15.898 1.00 0.00 C ATOM 625 NH1 ARG A 43 -5.717 -8.143 -15.823 1.00 0.00 N ATOM 626 NH2 ARG A 43 -4.895 -6.321 -16.787 1.00 0.00 N ATOM 0 H ARG A 43 -4.961 -2.524 -11.632 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.439 -4.665 -10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.074 -4.994 -13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.483 -6.341 -11.977 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.927 -5.648 -12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.461 -4.417 -13.293 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.022 -7.424 -13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.300 -6.491 -14.420 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.219 -5.021 -15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.316 -8.589 -15.128 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.161 -8.715 -16.459 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.830 -5.306 -16.870 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.351 -6.919 -17.409 1.00 0.00 H new ATOM 640 N ILE A 44 -4.070 -5.783 -9.815 1.00 0.00 N ATOM 641 CA ILE A 44 -2.757 -6.092 -9.244 1.00 0.00 C ATOM 642 C ILE A 44 -2.216 -7.404 -9.762 1.00 0.00 C ATOM 643 O ILE A 44 -2.947 -8.347 -10.081 1.00 0.00 O ATOM 644 CB ILE A 44 -2.783 -6.076 -7.660 1.00 0.00 C ATOM 645 CG1 ILE A 44 -2.750 -4.653 -7.013 1.00 0.00 C ATOM 646 CG2 ILE A 44 -1.628 -6.916 -7.031 1.00 0.00 C ATOM 647 CD1 ILE A 44 -3.825 -3.658 -7.495 1.00 0.00 C ATOM 0 H ILE A 44 -4.739 -6.552 -9.779 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.080 -5.302 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.750 -6.526 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.848 -4.766 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.770 -4.215 -7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.695 -6.870 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.714 -7.953 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.668 -6.513 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.700 -2.708 -6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.720 -3.501 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.815 -4.061 -7.282 1.00 0.00 H new ATOM 659 N SER A 45 -0.903 -7.467 -9.880 1.00 0.00 N ATOM 660 CA SER A 45 -0.186 -8.699 -10.195 1.00 0.00 C ATOM 661 C SER A 45 1.230 -8.617 -9.671 1.00 0.00 C ATOM 662 O SER A 45 2.102 -7.969 -10.270 1.00 0.00 O ATOM 663 CB SER A 45 -0.223 -9.011 -11.711 1.00 0.00 C ATOM 664 OG SER A 45 -0.011 -10.398 -12.000 1.00 0.00 O ATOM 0 H SER A 45 -0.293 -6.658 -9.759 1.00 0.00 H new ATOM 0 HA SER A 45 -0.688 -9.529 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.187 -8.704 -12.117 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.539 -8.419 -12.217 1.00 0.00 H new ATOM 0 HG SER A 45 -0.046 -10.539 -12.969 1.00 0.00 H new ATOM 670 N PHE A 46 1.490 -9.244 -8.541 1.00 0.00 N ATOM 671 CA PHE A 46 2.775 -9.082 -7.852 1.00 0.00 C ATOM 672 C PHE A 46 3.768 -10.193 -8.125 1.00 0.00 C ATOM 673 O PHE A 46 3.424 -11.373 -8.243 1.00 0.00 O ATOM 674 CB PHE A 46 2.509 -9.050 -6.315 1.00 0.00 C ATOM 675 CG PHE A 46 1.857 -7.772 -5.764 1.00 0.00 C ATOM 676 CD1 PHE A 46 1.603 -6.698 -6.626 1.00 0.00 C ATOM 677 CD2 PHE A 46 1.454 -7.691 -4.429 1.00 0.00 C ATOM 678 CE1 PHE A 46 0.919 -5.577 -6.170 1.00 0.00 C ATOM 679 CE2 PHE A 46 0.766 -6.569 -3.973 1.00 0.00 C ATOM 680 CZ PHE A 46 0.467 -5.529 -4.852 1.00 0.00 C ATOM 0 H PHE A 46 0.836 -9.872 -8.073 1.00 0.00 H new ATOM 0 HA PHE A 46 3.214 -8.158 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.871 -9.897 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.458 -9.199 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.940 -6.741 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.676 -8.500 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.738 -4.745 -6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.464 -6.505 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.115 -4.685 -4.512 1.00 0.00 H new ATOM 690 N TYR A 47 5.033 -9.817 -8.205 1.00 0.00 N ATOM 691 CA TYR A 47 6.135 -10.771 -8.293 1.00 0.00 C ATOM 692 C TYR A 47 7.437 -10.125 -7.876 1.00 0.00 C ATOM 693 O TYR A 47 8.085 -9.402 -8.644 1.00 0.00 O ATOM 694 CB TYR A 47 6.292 -11.303 -9.747 1.00 0.00 C ATOM 695 CG TYR A 47 6.265 -10.265 -10.876 1.00 0.00 C ATOM 696 CD1 TYR A 47 5.056 -9.657 -11.229 1.00 0.00 C ATOM 697 CD2 TYR A 47 7.434 -9.927 -11.564 1.00 0.00 C ATOM 698 CE1 TYR A 47 5.000 -8.794 -12.321 1.00 0.00 C ATOM 699 CE2 TYR A 47 7.386 -9.013 -12.614 1.00 0.00 C ATOM 700 CZ TYR A 47 6.164 -8.480 -13.017 1.00 0.00 C ATOM 701 OH TYR A 47 6.109 -7.650 -14.101 1.00 0.00 O ATOM 0 H TYR A 47 5.330 -8.841 -8.211 1.00 0.00 H new ATOM 0 HA TYR A 47 5.903 -11.599 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.235 -11.846 -9.809 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.496 -12.025 -9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.164 -9.857 -10.654 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.375 -10.375 -11.281 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.055 -8.369 -12.627 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.296 -8.718 -13.115 1.00 0.00 H new ATOM 0 HH TYR A 47 7.009 -7.534 -14.470 1.00 0.00 H new ATOM 711 N LYS A 48 7.841 -10.351 -6.636 1.00 0.00 N ATOM 712 CA LYS A 48 9.035 -9.704 -6.089 1.00 0.00 C ATOM 713 C LYS A 48 10.227 -9.886 -7.003 1.00 0.00 C ATOM 714 O LYS A 48 11.114 -9.035 -7.124 1.00 0.00 O ATOM 715 CB LYS A 48 9.331 -10.272 -4.674 1.00 0.00 C ATOM 716 CG LYS A 48 10.699 -9.817 -4.104 1.00 0.00 C ATOM 717 CD LYS A 48 11.168 -10.583 -2.864 1.00 0.00 C ATOM 718 CE LYS A 48 10.727 -9.826 -1.605 1.00 0.00 C ATOM 719 NZ LYS A 48 10.874 -10.701 -0.428 1.00 0.00 N ATOM 0 H LYS A 48 7.364 -10.976 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 48 8.847 -8.633 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.540 -9.961 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.306 -11.361 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.454 -9.920 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.639 -8.757 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.748 -11.589 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.253 -10.690 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.329 -8.926 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.690 -9.505 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.145 -10.130 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.971 -11.180 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.610 -11.412 -0.614 1.00 0.00 H new ATOM 733 N ASP A 49 10.242 -11.016 -7.685 1.00 0.00 N ATOM 734 CA ASP A 49 11.222 -11.312 -8.725 1.00 0.00 C ATOM 735 C ASP A 49 10.662 -12.310 -9.712 1.00 0.00 C ATOM 736 O ASP A 49 9.440 -12.510 -9.809 1.00 0.00 O ATOM 737 CB ASP A 49 12.552 -11.803 -8.096 1.00 0.00 C ATOM 738 CG ASP A 49 13.134 -10.956 -6.955 1.00 0.00 C ATOM 739 OD1 ASP A 49 13.681 -9.878 -7.137 1.00 0.00 O ATOM 740 OD2 ASP A 49 12.973 -11.537 -5.728 1.00 0.00 O ATOM 0 H ASP A 49 9.568 -11.766 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 49 11.440 -10.397 -9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.398 -12.815 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.299 -11.866 -8.887 1.00 0.00 H new ATOM 745 N GLN A 50 11.527 -12.942 -10.482 1.00 0.00 N ATOM 746 CA GLN A 50 11.112 -14.030 -11.365 1.00 0.00 C ATOM 747 C GLN A 50 10.979 -15.348 -10.625 1.00 0.00 C ATOM 748 O GLN A 50 10.588 -16.356 -11.230 1.00 0.00 O ATOM 749 CB GLN A 50 12.143 -14.147 -12.508 1.00 0.00 C ATOM 750 CG GLN A 50 12.041 -13.068 -13.638 1.00 0.00 C ATOM 751 CD GLN A 50 12.701 -13.334 -14.996 1.00 0.00 C ATOM 752 OE1 GLN A 50 13.885 -13.101 -15.179 1.00 0.00 O ATOM 753 NE2 GLN A 50 11.986 -13.795 -15.991 1.00 0.00 N ATOM 0 H GLN A 50 12.523 -12.725 -10.518 1.00 0.00 H new ATOM 0 HA GLN A 50 10.125 -13.802 -11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.142 -14.098 -12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.041 -15.132 -12.963 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.982 -12.884 -13.820 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.463 -12.143 -13.245 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.995 -13.996 -15.857 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.420 -13.954 -16.900 1.00 0.00 H new ATOM 762 N LYS A 51 11.259 -15.400 -9.336 1.00 0.00 N ATOM 763 CA LYS A 51 11.319 -16.636 -8.540 1.00 0.00 C ATOM 764 C LYS A 51 10.119 -17.559 -8.664 1.00 0.00 C ATOM 765 O LYS A 51 10.203 -18.672 -9.220 1.00 0.00 O ATOM 766 CB LYS A 51 11.480 -16.241 -7.039 1.00 0.00 C ATOM 767 CG LYS A 51 10.730 -14.930 -6.677 1.00 0.00 C ATOM 768 CD LYS A 51 9.708 -15.038 -5.542 1.00 0.00 C ATOM 769 CE LYS A 51 10.357 -15.729 -4.336 1.00 0.00 C ATOM 770 NZ LYS A 51 11.732 -15.227 -4.163 1.00 0.00 N ATOM 0 H LYS A 51 11.459 -14.564 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 51 12.164 -17.200 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.108 -17.052 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.539 -16.123 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.468 -14.175 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.218 -14.569 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.355 -14.046 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.838 -15.604 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.773 -15.538 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.369 -16.809 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.002 -15.293 -3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.385 -15.799 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.780 -14.235 -4.470 1.00 0.00 H new ATOM 784 N GLY A 52 8.985 -17.170 -8.111 1.00 0.00 N ATOM 785 CA GLY A 52 7.753 -17.972 -8.244 1.00 0.00 C ATOM 786 C GLY A 52 7.365 -18.027 -9.709 1.00 0.00 C ATOM 787 O GLY A 52 6.986 -19.065 -10.258 1.00 0.00 O ATOM 0 H GLY A 52 8.877 -16.314 -7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.914 -18.978 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.949 -17.530 -7.656 1.00 0.00 H new ATOM 791 N TYR A 53 7.466 -16.873 -10.350 1.00 0.00 N ATOM 792 CA TYR A 53 7.286 -16.767 -11.795 1.00 0.00 C ATOM 793 C TYR A 53 8.037 -17.862 -12.525 1.00 0.00 C ATOM 794 O TYR A 53 7.631 -18.368 -13.576 1.00 0.00 O ATOM 795 CB TYR A 53 7.811 -15.396 -12.312 1.00 0.00 C ATOM 796 CG TYR A 53 6.766 -14.306 -12.579 1.00 0.00 C ATOM 797 CD1 TYR A 53 5.466 -14.454 -12.085 1.00 0.00 C ATOM 798 CD2 TYR A 53 7.102 -13.160 -13.305 1.00 0.00 C ATOM 799 CE1 TYR A 53 4.540 -13.426 -12.235 1.00 0.00 C ATOM 800 CE2 TYR A 53 6.168 -12.139 -13.468 1.00 0.00 C ATOM 801 CZ TYR A 53 4.880 -12.287 -12.961 1.00 0.00 C ATOM 802 OH TYR A 53 3.947 -11.314 -13.182 1.00 0.00 O ATOM 0 H TYR A 53 7.674 -15.987 -9.889 1.00 0.00 H new ATOM 0 HA TYR A 53 6.218 -16.863 -11.991 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.524 -15.010 -11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.362 -15.571 -13.236 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.180 -15.368 -11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.086 -13.066 -13.740 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.560 -13.511 -11.789 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.443 -11.233 -13.988 1.00 0.00 H new ATOM 0 HH TYR A 53 4.307 -10.446 -12.903 1.00 0.00 H new ATOM 812 N LYS A 54 9.160 -18.265 -11.952 1.00 0.00 N ATOM 813 CA LYS A 54 10.015 -19.324 -12.480 1.00 0.00 C ATOM 814 C LYS A 54 9.343 -20.670 -12.346 1.00 0.00 C ATOM 815 O LYS A 54 9.301 -21.476 -13.282 1.00 0.00 O ATOM 816 CB LYS A 54 11.386 -19.308 -11.745 1.00 0.00 C ATOM 817 CG LYS A 54 12.526 -19.976 -12.563 1.00 0.00 C ATOM 818 CD LYS A 54 12.060 -20.822 -13.750 1.00 0.00 C ATOM 819 CE LYS A 54 13.139 -20.804 -14.841 1.00 0.00 C ATOM 820 NZ LYS A 54 12.859 -19.710 -15.787 1.00 0.00 N ATOM 0 H LYS A 54 9.513 -17.857 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 54 10.187 -19.145 -13.541 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.661 -18.276 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.285 -19.821 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.193 -19.197 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.111 -20.607 -11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.869 -21.846 -13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.122 -20.431 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.123 -20.669 -14.393 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.157 -21.759 -15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.589 -19.696 -16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.927 -19.858 -16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.863 -18.802 -15.279 1.00 0.00 H new ATOM 834 N SER A 55 8.784 -20.922 -11.176 1.00 0.00 N ATOM 835 CA SER A 55 8.006 -22.132 -10.924 1.00 0.00 C ATOM 836 C SER A 55 6.551 -21.939 -11.284 1.00 0.00 C ATOM 837 O SER A 55 6.105 -22.277 -12.389 1.00 0.00 O ATOM 838 CB SER A 55 8.169 -22.591 -9.453 1.00 0.00 C ATOM 839 OG SER A 55 7.228 -23.603 -9.078 1.00 0.00 O ATOM 0 H SER A 55 8.854 -20.298 -10.372 1.00 0.00 H new ATOM 0 HA SER A 55 8.394 -22.921 -11.568 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.180 -22.970 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.052 -21.731 -8.794 1.00 0.00 H new ATOM 0 HG SER A 55 7.376 -23.857 -8.143 1.00 0.00 H new ATOM 845 N ASN A 56 5.785 -21.376 -10.369 1.00 0.00 N ATOM 846 CA ASN A 56 4.336 -21.266 -10.532 1.00 0.00 C ATOM 847 C ASN A 56 3.890 -19.823 -10.547 1.00 0.00 C ATOM 848 O ASN A 56 4.352 -18.993 -9.769 1.00 0.00 O ATOM 849 CB ASN A 56 3.628 -22.047 -9.386 1.00 0.00 C ATOM 850 CG ASN A 56 3.471 -23.560 -9.571 1.00 0.00 C ATOM 851 OD1 ASN A 56 2.271 -24.053 -9.715 1.00 0.00 O flip ATOM 852 ND2 ASN A 56 4.429 -24.319 -9.586 1.00 0.00 N flip ATOM 0 H ASN A 56 6.139 -20.983 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 56 4.060 -21.700 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.183 -21.874 -8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.636 -21.618 -9.246 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.374 -23.950 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.284 -25.321 -9.710 1.00 0.00 H new ATOM 859 N PRO A 57 2.968 -19.506 -11.439 1.00 0.00 N ATOM 860 CA PRO A 57 2.431 -18.103 -11.724 1.00 0.00 C ATOM 861 C PRO A 57 1.499 -17.534 -10.678 1.00 0.00 C ATOM 862 O PRO A 57 1.237 -16.315 -10.662 1.00 0.00 O ATOM 863 CB PRO A 57 1.667 -18.207 -13.035 1.00 0.00 C ATOM 864 CG PRO A 57 1.096 -19.631 -12.930 1.00 0.00 C ATOM 865 CD PRO A 57 2.259 -20.440 -12.347 1.00 0.00 C ATOM 0 HA PRO A 57 3.284 -17.425 -11.742 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.884 -17.454 -13.117 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.317 -18.086 -13.902 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.219 -19.665 -12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.789 -20.013 -13.904 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.898 -21.315 -11.807 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.920 -20.802 -13.134 1.00 0.00 H new ATOM 873 N GLU A 58 0.959 -18.357 -9.797 1.00 0.00 N ATOM 874 CA GLU A 58 0.164 -17.868 -8.673 1.00 0.00 C ATOM 875 C GLU A 58 0.889 -18.047 -7.356 1.00 0.00 C ATOM 876 O GLU A 58 0.284 -17.856 -6.279 1.00 0.00 O ATOM 877 CB GLU A 58 -1.204 -18.612 -8.675 1.00 0.00 C ATOM 878 CG GLU A 58 -1.196 -20.168 -8.856 1.00 0.00 C ATOM 879 CD GLU A 58 -2.411 -20.958 -8.359 1.00 0.00 C ATOM 880 OE1 GLU A 58 -3.597 -20.320 -8.556 1.00 0.00 O ATOM 881 OE2 GLU A 58 -2.319 -22.060 -7.835 1.00 0.00 O ATOM 0 H GLU A 58 1.054 -19.372 -9.834 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.002 -16.797 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.707 -18.388 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.814 -18.187 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.072 -20.380 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.314 -20.558 -8.348 1.00 0.00 H new ATOM 888 N LEU A 59 2.164 -18.383 -7.361 1.00 0.00 N ATOM 889 CA LEU A 59 2.966 -18.417 -6.135 1.00 0.00 C ATOM 890 C LEU A 59 4.308 -17.765 -6.366 1.00 0.00 C ATOM 891 O LEU A 59 5.373 -18.370 -6.181 1.00 0.00 O ATOM 892 CB LEU A 59 3.145 -19.871 -5.607 1.00 0.00 C ATOM 893 CG LEU A 59 1.912 -20.817 -5.588 1.00 0.00 C ATOM 894 CD1 LEU A 59 0.701 -20.215 -4.859 1.00 0.00 C ATOM 895 CD2 LEU A 59 1.530 -21.208 -7.021 1.00 0.00 C ATOM 0 H LEU A 59 2.678 -18.640 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 59 2.430 -17.855 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.918 -20.348 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.528 -19.808 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 59 2.202 -21.705 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.126 -20.924 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.969 -20.001 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.400 -19.292 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.665 -21.871 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.285 -20.311 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.368 -21.720 -7.494 1.00 0.00 H new ATOM 907 N THR A 60 4.288 -16.517 -6.802 1.00 0.00 N ATOM 908 CA THR A 60 5.513 -15.826 -7.202 1.00 0.00 C ATOM 909 C THR A 60 6.497 -15.766 -6.058 1.00 0.00 C ATOM 910 O THR A 60 7.384 -16.627 -5.923 1.00 0.00 O ATOM 911 CB THR A 60 5.195 -14.388 -7.737 1.00 0.00 C ATOM 912 OG1 THR A 60 4.019 -13.875 -7.128 1.00 0.00 O ATOM 913 CG2 THR A 60 4.926 -14.268 -9.253 1.00 0.00 C ATOM 0 H THR A 60 3.440 -15.957 -6.890 1.00 0.00 H new ATOM 0 HA THR A 60 5.970 -16.395 -8.012 1.00 0.00 H new ATOM 0 HB THR A 60 6.107 -13.842 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.345 -13.696 -7.817 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.718 -13.228 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.802 -14.607 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.068 -14.884 -9.520 1.00 0.00 H new ATOM 921 N PHE A 61 6.368 -14.779 -5.192 1.00 0.00 N ATOM 922 CA PHE A 61 7.239 -14.660 -4.020 1.00 0.00 C ATOM 923 C PHE A 61 6.456 -14.775 -2.729 1.00 0.00 C ATOM 924 O PHE A 61 6.920 -14.393 -1.646 1.00 0.00 O ATOM 925 CB PHE A 61 7.976 -13.287 -4.058 1.00 0.00 C ATOM 926 CG PHE A 61 7.437 -12.142 -3.188 1.00 0.00 C ATOM 927 CD1 PHE A 61 6.408 -11.317 -3.650 1.00 0.00 C ATOM 928 CD2 PHE A 61 8.026 -11.880 -1.945 1.00 0.00 C ATOM 929 CE1 PHE A 61 6.004 -10.218 -2.895 1.00 0.00 C ATOM 930 CE2 PHE A 61 7.562 -10.835 -1.156 1.00 0.00 C ATOM 931 CZ PHE A 61 6.565 -9.991 -1.640 1.00 0.00 C ATOM 0 H PHE A 61 5.668 -14.041 -5.272 1.00 0.00 H new ATOM 0 HA PHE A 61 7.960 -15.477 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.014 -13.460 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.983 -12.943 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.926 -11.531 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.845 -12.493 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.256 -9.542 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.973 -10.677 -0.170 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.226 -9.159 -1.041 1.00 0.00 H new ATOM 941 N ARG A 62 5.260 -15.324 -2.802 1.00 0.00 N ATOM 942 CA ARG A 62 4.289 -15.397 -1.707 1.00 0.00 C ATOM 943 C ARG A 62 3.587 -14.082 -1.470 1.00 0.00 C ATOM 944 O ARG A 62 2.479 -14.078 -0.860 1.00 0.00 O ATOM 945 CB ARG A 62 5.005 -15.890 -0.420 1.00 0.00 C ATOM 946 CG ARG A 62 4.259 -17.011 0.353 1.00 0.00 C ATOM 947 CD ARG A 62 5.123 -17.637 1.456 1.00 0.00 C ATOM 948 NE ARG A 62 4.220 -18.192 2.496 1.00 0.00 N ATOM 949 CZ ARG A 62 4.424 -19.308 3.183 1.00 0.00 C ATOM 950 NH1 ARG A 62 5.486 -20.049 3.080 1.00 0.00 N ATOM 951 NH2 ARG A 62 3.504 -19.675 4.004 1.00 0.00 N ATOM 0 H ARG A 62 4.915 -15.753 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 62 3.513 -16.109 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.997 -16.253 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.147 -15.040 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.351 -16.601 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.950 -17.787 -0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.755 -18.423 1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.787 -16.889 1.889 1.00 0.00 H new ATOM 0 HE ARG A 62 3.368 -17.669 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.232 -19.784 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.574 -20.896 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.658 -19.114 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.620 -20.527 4.552 1.00 0.00 H new ATOM 965 N GLY A 63 4.116 -12.946 -1.861 1.00 0.00 N ATOM 966 CA GLY A 63 3.363 -11.667 -1.896 1.00 0.00 C ATOM 967 C GLY A 63 2.838 -11.579 -3.351 1.00 0.00 C ATOM 968 O GLY A 63 2.841 -10.558 -4.036 1.00 0.00 O ATOM 0 H GLY A 63 5.084 -12.859 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.545 -11.666 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.004 -10.820 -1.651 1.00 0.00 H new ATOM 972 N GLU A 64 2.354 -12.723 -3.787 1.00 0.00 N ATOM 973 CA GLU A 64 2.002 -13.013 -5.184 1.00 0.00 C ATOM 974 C GLU A 64 0.673 -12.483 -5.688 1.00 0.00 C ATOM 975 O GLU A 64 0.526 -12.220 -6.890 1.00 0.00 O ATOM 976 CB GLU A 64 2.045 -14.573 -5.330 1.00 0.00 C ATOM 977 CG GLU A 64 1.133 -15.413 -4.375 1.00 0.00 C ATOM 978 CD GLU A 64 -0.377 -15.425 -4.621 1.00 0.00 C ATOM 979 OE1 GLU A 64 -0.725 -15.161 -5.911 1.00 0.00 O ATOM 980 OE2 GLU A 64 -1.193 -15.654 -3.738 1.00 0.00 O ATOM 0 H GLU A 64 2.184 -13.513 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 64 2.723 -12.482 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.777 -14.822 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.075 -14.897 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.481 -16.445 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.299 -15.054 -3.359 1.00 0.00 H new ATOM 987 N PRO A 65 -0.315 -12.318 -4.841 1.00 0.00 N ATOM 988 CA PRO A 65 -1.767 -11.933 -5.083 1.00 0.00 C ATOM 989 C PRO A 65 -2.022 -10.862 -6.127 1.00 0.00 C ATOM 990 O PRO A 65 -1.139 -10.182 -6.662 1.00 0.00 O ATOM 991 CB PRO A 65 -2.274 -11.428 -3.737 1.00 0.00 C ATOM 992 CG PRO A 65 -1.574 -12.446 -2.795 1.00 0.00 C ATOM 993 CD PRO A 65 -0.161 -12.523 -3.352 1.00 0.00 C ATOM 0 HA PRO A 65 -2.275 -12.812 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.975 -10.399 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.361 -11.465 -3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.580 -12.106 -1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.068 -13.418 -2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.479 -11.758 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.298 -13.487 -3.132 1.00 0.00 H new ATOM 1001 N SER A 66 -3.304 -10.717 -6.456 1.00 0.00 N ATOM 1002 CA SER A 66 -3.761 -9.855 -7.540 1.00 0.00 C ATOM 1003 C SER A 66 -5.079 -9.199 -7.192 1.00 0.00 C ATOM 1004 O SER A 66 -5.722 -9.519 -6.186 1.00 0.00 O ATOM 1005 CB SER A 66 -3.856 -10.649 -8.867 1.00 0.00 C ATOM 1006 OG SER A 66 -2.572 -10.939 -9.433 1.00 0.00 O ATOM 0 H SER A 66 -4.061 -11.200 -5.972 1.00 0.00 H new ATOM 0 HA SER A 66 -3.027 -9.061 -7.678 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.389 -11.583 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.444 -10.078 -9.585 1.00 0.00 H new ATOM 0 HG SER A 66 -2.688 -11.441 -10.267 1.00 0.00 H new ATOM 1012 N TYR A 67 -5.509 -8.283 -8.039 1.00 0.00 N ATOM 1013 CA TYR A 67 -6.694 -7.471 -7.775 1.00 0.00 C ATOM 1014 C TYR A 67 -7.258 -6.915 -9.063 1.00 0.00 C ATOM 1015 O TYR A 67 -6.604 -6.897 -10.111 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.341 -6.295 -6.814 1.00 0.00 C ATOM 1017 CG TYR A 67 -6.120 -6.685 -5.347 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -7.073 -7.485 -4.700 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -4.995 -6.251 -4.641 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -6.896 -7.848 -3.369 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.838 -6.589 -3.299 1.00 0.00 C ATOM 1022 CZ TYR A 67 -5.774 -7.408 -2.672 1.00 0.00 C ATOM 1023 OH TYR A 67 -5.587 -7.782 -1.371 1.00 0.00 O ATOM 0 H TYR A 67 -5.053 -8.077 -8.928 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.443 -8.109 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.439 -5.806 -7.182 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.143 -5.558 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.948 -7.821 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.246 -5.652 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.628 -8.471 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.990 -6.216 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.755 -7.389 -1.034 1.00 0.00 H new ATOM 1033 N ASP A 68 -8.502 -6.480 -9.003 1.00 0.00 N ATOM 1034 CA ASP A 68 -9.219 -5.950 -10.159 1.00 0.00 C ATOM 1035 C ASP A 68 -9.986 -4.706 -9.777 1.00 0.00 C ATOM 1036 O ASP A 68 -11.194 -4.579 -10.002 1.00 0.00 O ATOM 1037 CB ASP A 68 -10.139 -7.041 -10.766 1.00 0.00 C ATOM 1038 CG ASP A 68 -10.622 -6.817 -12.206 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -10.520 -5.745 -12.785 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -11.194 -7.933 -12.753 1.00 0.00 O ATOM 0 H ASP A 68 -9.053 -6.482 -8.145 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.501 -5.664 -10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.607 -7.992 -10.730 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.015 -7.141 -10.126 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.277 -3.747 -9.205 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.913 -2.562 -8.637 1.00 0.00 C ATOM 1047 C LEU A 69 -9.987 -1.396 -9.598 1.00 0.00 C ATOM 1048 O LEU A 69 -9.029 -0.599 -9.667 1.00 0.00 O ATOM 1049 CB LEU A 69 -9.162 -2.112 -7.344 1.00 0.00 C ATOM 1050 CG LEU A 69 -9.260 -2.989 -6.069 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -10.310 -4.091 -6.261 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -7.912 -3.613 -5.671 1.00 0.00 C ATOM 0 H LEU A 69 -8.261 -3.763 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.937 -2.854 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.106 -2.015 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.521 -1.116 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.562 -2.329 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.368 -4.699 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.282 -3.638 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.027 -4.720 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.041 -4.216 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.550 -4.244 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.188 -2.822 -5.476 1.00 0.00 H new ATOM 1064 N GLN A 70 -11.067 -1.215 -10.326 1.00 0.00 N ATOM 1065 CA GLN A 70 -11.304 0.016 -11.076 1.00 0.00 C ATOM 1066 C GLN A 70 -12.051 1.025 -10.227 1.00 0.00 C ATOM 1067 O GLN A 70 -12.569 2.052 -10.676 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.090 -0.341 -12.358 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.005 -1.866 -12.753 1.00 0.00 C ATOM 1070 CD GLN A 70 -12.106 -2.316 -14.208 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -12.824 -3.252 -14.535 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -11.438 -1.685 -15.140 1.00 0.00 N ATOM 0 H GLN A 70 -11.808 -1.910 -10.420 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.356 0.477 -11.352 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.136 -0.069 -12.219 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.711 0.260 -13.184 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.056 -2.241 -12.370 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.795 -2.380 -12.206 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.833 -0.902 -14.892 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.522 -1.976 -16.114 1.00 0.00 H new ATOM 1081 N ASN A 71 -12.143 0.720 -8.945 1.00 0.00 N ATOM 1082 CA ASN A 71 -12.900 1.450 -7.933 1.00 0.00 C ATOM 1083 C ASN A 71 -12.000 2.226 -6.997 1.00 0.00 C ATOM 1084 O ASN A 71 -12.403 3.232 -6.402 1.00 0.00 O ATOM 1085 CB ASN A 71 -13.745 0.410 -7.135 1.00 0.00 C ATOM 1086 CG ASN A 71 -14.954 -0.189 -7.864 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -16.107 -0.022 -7.497 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -14.734 -0.894 -8.945 1.00 0.00 N ATOM 0 H ASN A 71 -11.664 -0.092 -8.555 1.00 0.00 H new ATOM 0 HA ASN A 71 -13.541 2.183 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.088 -0.406 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -14.099 0.887 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.518 -1.291 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.779 -1.046 -9.269 1.00 0.00 H new ATOM 1095 N ALA A 72 -10.779 1.755 -6.826 1.00 0.00 N ATOM 1096 CA ALA A 72 -9.804 2.333 -5.901 1.00 0.00 C ATOM 1097 C ALA A 72 -9.789 3.844 -5.959 1.00 0.00 C ATOM 1098 O ALA A 72 -10.088 4.479 -6.975 1.00 0.00 O ATOM 1099 CB ALA A 72 -8.429 1.724 -6.235 1.00 0.00 C ATOM 0 H ALA A 72 -10.424 0.944 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.077 2.091 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.676 2.134 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.472 0.641 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.165 1.965 -7.265 1.00 0.00 H new ATOM 1105 N ALA A 73 -9.451 4.445 -4.827 1.00 0.00 N ATOM 1106 CA ALA A 73 -9.249 5.887 -4.735 1.00 0.00 C ATOM 1107 C ALA A 73 -7.836 6.261 -5.117 1.00 0.00 C ATOM 1108 O ALA A 73 -6.988 5.407 -5.402 1.00 0.00 O ATOM 1109 CB ALA A 73 -9.612 6.319 -3.304 1.00 0.00 C ATOM 0 H ALA A 73 -9.309 3.949 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.892 6.414 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.471 7.395 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.653 6.068 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.969 5.800 -2.593 1.00 0.00 H new ATOM 1115 N ILE A 74 -7.556 7.552 -5.133 1.00 0.00 N ATOM 1116 CA ILE A 74 -6.254 8.048 -5.575 1.00 0.00 C ATOM 1117 C ILE A 74 -5.910 9.362 -4.911 1.00 0.00 C ATOM 1118 O ILE A 74 -6.758 10.237 -4.706 1.00 0.00 O ATOM 1119 CB ILE A 74 -6.188 8.156 -7.153 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -5.565 6.914 -7.867 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -5.426 9.427 -7.641 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -5.025 7.160 -9.291 1.00 0.00 C ATOM 0 H ILE A 74 -8.210 8.281 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.501 7.323 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.239 8.216 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.750 6.535 -7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.320 6.129 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.413 9.447 -8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.929 10.319 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.403 9.404 -7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.616 6.232 -9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.835 7.505 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.241 7.917 -9.257 1.00 0.00 H new ATOM 1134 N GLU A 75 -4.645 9.509 -4.554 1.00 0.00 N ATOM 1135 CA GLU A 75 -4.121 10.768 -4.032 1.00 0.00 C ATOM 1136 C GLU A 75 -2.612 10.735 -3.963 1.00 0.00 C ATOM 1137 O GLU A 75 -1.983 9.673 -4.072 1.00 0.00 O ATOM 1138 CB GLU A 75 -4.755 11.023 -2.635 1.00 0.00 C ATOM 1139 CG GLU A 75 -3.953 10.578 -1.369 1.00 0.00 C ATOM 1140 CD GLU A 75 -4.336 9.258 -0.693 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -5.509 9.315 -0.004 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -3.648 8.249 -0.767 1.00 0.00 O ATOM 0 H GLU A 75 -3.951 8.764 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.385 11.588 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.950 12.092 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.722 10.520 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.901 10.516 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.040 11.370 -0.625 1.00 0.00 H new ATOM 1149 N ILE A 76 -1.998 11.886 -3.757 1.00 0.00 N ATOM 1150 CA ILE A 76 -0.542 12.006 -3.820 1.00 0.00 C ATOM 1151 C ILE A 76 0.061 12.215 -2.450 1.00 0.00 C ATOM 1152 O ILE A 76 -0.014 13.306 -1.871 1.00 0.00 O ATOM 1153 CB ILE A 76 -0.101 13.148 -4.823 1.00 0.00 C ATOM 1154 CG1 ILE A 76 -0.411 12.839 -6.322 1.00 0.00 C ATOM 1155 CG2 ILE A 76 1.412 13.515 -4.706 1.00 0.00 C ATOM 1156 CD1 ILE A 76 -1.676 11.998 -6.588 1.00 0.00 C ATOM 0 H ILE A 76 -2.482 12.758 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.156 11.062 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.711 13.996 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.508 13.785 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.445 12.318 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.651 14.304 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.625 13.863 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.018 12.635 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.792 11.845 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.582 11.032 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.549 12.522 -6.199 1.00 0.00 H new ATOM 1168 N ALA A 77 0.689 11.179 -1.927 1.00 0.00 N ATOM 1169 CA ALA A 77 1.453 11.266 -0.685 1.00 0.00 C ATOM 1170 C ALA A 77 0.639 11.919 0.411 1.00 0.00 C ATOM 1171 O ALA A 77 -0.576 11.670 0.532 1.00 0.00 O ATOM 1172 CB ALA A 77 2.761 12.013 -1.013 1.00 0.00 C ATOM 0 H ALA A 77 0.687 10.250 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 77 1.698 10.278 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.366 12.101 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.317 11.459 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.527 13.008 -1.392 1.00 0.00 H new ATOM 1236 N LYS A 82 10.416 12.857 2.050 1.00 0.00 N ATOM 1237 CA LYS A 82 11.097 12.145 0.972 1.00 0.00 C ATOM 1238 C LYS A 82 10.125 11.283 0.198 1.00 0.00 C ATOM 1239 O LYS A 82 10.275 11.036 -1.004 1.00 0.00 O ATOM 1240 CB LYS A 82 12.257 11.299 1.567 1.00 0.00 C ATOM 1241 CG LYS A 82 11.802 9.972 2.224 1.00 0.00 C ATOM 1242 CD LYS A 82 12.762 9.417 3.282 1.00 0.00 C ATOM 1243 CE LYS A 82 13.851 8.585 2.592 1.00 0.00 C ATOM 1244 NZ LYS A 82 14.937 8.311 3.550 1.00 0.00 N ATOM 0 HA LYS A 82 11.515 12.867 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.971 11.073 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.784 11.897 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.826 10.127 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.671 9.223 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.214 10.234 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.217 8.802 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.431 7.649 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.241 9.121 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.676 7.747 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.343 9.210 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.559 7.783 4.362 1.00 0.00 H new ATOM 1258 N LYS A 83 9.116 10.789 0.889 1.00 0.00 N ATOM 1259 CA LYS A 83 8.004 10.061 0.281 1.00 0.00 C ATOM 1260 C LYS A 83 6.966 10.979 -0.329 1.00 0.00 C ATOM 1261 O LYS A 83 5.931 10.522 -0.840 1.00 0.00 O ATOM 1262 CB LYS A 83 7.341 9.169 1.368 1.00 0.00 C ATOM 1263 CG LYS A 83 8.310 8.129 1.982 1.00 0.00 C ATOM 1264 CD LYS A 83 7.644 6.848 2.490 1.00 0.00 C ATOM 1265 CE LYS A 83 8.244 6.470 3.851 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.668 6.129 3.681 1.00 0.00 N ATOM 0 H LYS A 83 9.039 10.880 1.902 1.00 0.00 H new ATOM 0 HA LYS A 83 8.405 9.455 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.951 9.806 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.489 8.648 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.055 7.861 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.844 8.596 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.568 6.996 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.794 6.038 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.138 7.299 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.704 5.624 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.024 5.681 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.774 5.470 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.212 6.995 3.490 1.00 0.00 H new ATOM 1280 N LYS A 84 7.187 12.282 -0.282 1.00 0.00 N ATOM 1281 CA LYS A 84 6.290 13.269 -0.914 1.00 0.00 C ATOM 1282 C LYS A 84 6.341 13.331 -2.434 1.00 0.00 C ATOM 1283 O LYS A 84 5.846 14.268 -3.063 1.00 0.00 O ATOM 1284 CB LYS A 84 6.626 14.676 -0.341 1.00 0.00 C ATOM 1285 CG LYS A 84 5.393 15.509 0.081 1.00 0.00 C ATOM 1286 CD LYS A 84 4.853 16.450 -1.004 1.00 0.00 C ATOM 1287 CE LYS A 84 4.887 17.895 -0.487 1.00 0.00 C ATOM 1288 NZ LYS A 84 5.262 18.802 -1.587 1.00 0.00 N ATOM 0 H LYS A 84 7.989 12.698 0.192 1.00 0.00 H new ATOM 0 HA LYS A 84 5.278 12.943 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.280 14.556 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.187 15.235 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.597 14.828 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.654 16.100 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.453 16.362 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.833 16.171 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.911 18.173 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.602 17.983 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.285 19.781 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.202 18.541 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.564 18.725 -2.354 1.00 0.00 H new ATOM 1302 N HIS A 85 6.968 12.331 -3.018 1.00 0.00 N ATOM 1303 CA HIS A 85 6.975 12.135 -4.463 1.00 0.00 C ATOM 1304 C HIS A 85 6.353 10.799 -4.813 1.00 0.00 C ATOM 1305 O HIS A 85 6.733 10.111 -5.766 1.00 0.00 O ATOM 1306 CB HIS A 85 8.447 12.186 -4.905 1.00 0.00 C ATOM 1307 CG HIS A 85 9.111 13.477 -4.523 1.00 0.00 C ATOM 1308 ND1 HIS A 85 9.063 14.665 -5.249 1.00 0.00 N ATOM 1309 CD2 HIS A 85 9.867 13.618 -3.368 1.00 0.00 C ATOM 1310 CE1 HIS A 85 9.812 15.451 -4.453 1.00 0.00 C ATOM 1311 NE2 HIS A 85 10.328 14.908 -3.318 1.00 0.00 N ATOM 0 H HIS A 85 7.493 11.623 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 85 6.392 12.903 -4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.989 11.354 -4.455 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.504 12.056 -5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.059 12.847 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 85 9.998 16.484 -4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.912 15.350 -2.608 1.00 0.00 H new ATOM 1319 N VAL A 86 5.376 10.405 -4.014 1.00 0.00 N ATOM 1320 CA VAL A 86 4.752 9.089 -4.093 1.00 0.00 C ATOM 1321 C VAL A 86 3.289 9.201 -4.454 1.00 0.00 C ATOM 1322 O VAL A 86 2.578 10.112 -4.005 1.00 0.00 O ATOM 1323 CB VAL A 86 4.937 8.334 -2.717 1.00 0.00 C ATOM 1324 CG1 VAL A 86 3.814 8.539 -1.662 1.00 0.00 C ATOM 1325 CG2 VAL A 86 5.091 6.799 -2.852 1.00 0.00 C ATOM 0 H VAL A 86 4.986 10.997 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 86 5.239 8.516 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 86 5.856 8.808 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.052 7.972 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.736 9.598 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.865 8.191 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.213 6.357 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.202 6.385 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.966 6.573 -3.461 1.00 0.00 H new ATOM 1335 N LEU A 87 2.804 8.280 -5.265 1.00 0.00 N ATOM 1336 CA LEU A 87 1.383 8.217 -5.601 1.00 0.00 C ATOM 1337 C LEU A 87 0.697 7.094 -4.858 1.00 0.00 C ATOM 1338 O LEU A 87 1.198 5.970 -4.755 1.00 0.00 O ATOM 1339 CB LEU A 87 1.186 8.071 -7.138 1.00 0.00 C ATOM 1340 CG LEU A 87 2.261 7.281 -7.935 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.600 6.483 -9.067 1.00 0.00 C ATOM 1342 CD2 LEU A 87 3.359 8.189 -8.511 1.00 0.00 C ATOM 0 H LEU A 87 3.372 7.558 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 87 0.921 9.153 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.223 7.590 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.122 9.072 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 87 2.740 6.601 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.363 5.934 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.881 5.781 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.086 7.167 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.082 7.584 -9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.911 8.918 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.863 8.711 -7.698 1.00 0.00 H new ATOM 1354 N ARG A 88 -0.485 7.381 -4.344 1.00 0.00 N ATOM 1355 CA ARG A 88 -1.208 6.452 -3.480 1.00 0.00 C ATOM 1356 C ARG A 88 -2.564 6.109 -4.053 1.00 0.00 C ATOM 1357 O ARG A 88 -3.426 6.973 -4.250 1.00 0.00 O ATOM 1358 CB ARG A 88 -1.333 7.081 -2.064 1.00 0.00 C ATOM 1359 CG ARG A 88 -0.007 7.143 -1.259 1.00 0.00 C ATOM 1360 CD ARG A 88 -0.203 7.680 0.164 1.00 0.00 C ATOM 1361 NE ARG A 88 1.106 8.172 0.664 1.00 0.00 N ATOM 1362 CZ ARG A 88 1.337 8.651 1.879 1.00 0.00 C ATOM 1363 NH1 ARG A 88 0.435 8.759 2.809 1.00 0.00 N ATOM 1364 NH2 ARG A 88 2.536 9.033 2.148 1.00 0.00 N ATOM 0 H ARG A 88 -0.974 8.261 -4.510 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.653 5.516 -3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.728 8.092 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.063 6.509 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.430 6.146 -1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.705 7.777 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.937 8.486 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.587 6.895 0.816 1.00 0.00 H new ATOM 0 HE ARG A 88 1.895 8.139 0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.524 8.465 2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.687 9.138 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.265 8.961 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.757 9.408 3.071 1.00 0.00 H new ATOM 1378 N VAL A 89 -2.765 4.837 -4.348 1.00 0.00 N ATOM 1379 CA VAL A 89 -4.067 4.335 -4.782 1.00 0.00 C ATOM 1380 C VAL A 89 -4.587 3.293 -3.819 1.00 0.00 C ATOM 1381 O VAL A 89 -3.990 2.229 -3.622 1.00 0.00 O ATOM 1382 CB VAL A 89 -3.957 3.759 -6.250 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -3.178 2.424 -6.412 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -5.326 3.523 -6.933 1.00 0.00 C ATOM 0 H VAL A 89 -2.039 4.123 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.781 5.158 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.395 4.563 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.172 2.132 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.153 2.557 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.662 1.646 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.169 3.127 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.906 2.809 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.869 4.466 -6.996 1.00 0.00 H new ATOM 1394 N LYS A 90 -5.728 3.575 -3.218 1.00 0.00 N ATOM 1395 CA LYS A 90 -6.286 2.746 -2.152 1.00 0.00 C ATOM 1396 C LYS A 90 -7.541 2.027 -2.592 1.00 0.00 C ATOM 1397 O LYS A 90 -8.223 2.411 -3.548 1.00 0.00 O ATOM 1398 CB LYS A 90 -6.577 3.640 -0.913 1.00 0.00 C ATOM 1399 CG LYS A 90 -7.350 4.936 -1.267 1.00 0.00 C ATOM 1400 CD LYS A 90 -8.334 5.414 -0.195 1.00 0.00 C ATOM 1401 CE LYS A 90 -7.569 5.700 1.104 1.00 0.00 C ATOM 1402 NZ LYS A 90 -7.548 4.485 1.938 1.00 0.00 N ATOM 0 H LYS A 90 -6.300 4.387 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.555 1.979 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.153 3.067 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.634 3.905 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.629 5.731 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.898 4.773 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.849 6.313 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.097 4.656 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.551 6.016 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.044 6.518 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.787 4.733 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.243 3.802 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.599 4.061 1.910 1.00 0.00 H new ATOM 1416 N LEU A 91 -7.880 0.971 -1.874 1.00 0.00 N ATOM 1417 CA LEU A 91 -9.134 0.245 -2.061 1.00 0.00 C ATOM 1418 C LEU A 91 -10.087 0.534 -0.923 1.00 0.00 C ATOM 1419 O LEU A 91 -9.969 1.536 -0.210 1.00 0.00 O ATOM 1420 CB LEU A 91 -8.910 -1.294 -2.178 1.00 0.00 C ATOM 1421 CG LEU A 91 -7.656 -1.845 -2.917 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -6.365 -1.240 -2.348 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -7.569 -3.384 -2.838 1.00 0.00 C ATOM 0 H LEU A 91 -7.290 0.586 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.567 0.593 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.892 -1.697 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.787 -1.712 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.763 -1.555 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.507 -1.644 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.389 -0.157 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.282 -1.489 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.679 -3.726 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.512 -3.692 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.455 -3.823 -3.297 1.00 0.00 H new ATOM 1435 N ALA A 92 -11.053 -0.349 -0.746 1.00 0.00 N ATOM 1436 CA ALA A 92 -11.946 -0.297 0.408 1.00 0.00 C ATOM 1437 C ALA A 92 -11.978 -1.624 1.131 1.00 0.00 C ATOM 1438 O ALA A 92 -12.991 -2.011 1.730 1.00 0.00 O ATOM 1439 CB ALA A 92 -13.333 0.141 -0.093 1.00 0.00 C ATOM 0 H ALA A 92 -11.244 -1.118 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.588 0.426 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.025 0.190 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.258 1.124 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.700 -0.580 -0.824 1.00 0.00 H new ATOM 1445 N ASN A 93 -10.875 -2.349 1.097 1.00 0.00 N ATOM 1446 CA ASN A 93 -10.729 -3.580 1.872 1.00 0.00 C ATOM 1447 C ASN A 93 -9.771 -3.379 3.022 1.00 0.00 C ATOM 1448 O ASN A 93 -9.891 -3.992 4.089 1.00 0.00 O ATOM 1449 CB ASN A 93 -10.243 -4.734 0.945 1.00 0.00 C ATOM 1450 CG ASN A 93 -8.735 -4.841 0.697 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -7.933 -5.010 1.604 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -8.292 -4.749 -0.528 1.00 0.00 N ATOM 0 H ASN A 93 -10.057 -2.108 0.537 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.700 -3.849 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.583 -5.677 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.738 -4.624 -0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.292 -4.818 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.946 -4.608 -1.298 1.00 0.00 H new ATOM 1459 N GLY A 94 -8.783 -2.528 2.814 1.00 0.00 N ATOM 1460 CA GLY A 94 -7.792 -2.225 3.842 1.00 0.00 C ATOM 1461 C GLY A 94 -6.413 -2.008 3.269 1.00 0.00 C ATOM 1462 O GLY A 94 -5.545 -1.385 3.912 1.00 0.00 O ATOM 0 H GLY A 94 -8.641 -2.028 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.100 -1.333 4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.758 -3.043 4.562 1.00 0.00 H new ATOM 1466 N ALA A 95 -6.156 -2.486 2.067 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.811 -2.449 1.492 1.00 0.00 C ATOM 1468 C ALA A 95 -4.542 -1.128 0.811 1.00 0.00 C ATOM 1469 O ALA A 95 -5.454 -0.437 0.343 1.00 0.00 O ATOM 1470 CB ALA A 95 -4.686 -3.647 0.535 1.00 0.00 C ATOM 0 H ALA A 95 -6.860 -2.908 1.461 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.054 -2.530 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.693 -3.652 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.838 -4.573 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.438 -3.566 -0.250 1.00 0.00 H new ATOM 1476 N LEU A 96 -3.278 -0.752 0.749 1.00 0.00 N ATOM 1477 CA LEU A 96 -2.853 0.429 0.000 1.00 0.00 C ATOM 1478 C LEU A 96 -1.824 0.081 -1.051 1.00 0.00 C ATOM 1479 O LEU A 96 -1.127 -0.937 -0.970 1.00 0.00 O ATOM 1480 CB LEU A 96 -2.301 1.516 0.967 1.00 0.00 C ATOM 1481 CG LEU A 96 -3.078 1.807 2.278 1.00 0.00 C ATOM 1482 CD1 LEU A 96 -2.699 3.160 2.905 1.00 0.00 C ATOM 1483 CD2 LEU A 96 -4.590 1.764 2.019 1.00 0.00 C ATOM 0 H LEU A 96 -2.517 -1.249 1.211 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.727 0.828 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.285 1.231 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.231 2.450 0.410 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.799 1.029 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.273 3.311 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.635 3.167 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.921 3.962 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.124 1.970 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.853 2.515 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.868 0.776 1.652 1.00 0.00 H new ATOM 1495 N PHE A 97 -1.725 0.916 -2.071 1.00 0.00 N ATOM 1496 CA PHE A 97 -0.676 0.791 -3.081 1.00 0.00 C ATOM 1497 C PHE A 97 0.010 2.122 -3.298 1.00 0.00 C ATOM 1498 O PHE A 97 -0.352 2.908 -4.179 1.00 0.00 O ATOM 1499 CB PHE A 97 -1.272 0.290 -4.435 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.215 -0.919 -4.347 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.839 -2.065 -3.639 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -3.488 -0.856 -4.925 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.734 -3.122 -3.492 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -4.366 -1.929 -4.812 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.987 -3.064 -4.100 1.00 0.00 C ATOM 0 H PHE A 97 -2.363 1.697 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 97 0.052 0.064 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.813 1.115 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.447 0.035 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.852 -2.131 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.790 0.031 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.457 -3.987 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.340 -1.882 -5.276 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.665 -3.901 -4.019 1.00 0.00 H new ATOM 1515 N LEU A 98 1.001 2.409 -2.472 1.00 0.00 N ATOM 1516 CA LEU A 98 1.800 3.629 -2.571 1.00 0.00 C ATOM 1517 C LEU A 98 3.017 3.407 -3.436 1.00 0.00 C ATOM 1518 O LEU A 98 3.742 2.407 -3.268 1.00 0.00 O ATOM 1519 CB LEU A 98 2.207 4.129 -1.155 1.00 0.00 C ATOM 1520 CG LEU A 98 1.084 4.357 -0.107 1.00 0.00 C ATOM 1521 CD1 LEU A 98 0.583 3.047 0.522 1.00 0.00 C ATOM 1522 CD2 LEU A 98 1.577 5.304 0.996 1.00 0.00 C ATOM 0 H LEU A 98 1.280 1.799 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 98 1.191 4.400 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.911 3.409 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.746 5.069 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 98 0.243 4.804 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.201 3.268 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.184 2.398 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.410 2.545 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.782 5.457 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.444 4.866 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.855 6.262 0.556 1.00 0.00 H new ATOM 1534 N LEU A 99 3.310 4.313 -4.350 1.00 0.00 N ATOM 1535 CA LEU A 99 4.359 4.104 -5.350 1.00 0.00 C ATOM 1536 C LEU A 99 5.508 5.077 -5.229 1.00 0.00 C ATOM 1537 O LEU A 99 5.387 6.266 -5.559 1.00 0.00 O ATOM 1538 CB LEU A 99 3.753 4.188 -6.784 1.00 0.00 C ATOM 1539 CG LEU A 99 2.227 3.956 -6.961 1.00 0.00 C ATOM 1540 CD1 LEU A 99 1.923 3.624 -8.432 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.686 2.836 -6.060 1.00 0.00 C ATOM 0 H LEU A 99 2.835 5.212 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 99 4.766 3.110 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.987 5.174 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.273 3.460 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 99 1.726 4.878 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.852 3.462 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.239 4.453 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.462 2.722 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.615 2.720 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.194 1.901 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.864 3.091 -5.015 1.00 0.00 H new ATOM 1553 N GLN A 100 6.650 4.593 -4.784 1.00 0.00 N ATOM 1554 CA GLN A 100 7.884 5.376 -4.822 1.00 0.00 C ATOM 1555 C GLN A 100 8.743 4.868 -5.963 1.00 0.00 C ATOM 1556 O GLN A 100 9.624 4.019 -5.791 1.00 0.00 O ATOM 1557 CB GLN A 100 8.619 5.285 -3.466 1.00 0.00 C ATOM 1558 CG GLN A 100 9.818 6.281 -3.286 1.00 0.00 C ATOM 1559 CD GLN A 100 10.314 6.635 -1.880 1.00 0.00 C ATOM 1560 OE1 GLN A 100 10.036 7.803 -1.358 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 10.994 5.850 -1.235 1.00 0.00 N flip ATOM 0 H GLN A 100 6.757 3.659 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 100 7.659 6.429 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.898 5.462 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.991 4.268 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.666 5.871 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.541 7.214 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.222 4.935 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.333 6.110 -0.309 1.00 0.00 H new ATOM 1570 N ALA A 101 8.495 5.402 -7.144 1.00 0.00 N ATOM 1571 CA ALA A 101 9.097 4.890 -8.371 1.00 0.00 C ATOM 1572 C ALA A 101 10.526 5.358 -8.547 1.00 0.00 C ATOM 1573 O ALA A 101 11.156 5.940 -7.659 1.00 0.00 O ATOM 1574 CB ALA A 101 8.187 5.309 -9.541 1.00 0.00 C ATOM 0 H ALA A 101 7.874 6.199 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 101 9.166 3.803 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.607 4.942 -10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.193 4.885 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.116 6.396 -9.576 1.00 0.00 H new ATOM 1580 N HIS A 102 11.063 5.074 -9.722 1.00 0.00 N ATOM 1581 CA HIS A 102 12.473 5.299 -10.022 1.00 0.00 C ATOM 1582 C HIS A 102 12.767 6.752 -10.309 1.00 0.00 C ATOM 1583 O HIS A 102 13.146 7.522 -9.408 1.00 0.00 O ATOM 1584 CB HIS A 102 12.785 4.440 -11.262 1.00 0.00 C ATOM 1585 CG HIS A 102 14.076 4.826 -11.922 1.00 0.00 C ATOM 1586 ND1 HIS A 102 14.362 4.711 -13.281 1.00 0.00 N ATOM 1587 CD2 HIS A 102 15.151 5.353 -11.219 1.00 0.00 C ATOM 1588 CE1 HIS A 102 15.623 5.184 -13.291 1.00 0.00 C ATOM 1589 NE2 HIS A 102 16.165 5.589 -12.110 1.00 0.00 N ATOM 0 H HIS A 102 10.534 4.679 -10.500 1.00 0.00 H new ATOM 0 HA HIS A 102 13.090 5.027 -9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 102 12.830 3.391 -10.970 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.971 4.537 -11.980 1.00 0.00 H new ATOM 0 HD1 HIS A 102 13.783 4.368 -14.047 1.00 0.00 H new ATOM 0 HD2 HIS A 102 15.183 5.544 -10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 102 16.188 5.240 -14.210 1.00 0.00 H new ATOM 1597 N ASP A 103 12.589 7.181 -11.544 1.00 0.00 N ATOM 1598 CA ASP A 103 13.010 8.513 -11.966 1.00 0.00 C ATOM 1599 C ASP A 103 11.900 9.523 -11.780 1.00 0.00 C ATOM 1600 O ASP A 103 10.966 9.331 -10.994 1.00 0.00 O ATOM 1601 CB ASP A 103 13.505 8.473 -13.437 1.00 0.00 C ATOM 1602 CG ASP A 103 14.966 8.877 -13.701 1.00 0.00 C ATOM 1603 OD1 ASP A 103 15.628 9.315 -12.589 1.00 0.00 O ATOM 1604 OD2 ASP A 103 15.471 8.821 -14.817 1.00 0.00 O ATOM 0 H ASP A 103 12.153 6.626 -12.280 1.00 0.00 H new ATOM 0 HA ASP A 103 13.840 8.832 -11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.362 7.460 -13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.862 9.126 -14.027 1.00 0.00 H new ATOM 1609 N ASP A 104 11.985 10.607 -12.524 1.00 0.00 N ATOM 1610 CA ASP A 104 10.910 11.593 -12.592 1.00 0.00 C ATOM 1611 C ASP A 104 9.966 11.269 -13.724 1.00 0.00 C ATOM 1612 O ASP A 104 8.812 11.725 -13.753 1.00 0.00 O ATOM 1613 CB ASP A 104 11.508 13.023 -12.698 1.00 0.00 C ATOM 1614 CG ASP A 104 10.528 14.201 -12.751 1.00 0.00 C ATOM 1615 OD1 ASP A 104 9.970 14.650 -11.759 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.369 14.706 -14.012 1.00 0.00 O ATOM 0 H ASP A 104 12.796 10.835 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 104 10.321 11.557 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.169 13.174 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.129 13.062 -13.593 1.00 0.00 H new ATOM 1621 N THR A 105 10.436 10.498 -14.688 1.00 0.00 N ATOM 1622 CA THR A 105 9.552 9.986 -15.740 1.00 0.00 C ATOM 1623 C THR A 105 8.626 8.955 -15.132 1.00 0.00 C ATOM 1624 O THR A 105 7.409 9.147 -15.042 1.00 0.00 O ATOM 1625 CB THR A 105 10.373 9.403 -16.939 1.00 0.00 C ATOM 1626 OG1 THR A 105 11.552 10.169 -17.153 1.00 0.00 O ATOM 1627 CG2 THR A 105 9.667 9.389 -18.312 1.00 0.00 C ATOM 0 H THR A 105 11.411 10.211 -14.772 1.00 0.00 H new ATOM 0 HA THR A 105 8.956 10.801 -16.149 1.00 0.00 H new ATOM 0 HB THR A 105 10.547 8.373 -16.626 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.055 9.792 -17.904 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.335 8.963 -19.060 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.761 8.786 -18.249 1.00 0.00 H new ATOM 0 HG23 THR A 105 9.405 10.408 -18.597 1.00 0.00 H new ATOM 1635 N GLU A 106 9.209 7.862 -14.682 1.00 0.00 N ATOM 1636 CA GLU A 106 8.495 6.852 -13.908 1.00 0.00 C ATOM 1637 C GLU A 106 7.633 7.459 -12.830 1.00 0.00 C ATOM 1638 O GLU A 106 6.467 7.022 -12.652 1.00 0.00 O ATOM 1639 CB GLU A 106 9.549 5.892 -13.277 1.00 0.00 C ATOM 1640 CG GLU A 106 9.834 4.566 -14.061 1.00 0.00 C ATOM 1641 CD GLU A 106 11.282 4.138 -14.299 1.00 0.00 C ATOM 1642 OE1 GLU A 106 12.035 5.073 -14.942 1.00 0.00 O ATOM 1643 OE2 GLU A 106 11.723 3.051 -13.943 1.00 0.00 O ATOM 0 H GLU A 106 10.193 7.644 -14.840 1.00 0.00 H new ATOM 0 HA GLU A 106 7.824 6.310 -14.574 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.488 6.436 -13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.217 5.631 -12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.336 3.756 -13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.352 4.651 -15.035 1.00 0.00 H new ATOM 1650 N MET A 107 8.121 8.452 -12.110 1.00 0.00 N ATOM 1651 CA MET A 107 7.376 8.938 -10.939 1.00 0.00 C ATOM 1652 C MET A 107 5.993 9.388 -11.353 1.00 0.00 C ATOM 1653 O MET A 107 4.948 8.800 -11.041 1.00 0.00 O ATOM 1654 CB MET A 107 8.138 10.089 -10.229 1.00 0.00 C ATOM 1655 CG MET A 107 8.777 9.748 -8.866 1.00 0.00 C ATOM 1656 SD MET A 107 9.316 11.260 -8.051 1.00 0.00 S ATOM 1657 CE MET A 107 10.250 10.521 -6.705 1.00 0.00 C ATOM 0 H MET A 107 9.001 8.932 -12.298 1.00 0.00 H new ATOM 0 HA MET A 107 7.280 8.117 -10.229 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.924 10.442 -10.897 1.00 0.00 H new ATOM 0 HB3 MET A 107 7.446 10.919 -10.084 1.00 0.00 H new ATOM 0 HG2 MET A 107 8.058 9.222 -8.238 1.00 0.00 H new ATOM 0 HG3 MET A 107 9.625 9.079 -9.009 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.670 11.308 -6.078 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.590 9.893 -6.106 1.00 0.00 H new ATOM 0 HE3 MET A 107 11.057 9.913 -7.113 1.00 0.00 H new ATOM 1667 N SER A 108 5.969 10.468 -12.124 1.00 0.00 N ATOM 1668 CA SER A 108 4.729 11.031 -12.647 1.00 0.00 C ATOM 1669 C SER A 108 4.086 10.117 -13.669 1.00 0.00 C ATOM 1670 O SER A 108 2.906 10.319 -14.020 1.00 0.00 O ATOM 1671 CB SER A 108 4.975 12.445 -13.233 1.00 0.00 C ATOM 1672 OG SER A 108 6.026 12.471 -14.204 1.00 0.00 O ATOM 0 H SER A 108 6.807 10.978 -12.404 1.00 0.00 H new ATOM 0 HA SER A 108 4.030 11.124 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.055 12.808 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.219 13.131 -12.422 1.00 0.00 H new ATOM 0 HG SER A 108 6.885 12.313 -13.760 1.00 0.00 H new ATOM 1678 N GLN A 109 4.790 9.132 -14.193 1.00 0.00 N ATOM 1679 CA GLN A 109 4.189 8.149 -15.100 1.00 0.00 C ATOM 1680 C GLN A 109 3.271 7.211 -14.353 1.00 0.00 C ATOM 1681 O GLN A 109 2.080 7.086 -14.672 1.00 0.00 O ATOM 1682 CB GLN A 109 5.311 7.365 -15.815 1.00 0.00 C ATOM 1683 CG GLN A 109 5.839 7.983 -17.152 1.00 0.00 C ATOM 1684 CD GLN A 109 4.907 8.029 -18.371 1.00 0.00 C ATOM 1685 OE1 GLN A 109 4.630 7.016 -18.994 1.00 0.00 O ATOM 1686 NE2 GLN A 109 4.415 9.173 -18.772 1.00 0.00 N ATOM 0 H GLN A 109 5.783 8.984 -14.011 1.00 0.00 H new ATOM 0 HA GLN A 109 3.586 8.672 -15.842 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.151 7.265 -15.128 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.948 6.358 -16.022 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.154 9.005 -16.940 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.731 7.428 -17.441 1.00 0.00 H new ATOM 0 HE21 GLN A 109 4.636 10.029 -18.264 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.811 9.209 -19.593 1.00 0.00 H new ATOM 1695 N TRP A 110 3.797 6.507 -13.370 1.00 0.00 N ATOM 1696 CA TRP A 110 3.006 5.685 -12.458 1.00 0.00 C ATOM 1697 C TRP A 110 1.768 6.419 -12.002 1.00 0.00 C ATOM 1698 O TRP A 110 0.713 5.808 -11.774 1.00 0.00 O ATOM 1699 CB TRP A 110 3.881 5.321 -11.228 1.00 0.00 C ATOM 1700 CG TRP A 110 4.761 4.080 -11.416 1.00 0.00 C ATOM 1701 CD1 TRP A 110 6.152 4.053 -11.645 1.00 0.00 C ATOM 1702 CD2 TRP A 110 4.361 2.756 -11.372 1.00 0.00 C ATOM 1703 NE1 TRP A 110 6.637 2.733 -11.736 1.00 0.00 N ATOM 1704 CE2 TRP A 110 5.508 1.947 -11.564 1.00 0.00 C ATOM 1705 CE3 TRP A 110 3.077 2.165 -11.213 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 5.390 0.540 -11.544 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 2.993 0.774 -11.177 1.00 0.00 C ATOM 1708 CH2 TRP A 110 4.134 -0.031 -11.312 1.00 0.00 C ATOM 0 H TRP A 110 4.798 6.486 -13.175 1.00 0.00 H new ATOM 0 HA TRP A 110 2.690 4.781 -12.979 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.520 6.171 -10.989 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.229 5.161 -10.369 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.769 4.934 -11.739 1.00 0.00 H new ATOM 0 HE1 TRP A 110 7.597 2.427 -11.892 1.00 0.00 H new ATOM 0 HE3 TRP A 110 2.192 2.777 -11.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.256 -0.085 -11.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.029 0.306 -11.042 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.042 -1.104 -11.236 1.00 0.00 H new ATOM 1719 N VAL A 111 1.864 7.728 -11.833 1.00 0.00 N ATOM 1720 CA VAL A 111 0.719 8.512 -11.364 1.00 0.00 C ATOM 1721 C VAL A 111 -0.292 8.725 -12.468 1.00 0.00 C ATOM 1722 O VAL A 111 -1.504 8.529 -12.277 1.00 0.00 O ATOM 1723 CB VAL A 111 1.224 9.890 -10.780 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.443 11.041 -11.802 1.00 0.00 C ATOM 1725 CG2 VAL A 111 0.298 10.490 -9.694 1.00 0.00 C ATOM 0 H VAL A 111 2.710 8.270 -12.009 1.00 0.00 H new ATOM 0 HA VAL A 111 0.216 7.956 -10.573 1.00 0.00 H new ATOM 0 HB VAL A 111 2.186 9.574 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.789 11.932 -11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.190 10.739 -12.536 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.504 11.261 -12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.713 11.435 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.692 10.663 -10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.220 9.795 -8.858 1.00 0.00 H new ATOM 1735 N THR A 112 0.160 9.143 -13.637 1.00 0.00 N ATOM 1736 CA THR A 112 -0.716 9.244 -14.806 1.00 0.00 C ATOM 1737 C THR A 112 -1.410 7.928 -15.076 1.00 0.00 C ATOM 1738 O THR A 112 -2.588 7.867 -15.445 1.00 0.00 O ATOM 1739 CB THR A 112 0.079 9.707 -16.074 1.00 0.00 C ATOM 1740 OG1 THR A 112 1.458 9.391 -15.949 1.00 0.00 O ATOM 1741 CG2 THR A 112 0.054 11.221 -16.377 1.00 0.00 C ATOM 0 H THR A 112 1.127 9.419 -13.809 1.00 0.00 H new ATOM 0 HA THR A 112 -1.472 9.997 -14.584 1.00 0.00 H new ATOM 0 HB THR A 112 -0.433 9.177 -16.877 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.909 10.093 -15.435 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.637 11.422 -17.276 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.975 11.544 -16.532 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.483 11.767 -15.537 1.00 0.00 H new ATOM 1749 N SER A 113 -0.681 6.846 -14.871 1.00 0.00 N ATOM 1750 CA SER A 113 -1.189 5.495 -15.096 1.00 0.00 C ATOM 1751 C SER A 113 -2.233 5.160 -14.052 1.00 0.00 C ATOM 1752 O SER A 113 -3.412 4.926 -14.331 1.00 0.00 O ATOM 1753 CB SER A 113 -0.015 4.479 -15.141 1.00 0.00 C ATOM 1754 OG SER A 113 0.265 4.023 -16.469 1.00 0.00 O ATOM 0 H SER A 113 0.284 6.874 -14.543 1.00 0.00 H new ATOM 0 HA SER A 113 -1.682 5.436 -16.066 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.879 4.943 -14.724 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.255 3.623 -14.510 1.00 0.00 H new ATOM 0 HG SER A 113 -0.519 3.557 -16.827 1.00 0.00 H new ATOM 1760 N LEU A 114 -1.797 5.169 -12.805 1.00 0.00 N ATOM 1761 CA LEU A 114 -2.665 5.018 -11.643 1.00 0.00 C ATOM 1762 C LEU A 114 -3.934 5.826 -11.792 1.00 0.00 C ATOM 1763 O LEU A 114 -5.031 5.377 -11.425 1.00 0.00 O ATOM 1764 CB LEU A 114 -1.893 5.413 -10.349 1.00 0.00 C ATOM 1765 CG LEU A 114 -0.974 4.345 -9.696 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.767 4.589 -8.190 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -1.576 2.943 -9.904 1.00 0.00 C ATOM 0 H LEU A 114 -0.813 5.283 -12.564 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.960 3.971 -11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.281 6.286 -10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.626 5.724 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.001 4.419 -10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.117 3.815 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.307 5.566 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.730 4.560 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.928 2.197 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.563 2.899 -9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.664 2.739 -10.971 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.830 7.016 -12.353 1.00 0.00 N ATOM 1780 CA LYS A 115 -5.002 7.858 -12.593 1.00 0.00 C ATOM 1781 C LYS A 115 -6.018 7.142 -13.451 1.00 0.00 C ATOM 1782 O LYS A 115 -7.144 6.853 -13.032 1.00 0.00 O ATOM 1783 CB LYS A 115 -4.562 9.193 -13.254 1.00 0.00 C ATOM 1784 CG LYS A 115 -5.637 10.306 -13.154 1.00 0.00 C ATOM 1785 CD LYS A 115 -5.599 11.348 -14.275 1.00 0.00 C ATOM 1786 CE LYS A 115 -5.147 12.696 -13.696 1.00 0.00 C ATOM 1787 NZ LYS A 115 -3.969 12.489 -12.836 1.00 0.00 N ATOM 0 H LYS A 115 -2.947 7.428 -12.654 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.477 8.077 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.643 9.540 -12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.331 9.013 -14.304 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.622 9.839 -13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.520 10.818 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.915 11.029 -15.061 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.585 11.446 -14.730 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.905 13.388 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.956 13.147 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.389 13.352 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.280 12.272 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.405 11.697 -13.204 1.00 0.00 H new ATOM 1801 N ALA A 116 -5.641 6.861 -14.686 1.00 0.00 N ATOM 1802 CA ALA A 116 -6.527 6.180 -15.629 1.00 0.00 C ATOM 1803 C ALA A 116 -6.972 4.831 -15.108 1.00 0.00 C ATOM 1804 O ALA A 116 -7.971 4.262 -15.594 1.00 0.00 O ATOM 1805 CB ALA A 116 -5.780 6.074 -16.971 1.00 0.00 C ATOM 0 H ALA A 116 -4.723 7.093 -15.066 1.00 0.00 H new ATOM 0 HA ALA A 116 -7.446 6.750 -15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -6.413 5.570 -17.701 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -5.536 7.073 -17.331 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.861 5.504 -16.832 1.00 0.00 H new ATOM 1811 N GLN A 117 -6.268 4.265 -14.148 1.00 0.00 N ATOM 1812 CA GLN A 117 -6.539 2.901 -13.690 1.00 0.00 C ATOM 1813 C GLN A 117 -7.668 2.871 -12.683 1.00 0.00 C ATOM 1814 O GLN A 117 -8.628 2.092 -12.816 1.00 0.00 O ATOM 1815 CB GLN A 117 -5.232 2.324 -13.101 1.00 0.00 C ATOM 1816 CG GLN A 117 -4.105 1.948 -14.121 1.00 0.00 C ATOM 1817 CD GLN A 117 -4.062 2.543 -15.533 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -5.067 2.638 -16.218 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -2.918 2.943 -16.035 1.00 0.00 N ATOM 0 H GLN A 117 -5.498 4.725 -13.662 1.00 0.00 H new ATOM 0 HA GLN A 117 -6.864 2.286 -14.529 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -4.826 3.051 -12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -5.483 1.432 -12.527 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.155 2.194 -13.646 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.133 0.864 -14.236 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.065 2.873 -15.480 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.881 3.324 -16.980 1.00 0.00 H new ATOM 1828 N SER A 118 -7.587 3.682 -11.643 1.00 0.00 N ATOM 1829 CA SER A 118 -8.676 3.863 -10.681 1.00 0.00 C ATOM 1830 C SER A 118 -9.924 4.341 -11.382 1.00 0.00 C ATOM 1831 O SER A 118 -10.000 4.392 -12.623 1.00 0.00 O ATOM 1832 CB SER A 118 -8.253 4.828 -9.547 1.00 0.00 C ATOM 1833 OG SER A 118 -7.811 4.144 -8.369 1.00 0.00 O ATOM 0 H SER A 118 -6.760 4.241 -11.435 1.00 0.00 H new ATOM 0 HA SER A 118 -8.900 2.900 -10.222 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.453 5.475 -9.907 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.094 5.473 -9.293 1.00 0.00 H new ATOM 0 HG SER A 118 -7.935 4.723 -7.588 1.00 0.00 H new