USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 966 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 62 THR OG1 : rot 83:sc= 0.359 USER MOD Set 1.2: A 82 ASN : amide:sc= -3.47! C(o=-3.1!,f=-2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0661 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 135:sc= 0.363 USER MOD Single : A 29 GLN : amide:sc= -0.937 K(o=-0.94,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.037 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.0267 K(o=0.027,f=-1.1) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.575 K(o=0.58,f=-5.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.6) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0477 USER MOD Single : A 60 CYS SG : rot 23:sc= 0.107 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 70:sc=-0.000798 USER MOD Single : A 73 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-2.1) USER MOD Single : A 77 GLN : amide:sc= -0.0472 K(o=-0.047,f=-1.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -2.54 K(o=-2.5,f=-1.3) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 93 THR OG1 : rot 76:sc= 0.282 USER MOD Single : A 96 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.93) USER MOD Single : A 100 HIS : no HD1:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -145:sc= -0.349 (180deg=-1.96!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -125:sc= -0.683 (180deg=-2.73) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= -0.128 (180deg=-0.882) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.021 46.494 -6.961 1.00 0.00 N ATOM 2 CA GLY A 1 -15.138 45.717 -7.811 1.00 0.00 C ATOM 3 C GLY A 1 -14.574 44.501 -7.103 1.00 0.00 C ATOM 4 O GLY A 1 -15.217 43.453 -7.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.380 47.314 -7.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.820 45.902 -6.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.497 46.824 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.683 45.396 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.317 46.349 -8.151 1.00 0.00 H new ATOM 8 N SER A 2 -13.368 44.640 -6.562 1.00 0.00 N ATOM 9 CA SER A 2 -12.715 43.542 -5.859 1.00 0.00 C ATOM 10 C SER A 2 -11.556 44.054 -5.009 1.00 0.00 C ATOM 11 O SER A 2 -11.138 45.205 -5.138 1.00 0.00 O ATOM 12 CB SER A 2 -12.208 42.500 -6.858 1.00 0.00 C ATOM 13 OG SER A 2 -11.763 41.330 -6.192 1.00 0.00 O ATOM 0 H SER A 2 -12.823 45.502 -6.597 1.00 0.00 H new ATOM 0 HA SER A 2 -13.448 43.077 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.004 42.244 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.392 42.921 -7.445 1.00 0.00 H new ATOM 0 HG SER A 2 -11.446 40.679 -6.852 1.00 0.00 H new ATOM 19 N SER A 3 -11.042 43.190 -4.139 1.00 0.00 N ATOM 20 CA SER A 3 -9.934 43.555 -3.264 1.00 0.00 C ATOM 21 C SER A 3 -8.690 42.734 -3.591 1.00 0.00 C ATOM 22 O SER A 3 -7.649 43.281 -3.953 1.00 0.00 O ATOM 23 CB SER A 3 -10.324 43.349 -1.799 1.00 0.00 C ATOM 24 OG SER A 3 -9.472 44.082 -0.936 1.00 0.00 O ATOM 0 H SER A 3 -11.375 42.233 -4.021 1.00 0.00 H new ATOM 0 HA SER A 3 -9.706 44.608 -3.427 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.357 43.662 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.272 42.289 -1.551 1.00 0.00 H new ATOM 0 HG SER A 3 -9.743 43.935 -0.006 1.00 0.00 H new ATOM 30 N GLY A 4 -8.807 41.416 -3.460 1.00 0.00 N ATOM 31 CA GLY A 4 -7.686 40.540 -3.745 1.00 0.00 C ATOM 32 C GLY A 4 -6.848 40.253 -2.516 1.00 0.00 C ATOM 33 O GLY A 4 -6.490 41.166 -1.772 1.00 0.00 O ATOM 0 H GLY A 4 -9.658 40.940 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.058 39.601 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.058 40.996 -4.511 1.00 0.00 H new ATOM 37 N SER A 5 -6.535 38.979 -2.299 1.00 0.00 N ATOM 38 CA SER A 5 -5.738 38.573 -1.148 1.00 0.00 C ATOM 39 C SER A 5 -4.872 37.363 -1.485 1.00 0.00 C ATOM 40 O SER A 5 -5.335 36.411 -2.114 1.00 0.00 O ATOM 41 CB SER A 5 -6.647 38.248 0.039 1.00 0.00 C ATOM 42 OG SER A 5 -5.919 37.629 1.085 1.00 0.00 O ATOM 0 H SER A 5 -6.822 38.211 -2.906 1.00 0.00 H new ATOM 0 HA SER A 5 -5.084 39.403 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.111 39.163 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.453 37.590 -0.286 1.00 0.00 H new ATOM 0 HG SER A 5 -6.522 37.433 1.832 1.00 0.00 H new ATOM 48 N SER A 6 -3.613 37.408 -1.063 1.00 0.00 N ATOM 49 CA SER A 6 -2.680 36.317 -1.324 1.00 0.00 C ATOM 50 C SER A 6 -3.003 35.107 -0.453 1.00 0.00 C ATOM 51 O SER A 6 -3.343 34.038 -0.958 1.00 0.00 O ATOM 52 CB SER A 6 -1.243 36.775 -1.068 1.00 0.00 C ATOM 53 OG SER A 6 -0.765 37.577 -2.135 1.00 0.00 O ATOM 0 H SER A 6 -3.215 38.187 -0.539 1.00 0.00 H new ATOM 0 HA SER A 6 -2.781 36.027 -2.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.198 37.339 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.597 35.905 -0.945 1.00 0.00 H new ATOM 0 HG SER A 6 0.155 37.858 -1.946 1.00 0.00 H new ATOM 59 N GLY A 7 -2.893 35.284 0.860 1.00 0.00 N ATOM 60 CA GLY A 7 -3.175 34.199 1.782 1.00 0.00 C ATOM 61 C GLY A 7 -2.220 33.034 1.616 1.00 0.00 C ATOM 62 O GLY A 7 -2.344 32.250 0.675 1.00 0.00 O ATOM 0 H GLY A 7 -2.614 36.160 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.115 34.571 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.197 33.852 1.628 1.00 0.00 H new ATOM 66 N GLU A 8 -1.262 32.921 2.531 1.00 0.00 N ATOM 67 CA GLU A 8 -0.280 31.844 2.480 1.00 0.00 C ATOM 68 C GLU A 8 -0.968 30.482 2.449 1.00 0.00 C ATOM 69 O GLU A 8 -2.081 30.326 2.949 1.00 0.00 O ATOM 70 CB GLU A 8 0.662 31.925 3.683 1.00 0.00 C ATOM 71 CG GLU A 8 1.841 32.859 3.471 1.00 0.00 C ATOM 72 CD GLU A 8 2.777 32.378 2.380 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.453 32.576 1.190 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.834 31.804 2.716 1.00 0.00 O ATOM 0 H GLU A 8 -1.145 33.562 3.316 1.00 0.00 H new ATOM 0 HA GLU A 8 0.301 31.959 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.098 32.258 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.036 30.926 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.472 33.852 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.396 32.955 4.404 1.00 0.00 H new ATOM 81 N GLU A 9 -0.295 29.500 1.857 1.00 0.00 N ATOM 82 CA GLU A 9 -0.842 28.152 1.759 1.00 0.00 C ATOM 83 C GLU A 9 0.090 27.138 2.417 1.00 0.00 C ATOM 84 O GLU A 9 1.294 27.126 2.159 1.00 0.00 O ATOM 85 CB GLU A 9 -1.070 27.775 0.294 1.00 0.00 C ATOM 86 CG GLU A 9 -2.117 28.632 -0.399 1.00 0.00 C ATOM 87 CD GLU A 9 -2.293 28.270 -1.861 1.00 0.00 C ATOM 88 OE1 GLU A 9 -1.408 28.620 -2.669 1.00 0.00 O ATOM 89 OE2 GLU A 9 -3.315 27.636 -2.197 1.00 0.00 O ATOM 0 H GLU A 9 0.628 29.613 1.439 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.797 28.136 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.127 27.861 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.374 26.730 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.071 28.521 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.832 29.681 -0.320 1.00 0.00 H new ATOM 96 N ASP A 10 -0.476 26.289 3.268 1.00 0.00 N ATOM 97 CA ASP A 10 0.303 25.270 3.963 1.00 0.00 C ATOM 98 C ASP A 10 -0.207 23.872 3.626 1.00 0.00 C ATOM 99 O ASP A 10 -1.397 23.677 3.382 1.00 0.00 O ATOM 100 CB ASP A 10 0.245 25.497 5.474 1.00 0.00 C ATOM 101 CG ASP A 10 0.405 26.957 5.847 1.00 0.00 C ATOM 102 OD1 ASP A 10 1.561 27.413 5.978 1.00 0.00 O ATOM 103 OD2 ASP A 10 -0.625 27.645 6.010 1.00 0.00 O ATOM 0 H ASP A 10 -1.471 26.286 3.493 1.00 0.00 H new ATOM 0 HA ASP A 10 1.338 25.349 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.707 25.129 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.029 24.914 5.956 1.00 0.00 H new ATOM 108 N TRP A 11 0.703 22.904 3.613 1.00 0.00 N ATOM 109 CA TRP A 11 0.345 21.524 3.304 1.00 0.00 C ATOM 110 C TRP A 11 1.167 20.549 4.139 1.00 0.00 C ATOM 111 O TRP A 11 2.396 20.541 4.071 1.00 0.00 O ATOM 112 CB TRP A 11 0.555 21.242 1.815 1.00 0.00 C ATOM 113 CG TRP A 11 -0.360 20.184 1.277 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.192 19.375 1.997 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.533 19.819 -0.097 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.872 18.529 1.155 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.486 18.782 -0.135 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.023 20.267 -1.298 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.892 18.189 -1.328 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.381 19.677 -2.480 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.331 18.648 -2.488 1.00 0.00 C ATOM 0 H TRP A 11 1.693 23.049 3.813 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.708 21.385 3.548 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.404 22.164 1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.588 20.936 1.653 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.300 19.397 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.553 17.827 1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.756 21.060 -1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.624 17.395 -1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.043 20.015 -3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.627 18.208 -3.429 1.00 0.00 H new ATOM 132 N VAL A 12 0.481 19.728 4.928 1.00 0.00 N ATOM 133 CA VAL A 12 1.148 18.747 5.776 1.00 0.00 C ATOM 134 C VAL A 12 1.642 17.559 4.958 1.00 0.00 C ATOM 135 O VAL A 12 2.608 16.892 5.331 1.00 0.00 O ATOM 136 CB VAL A 12 0.213 18.238 6.888 1.00 0.00 C ATOM 137 CG1 VAL A 12 -0.955 17.467 6.292 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.982 17.375 7.877 1.00 0.00 C ATOM 0 H VAL A 12 -0.537 19.723 4.998 1.00 0.00 H new ATOM 0 HA VAL A 12 2.001 19.250 6.232 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.186 19.098 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.605 17.115 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.520 18.120 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.578 16.613 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.306 17.024 8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.411 16.519 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.781 17.963 8.328 1.00 0.00 H new ATOM 148 N LEU A 13 0.973 17.298 3.840 1.00 0.00 N ATOM 149 CA LEU A 13 1.343 16.189 2.968 1.00 0.00 C ATOM 150 C LEU A 13 2.848 16.171 2.720 1.00 0.00 C ATOM 151 O LEU A 13 3.543 15.206 3.039 1.00 0.00 O ATOM 152 CB LEU A 13 0.597 16.291 1.636 1.00 0.00 C ATOM 153 CG LEU A 13 1.347 15.781 0.405 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.417 14.262 0.415 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.681 16.278 -0.869 1.00 0.00 C ATOM 0 H LEU A 13 0.172 17.839 3.516 1.00 0.00 H new ATOM 0 HA LEU A 13 1.063 15.260 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.337 15.737 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.334 17.335 1.469 1.00 0.00 H new ATOM 0 HG LEU A 13 2.364 16.171 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.954 13.917 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.940 13.928 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.407 13.851 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.228 15.905 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.347 15.917 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.684 17.368 -0.880 1.00 0.00 H new ATOM 167 N PRO A 14 3.366 17.263 2.138 1.00 0.00 N ATOM 168 CA PRO A 14 4.794 17.398 1.837 1.00 0.00 C ATOM 169 C PRO A 14 5.640 17.548 3.097 1.00 0.00 C ATOM 170 O PRO A 14 6.860 17.388 3.059 1.00 0.00 O ATOM 171 CB PRO A 14 4.860 18.674 0.994 1.00 0.00 C ATOM 172 CG PRO A 14 3.662 19.460 1.402 1.00 0.00 C ATOM 173 CD PRO A 14 2.597 18.451 1.730 1.00 0.00 C ATOM 0 HA PRO A 14 5.189 16.516 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.780 19.227 1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.840 18.446 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.883 20.089 2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.338 20.123 0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.944 18.801 2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.962 18.242 0.869 1.00 0.00 H new ATOM 181 N SER A 15 4.985 17.854 4.212 1.00 0.00 N ATOM 182 CA SER A 15 5.678 18.029 5.483 1.00 0.00 C ATOM 183 C SER A 15 5.862 16.689 6.189 1.00 0.00 C ATOM 184 O SER A 15 6.807 16.505 6.955 1.00 0.00 O ATOM 185 CB SER A 15 4.902 18.991 6.384 1.00 0.00 C ATOM 186 OG SER A 15 5.618 19.265 7.575 1.00 0.00 O ATOM 0 H SER A 15 3.975 17.986 4.261 1.00 0.00 H new ATOM 0 HA SER A 15 6.662 18.451 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.711 19.921 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.932 18.560 6.631 1.00 0.00 H new ATOM 0 HG SER A 15 5.101 19.883 8.133 1.00 0.00 H new ATOM 192 N GLU A 16 4.951 15.758 5.925 1.00 0.00 N ATOM 193 CA GLU A 16 5.013 14.435 6.536 1.00 0.00 C ATOM 194 C GLU A 16 5.780 13.460 5.647 1.00 0.00 C ATOM 195 O GLU A 16 6.129 12.358 6.072 1.00 0.00 O ATOM 196 CB GLU A 16 3.602 13.903 6.796 1.00 0.00 C ATOM 197 CG GLU A 16 3.573 12.643 7.644 1.00 0.00 C ATOM 198 CD GLU A 16 3.822 12.923 9.114 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.333 14.017 9.432 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.505 12.047 9.946 1.00 0.00 O ATOM 0 H GLU A 16 4.162 15.895 5.293 1.00 0.00 H new ATOM 0 HA GLU A 16 5.541 14.526 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.016 14.678 7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.118 13.699 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.605 12.155 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.327 11.946 7.278 1.00 0.00 H new ATOM 207 N VAL A 17 6.039 13.874 4.411 1.00 0.00 N ATOM 208 CA VAL A 17 6.765 13.038 3.462 1.00 0.00 C ATOM 209 C VAL A 17 8.270 13.138 3.681 1.00 0.00 C ATOM 210 O VAL A 17 8.978 12.131 3.659 1.00 0.00 O ATOM 211 CB VAL A 17 6.442 13.431 2.007 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.281 12.615 1.036 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.958 13.253 1.725 1.00 0.00 C ATOM 0 H VAL A 17 5.757 14.783 4.043 1.00 0.00 H new ATOM 0 HA VAL A 17 6.443 12.011 3.634 1.00 0.00 H new ATOM 0 HB VAL A 17 6.690 14.483 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.040 12.906 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.339 12.799 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.067 11.555 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.747 13.535 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.681 12.210 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.381 13.886 2.399 1.00 0.00 H new ATOM 223 N GLU A 18 8.752 14.358 3.894 1.00 0.00 N ATOM 224 CA GLU A 18 10.175 14.588 4.118 1.00 0.00 C ATOM 225 C GLU A 18 10.669 13.805 5.331 1.00 0.00 C ATOM 226 O GLU A 18 11.810 13.344 5.364 1.00 0.00 O ATOM 227 CB GLU A 18 10.448 16.081 4.315 1.00 0.00 C ATOM 228 CG GLU A 18 10.165 16.570 5.726 1.00 0.00 C ATOM 229 CD GLU A 18 9.997 18.075 5.799 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.293 18.637 4.934 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.570 18.692 6.722 1.00 0.00 O ATOM 0 H GLU A 18 8.179 15.202 3.916 1.00 0.00 H new ATOM 0 HA GLU A 18 10.716 14.240 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.490 16.287 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.838 16.649 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.261 16.089 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.981 16.267 6.382 1.00 0.00 H new ATOM 238 N VAL A 19 9.800 13.659 6.327 1.00 0.00 N ATOM 239 CA VAL A 19 10.147 12.932 7.542 1.00 0.00 C ATOM 240 C VAL A 19 9.984 11.428 7.348 1.00 0.00 C ATOM 241 O VAL A 19 10.821 10.640 7.791 1.00 0.00 O ATOM 242 CB VAL A 19 9.278 13.381 8.732 1.00 0.00 C ATOM 243 CG1 VAL A 19 7.810 13.089 8.463 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.739 12.703 10.014 1.00 0.00 C ATOM 0 H VAL A 19 8.852 14.034 6.316 1.00 0.00 H new ATOM 0 HA VAL A 19 11.191 13.157 7.758 1.00 0.00 H new ATOM 0 HB VAL A 19 9.392 14.458 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.212 13.413 9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.490 13.626 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.674 12.018 8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.114 13.032 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.657 11.622 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.777 12.969 10.213 1.00 0.00 H new ATOM 254 N LEU A 20 8.903 11.037 6.683 1.00 0.00 N ATOM 255 CA LEU A 20 8.630 9.627 6.429 1.00 0.00 C ATOM 256 C LEU A 20 9.735 9.002 5.582 1.00 0.00 C ATOM 257 O LEU A 20 10.323 7.990 5.962 1.00 0.00 O ATOM 258 CB LEU A 20 7.281 9.467 5.726 1.00 0.00 C ATOM 259 CG LEU A 20 6.042 9.602 6.612 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.792 9.762 5.760 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.912 8.399 7.534 1.00 0.00 C ATOM 0 H LEU A 20 8.201 11.676 6.310 1.00 0.00 H new ATOM 0 HA LEU A 20 8.597 9.110 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.218 10.210 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.257 8.487 5.249 1.00 0.00 H new ATOM 0 HG LEU A 20 6.154 10.495 7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.920 9.857 6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.884 10.656 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.675 8.889 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.025 8.512 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.823 7.491 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.795 8.330 8.169 1.00 0.00 H new ATOM 273 N GLU A 21 10.012 9.614 4.435 1.00 0.00 N ATOM 274 CA GLU A 21 11.048 9.118 3.536 1.00 0.00 C ATOM 275 C GLU A 21 12.296 8.715 4.315 1.00 0.00 C ATOM 276 O GLU A 21 12.865 7.647 4.087 1.00 0.00 O ATOM 277 CB GLU A 21 11.404 10.182 2.496 1.00 0.00 C ATOM 278 CG GLU A 21 10.535 10.130 1.250 1.00 0.00 C ATOM 279 CD GLU A 21 11.086 9.191 0.194 1.00 0.00 C ATOM 280 OE1 GLU A 21 11.072 7.964 0.426 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.532 9.683 -0.864 1.00 0.00 O ATOM 0 H GLU A 21 9.534 10.453 4.106 1.00 0.00 H new ATOM 0 HA GLU A 21 10.659 8.237 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.313 11.168 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.448 10.060 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.530 9.811 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.448 11.132 0.830 1.00 0.00 H new ATOM 288 N SER A 22 12.718 9.577 5.234 1.00 0.00 N ATOM 289 CA SER A 22 13.902 9.314 6.043 1.00 0.00 C ATOM 290 C SER A 22 13.877 7.892 6.595 1.00 0.00 C ATOM 291 O SER A 22 14.914 7.235 6.696 1.00 0.00 O ATOM 292 CB SER A 22 13.993 10.318 7.194 1.00 0.00 C ATOM 293 OG SER A 22 15.093 10.027 8.039 1.00 0.00 O ATOM 0 H SER A 22 12.257 10.464 5.437 1.00 0.00 H new ATOM 0 HA SER A 22 14.779 9.423 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.095 11.327 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.070 10.297 7.773 1.00 0.00 H new ATOM 0 HG SER A 22 15.130 10.684 8.766 1.00 0.00 H new ATOM 299 N ILE A 23 12.686 7.423 6.952 1.00 0.00 N ATOM 300 CA ILE A 23 12.525 6.079 7.493 1.00 0.00 C ATOM 301 C ILE A 23 12.271 5.066 6.382 1.00 0.00 C ATOM 302 O ILE A 23 12.982 4.068 6.263 1.00 0.00 O ATOM 303 CB ILE A 23 11.366 6.015 8.506 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.628 6.967 9.675 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.180 4.591 9.007 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.369 7.422 10.378 1.00 0.00 C ATOM 0 H ILE A 23 11.818 7.954 6.876 1.00 0.00 H new ATOM 0 HA ILE A 23 13.456 5.830 8.002 1.00 0.00 H new ATOM 0 HB ILE A 23 10.449 6.327 8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.279 6.473 10.396 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.165 7.841 9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.358 4.561 9.722 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.953 3.936 8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.096 4.254 9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.631 8.094 11.195 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.726 7.945 9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.841 6.555 10.776 1.00 0.00 H new ATOM 318 N TYR A 24 11.254 5.331 5.569 1.00 0.00 N ATOM 319 CA TYR A 24 10.905 4.442 4.467 1.00 0.00 C ATOM 320 C TYR A 24 11.668 4.820 3.201 1.00 0.00 C ATOM 321 O TYR A 24 11.151 4.693 2.090 1.00 0.00 O ATOM 322 CB TYR A 24 9.399 4.490 4.203 1.00 0.00 C ATOM 323 CG TYR A 24 8.560 4.239 5.435 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.729 3.087 6.192 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.598 5.156 5.843 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.964 2.853 7.318 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.829 4.931 6.968 1.00 0.00 C ATOM 328 CZ TYR A 24 7.015 3.778 7.702 1.00 0.00 C ATOM 329 OH TYR A 24 6.252 3.550 8.824 1.00 0.00 O ATOM 0 H TYR A 24 10.657 6.154 5.652 1.00 0.00 H new ATOM 0 HA TYR A 24 11.185 3.427 4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.142 5.466 3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.148 3.748 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.472 2.361 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.449 6.060 5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.108 1.951 7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.086 5.654 7.271 1.00 0.00 H new ATOM 0 HH TYR A 24 6.202 4.370 9.358 1.00 0.00 H new ATOM 339 N LEU A 25 12.900 5.284 3.376 1.00 0.00 N ATOM 340 CA LEU A 25 13.736 5.680 2.248 1.00 0.00 C ATOM 341 C LEU A 25 13.471 4.793 1.036 1.00 0.00 C ATOM 342 O LEU A 25 12.952 5.254 0.019 1.00 0.00 O ATOM 343 CB LEU A 25 15.215 5.606 2.634 1.00 0.00 C ATOM 344 CG LEU A 25 15.720 6.706 3.568 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.031 6.293 4.219 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.887 8.015 2.810 1.00 0.00 C ATOM 0 H LEU A 25 13.343 5.395 4.288 1.00 0.00 H new ATOM 0 HA LEU A 25 13.486 6.708 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.398 4.642 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.810 5.631 1.721 1.00 0.00 H new ATOM 0 HG LEU A 25 14.980 6.857 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.375 7.088 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.879 5.381 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.780 6.113 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.247 8.786 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.607 7.879 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.927 8.319 2.393 1.00 0.00 H new ATOM 358 N ASP A 26 13.828 3.519 1.152 1.00 0.00 N ATOM 359 CA ASP A 26 13.625 2.566 0.066 1.00 0.00 C ATOM 360 C ASP A 26 12.227 1.959 0.130 1.00 0.00 C ATOM 361 O ASP A 26 11.476 2.003 -0.843 1.00 0.00 O ATOM 362 CB ASP A 26 14.679 1.460 0.127 1.00 0.00 C ATOM 363 CG ASP A 26 14.385 0.327 -0.837 1.00 0.00 C ATOM 364 OD1 ASP A 26 13.847 0.603 -1.929 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.694 -0.835 -0.500 1.00 0.00 O ATOM 0 H ASP A 26 14.259 3.122 1.987 1.00 0.00 H new ATOM 0 HA ASP A 26 13.726 3.101 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.658 1.882 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.730 1.066 1.142 1.00 0.00 H new ATOM 370 N GLU A 27 11.886 1.392 1.283 1.00 0.00 N ATOM 371 CA GLU A 27 10.579 0.773 1.472 1.00 0.00 C ATOM 372 C GLU A 27 9.495 1.557 0.737 1.00 0.00 C ATOM 373 O GLU A 27 8.699 0.986 -0.009 1.00 0.00 O ATOM 374 CB GLU A 27 10.241 0.689 2.962 1.00 0.00 C ATOM 375 CG GLU A 27 11.263 -0.087 3.775 1.00 0.00 C ATOM 376 CD GLU A 27 11.305 -1.558 3.408 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.538 -1.866 2.221 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.104 -2.401 4.308 1.00 0.00 O ATOM 0 H GLU A 27 12.496 1.348 2.099 1.00 0.00 H new ATOM 0 HA GLU A 27 10.619 -0.235 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.159 1.699 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.264 0.219 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.250 0.350 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.030 0.013 4.835 1.00 0.00 H new ATOM 385 N LEU A 28 9.471 2.867 0.953 1.00 0.00 N ATOM 386 CA LEU A 28 8.485 3.730 0.313 1.00 0.00 C ATOM 387 C LEU A 28 9.165 4.773 -0.569 1.00 0.00 C ATOM 388 O LEU A 28 10.279 5.211 -0.281 1.00 0.00 O ATOM 389 CB LEU A 28 7.622 4.423 1.368 1.00 0.00 C ATOM 390 CG LEU A 28 6.631 5.465 0.847 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.394 5.514 1.731 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.288 6.835 0.769 1.00 0.00 C ATOM 0 H LEU A 28 10.123 3.355 1.567 1.00 0.00 H new ATOM 0 HA LEU A 28 7.848 3.108 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.064 3.660 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.282 4.907 2.088 1.00 0.00 H new ATOM 0 HG LEU A 28 6.323 5.175 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.700 6.261 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.910 4.537 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.684 5.779 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.568 7.563 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.626 7.134 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.142 6.791 0.093 1.00 0.00 H new ATOM 404 N GLN A 29 8.487 5.167 -1.642 1.00 0.00 N ATOM 405 CA GLN A 29 9.026 6.159 -2.564 1.00 0.00 C ATOM 406 C GLN A 29 8.063 7.331 -2.727 1.00 0.00 C ATOM 407 O GLN A 29 6.846 7.165 -2.634 1.00 0.00 O ATOM 408 CB GLN A 29 9.307 5.522 -3.926 1.00 0.00 C ATOM 409 CG GLN A 29 10.666 4.845 -4.011 1.00 0.00 C ATOM 410 CD GLN A 29 11.809 5.838 -4.079 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.884 6.772 -3.279 1.00 0.00 O ATOM 412 NE2 GLN A 29 12.709 5.641 -5.035 1.00 0.00 N ATOM 0 H GLN A 29 7.564 4.814 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 29 9.960 6.535 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.530 4.788 -4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.244 6.290 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.801 4.200 -3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.694 4.204 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.608 4.854 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.501 6.276 -5.128 1.00 0.00 H new ATOM 421 N VAL A 30 8.615 8.515 -2.971 1.00 0.00 N ATOM 422 CA VAL A 30 7.804 9.714 -3.148 1.00 0.00 C ATOM 423 C VAL A 30 8.155 10.427 -4.450 1.00 0.00 C ATOM 424 O VAL A 30 9.326 10.538 -4.812 1.00 0.00 O ATOM 425 CB VAL A 30 7.988 10.694 -1.974 1.00 0.00 C ATOM 426 CG1 VAL A 30 7.131 11.934 -2.174 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.654 10.012 -0.655 1.00 0.00 C ATOM 0 H VAL A 30 9.620 8.670 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 30 6.764 9.391 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 30 9.032 11.005 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.274 12.615 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.422 12.432 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.081 11.645 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.789 10.718 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.619 9.671 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.315 9.157 -0.510 1.00 0.00 H new ATOM 437 N ILE A 31 7.132 10.908 -5.148 1.00 0.00 N ATOM 438 CA ILE A 31 7.332 11.612 -6.409 1.00 0.00 C ATOM 439 C ILE A 31 6.766 13.026 -6.344 1.00 0.00 C ATOM 440 O ILE A 31 5.581 13.245 -6.598 1.00 0.00 O ATOM 441 CB ILE A 31 6.676 10.861 -7.583 1.00 0.00 C ATOM 442 CG1 ILE A 31 7.265 9.455 -7.710 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.862 11.638 -8.878 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.637 8.450 -6.769 1.00 0.00 C ATOM 0 H ILE A 31 6.157 10.823 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 31 8.408 11.661 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 31 5.608 10.771 -7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.139 9.108 -8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.337 9.500 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.393 11.095 -9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.400 12.621 -8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.926 11.756 -9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.103 7.475 -6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.786 8.774 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.569 8.376 -6.976 1.00 0.00 H new ATOM 456 N LYS A 32 7.621 13.985 -6.006 1.00 0.00 N ATOM 457 CA LYS A 32 7.209 15.380 -5.911 1.00 0.00 C ATOM 458 C LYS A 32 6.570 15.849 -7.215 1.00 0.00 C ATOM 459 O LYS A 32 7.189 15.791 -8.276 1.00 0.00 O ATOM 460 CB LYS A 32 8.409 16.267 -5.572 1.00 0.00 C ATOM 461 CG LYS A 32 8.666 16.399 -4.081 1.00 0.00 C ATOM 462 CD LYS A 32 10.057 16.942 -3.800 1.00 0.00 C ATOM 463 CE LYS A 32 10.172 17.473 -2.379 1.00 0.00 C ATOM 464 NZ LYS A 32 11.579 17.802 -2.022 1.00 0.00 N ATOM 0 H LYS A 32 8.605 13.821 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 32 6.469 15.460 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.299 15.858 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.247 17.259 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.920 17.060 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.551 15.426 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.794 16.155 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.287 17.739 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.553 18.364 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.784 16.730 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.615 18.160 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.166 16.947 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.941 18.529 -2.671 1.00 0.00 H new ATOM 478 N GLY A 33 5.328 16.314 -7.126 1.00 0.00 N ATOM 479 CA GLY A 33 4.627 16.787 -8.306 1.00 0.00 C ATOM 480 C GLY A 33 5.301 17.988 -8.938 1.00 0.00 C ATOM 481 O GLY A 33 6.280 18.510 -8.407 1.00 0.00 O ATOM 0 H GLY A 33 4.795 16.372 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.568 15.981 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.604 17.049 -8.037 1.00 0.00 H new ATOM 485 N ASN A 34 4.776 18.428 -10.077 1.00 0.00 N ATOM 486 CA ASN A 34 5.335 19.575 -10.783 1.00 0.00 C ATOM 487 C ASN A 34 4.432 20.797 -10.638 1.00 0.00 C ATOM 488 O ASN A 34 4.209 21.534 -11.597 1.00 0.00 O ATOM 489 CB ASN A 34 5.527 19.243 -12.264 1.00 0.00 C ATOM 490 CG ASN A 34 6.129 17.867 -12.475 1.00 0.00 C ATOM 491 OD1 ASN A 34 7.344 17.690 -12.399 1.00 0.00 O ATOM 492 ND2 ASN A 34 5.276 16.884 -12.741 1.00 0.00 N ATOM 0 H ASN A 34 3.965 18.008 -10.530 1.00 0.00 H new ATOM 0 HA ASN A 34 6.303 19.806 -10.340 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.565 19.298 -12.773 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.173 19.993 -12.721 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.621 15.936 -12.892 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.276 17.077 -12.794 1.00 0.00 H new ATOM 499 N GLY A 35 3.916 21.004 -9.430 1.00 0.00 N ATOM 500 CA GLY A 35 3.045 22.137 -9.180 1.00 0.00 C ATOM 501 C GLY A 35 1.998 21.842 -8.124 1.00 0.00 C ATOM 502 O GLY A 35 2.274 21.151 -7.143 1.00 0.00 O ATOM 0 H GLY A 35 4.086 20.407 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.645 22.990 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.550 22.422 -10.108 1.00 0.00 H new ATOM 506 N ARG A 36 0.793 22.367 -8.324 1.00 0.00 N ATOM 507 CA ARG A 36 -0.297 22.158 -7.380 1.00 0.00 C ATOM 508 C ARG A 36 -1.503 21.529 -8.072 1.00 0.00 C ATOM 509 O ARG A 36 -2.057 20.537 -7.598 1.00 0.00 O ATOM 510 CB ARG A 36 -0.701 23.484 -6.733 1.00 0.00 C ATOM 511 CG ARG A 36 -1.932 23.380 -5.846 1.00 0.00 C ATOM 512 CD ARG A 36 -1.567 22.942 -4.437 1.00 0.00 C ATOM 513 NE ARG A 36 -0.822 23.973 -3.719 1.00 0.00 N ATOM 514 CZ ARG A 36 -0.716 24.015 -2.395 1.00 0.00 C ATOM 515 NH1 ARG A 36 -1.303 23.090 -1.650 1.00 0.00 N ATOM 516 NH2 ARG A 36 -0.020 24.985 -1.815 1.00 0.00 N ATOM 0 H ARG A 36 0.548 22.940 -9.131 1.00 0.00 H new ATOM 0 HA ARG A 36 0.053 21.475 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.133 23.858 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.889 24.218 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.438 24.345 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.635 22.668 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.476 22.701 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.971 22.030 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.358 24.700 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.838 22.343 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.220 23.125 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.434 25.698 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.061 25.017 -0.799 1.00 0.00 H new ATOM 530 N THR A 37 -1.905 22.114 -9.196 1.00 0.00 N ATOM 531 CA THR A 37 -3.045 21.613 -9.953 1.00 0.00 C ATOM 532 C THR A 37 -3.104 20.090 -9.915 1.00 0.00 C ATOM 533 O THR A 37 -4.185 19.502 -9.873 1.00 0.00 O ATOM 534 CB THR A 37 -2.993 22.077 -11.421 1.00 0.00 C ATOM 535 OG1 THR A 37 -1.657 21.964 -11.923 1.00 0.00 O ATOM 536 CG2 THR A 37 -3.470 23.516 -11.551 1.00 0.00 C ATOM 0 H THR A 37 -1.457 22.936 -9.602 1.00 0.00 H new ATOM 0 HA THR A 37 -3.940 22.020 -9.483 1.00 0.00 H new ATOM 0 HB THR A 37 -3.655 21.438 -12.005 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.632 22.259 -12.857 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.424 23.821 -12.596 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.497 23.592 -11.195 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.830 24.167 -10.955 1.00 0.00 H new ATOM 544 N SER A 38 -1.935 19.457 -9.928 1.00 0.00 N ATOM 545 CA SER A 38 -1.854 18.001 -9.898 1.00 0.00 C ATOM 546 C SER A 38 -1.459 17.508 -8.510 1.00 0.00 C ATOM 547 O SER A 38 -0.562 18.049 -7.863 1.00 0.00 O ATOM 548 CB SER A 38 -0.845 17.504 -10.935 1.00 0.00 C ATOM 549 OG SER A 38 -1.471 17.272 -12.185 1.00 0.00 O ATOM 0 H SER A 38 -1.031 19.929 -9.959 1.00 0.00 H new ATOM 0 HA SER A 38 -2.839 17.601 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.049 18.239 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.379 16.584 -10.582 1.00 0.00 H new ATOM 0 HG SER A 38 -0.805 16.957 -12.831 1.00 0.00 H new ATOM 555 N PRO A 39 -2.144 16.454 -8.040 1.00 0.00 N ATOM 556 CA PRO A 39 -1.883 15.863 -6.725 1.00 0.00 C ATOM 557 C PRO A 39 -0.542 15.139 -6.670 1.00 0.00 C ATOM 558 O PRO A 39 0.202 15.117 -7.651 1.00 0.00 O ATOM 559 CB PRO A 39 -3.034 14.870 -6.547 1.00 0.00 C ATOM 560 CG PRO A 39 -3.451 14.521 -7.934 1.00 0.00 C ATOM 561 CD PRO A 39 -3.226 15.759 -8.758 1.00 0.00 C ATOM 0 HA PRO A 39 -1.830 16.620 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.713 13.986 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.857 15.314 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.867 13.685 -8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.498 14.218 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.938 15.514 -9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.126 16.371 -8.818 1.00 0.00 H new ATOM 569 N TRP A 40 -0.240 14.549 -5.520 1.00 0.00 N ATOM 570 CA TRP A 40 1.012 13.823 -5.339 1.00 0.00 C ATOM 571 C TRP A 40 0.814 12.329 -5.570 1.00 0.00 C ATOM 572 O TRP A 40 -0.301 11.875 -5.827 1.00 0.00 O ATOM 573 CB TRP A 40 1.566 14.065 -3.934 1.00 0.00 C ATOM 574 CG TRP A 40 2.180 15.421 -3.763 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.695 16.606 -4.239 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.393 15.732 -3.069 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.534 17.634 -3.882 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.582 17.125 -3.163 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.337 14.970 -2.375 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.677 17.767 -2.591 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.422 15.609 -1.807 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.585 16.996 -1.917 1.00 0.00 C ATOM 0 H TRP A 40 -0.845 14.559 -4.699 1.00 0.00 H new ATOM 0 HA TRP A 40 1.727 14.193 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.762 13.944 -3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.314 13.304 -3.710 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.786 16.718 -4.812 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.398 18.618 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.220 13.900 -2.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.805 18.836 -2.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.157 15.029 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.444 17.466 -1.461 1.00 0.00 H new ATOM 593 N GLU A 41 1.902 11.571 -5.479 1.00 0.00 N ATOM 594 CA GLU A 41 1.846 10.128 -5.679 1.00 0.00 C ATOM 595 C GLU A 41 2.897 9.419 -4.831 1.00 0.00 C ATOM 596 O GLU A 41 4.069 9.798 -4.832 1.00 0.00 O ATOM 597 CB GLU A 41 2.053 9.787 -7.157 1.00 0.00 C ATOM 598 CG GLU A 41 1.334 8.523 -7.597 1.00 0.00 C ATOM 599 CD GLU A 41 0.952 8.549 -9.064 1.00 0.00 C ATOM 600 OE1 GLU A 41 1.715 9.127 -9.866 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.111 7.992 -9.410 1.00 0.00 O ATOM 0 H GLU A 41 2.832 11.932 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 41 0.860 9.783 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.707 10.622 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.120 9.673 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.974 7.661 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.436 8.392 -6.994 1.00 0.00 H new ATOM 608 N ILE A 42 2.470 8.389 -4.108 1.00 0.00 N ATOM 609 CA ILE A 42 3.374 7.628 -3.255 1.00 0.00 C ATOM 610 C ILE A 42 3.227 6.129 -3.498 1.00 0.00 C ATOM 611 O ILE A 42 2.115 5.620 -3.647 1.00 0.00 O ATOM 612 CB ILE A 42 3.124 7.922 -1.764 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.273 9.419 -1.486 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.083 7.119 -0.898 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.586 9.868 -0.215 1.00 0.00 C ATOM 0 H ILE A 42 1.504 8.063 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 42 4.387 7.938 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 42 2.105 7.625 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.333 9.665 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.865 9.979 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.894 7.338 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.933 6.055 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.110 7.389 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.733 10.940 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.519 9.654 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.010 9.335 0.636 1.00 0.00 H new ATOM 627 N TYR A 43 4.354 5.428 -3.534 1.00 0.00 N ATOM 628 CA TYR A 43 4.351 3.987 -3.759 1.00 0.00 C ATOM 629 C TYR A 43 5.033 3.255 -2.607 1.00 0.00 C ATOM 630 O TYR A 43 5.790 3.850 -1.841 1.00 0.00 O ATOM 631 CB TYR A 43 5.052 3.654 -5.077 1.00 0.00 C ATOM 632 CG TYR A 43 4.664 4.568 -6.217 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.342 4.672 -6.630 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.620 5.325 -6.883 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.983 5.505 -7.672 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.270 6.162 -7.925 1.00 0.00 C ATOM 637 CZ TYR A 43 3.950 6.248 -8.316 1.00 0.00 C ATOM 638 OH TYR A 43 3.597 7.079 -9.354 1.00 0.00 O ATOM 0 H TYR A 43 5.282 5.834 -3.410 1.00 0.00 H new ATOM 0 HA TYR A 43 3.314 3.655 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.131 3.709 -4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.820 2.625 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.582 4.092 -6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.655 5.258 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.950 5.574 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.025 6.745 -8.430 1.00 0.00 H new ATOM 0 HH TYR A 43 4.396 7.531 -9.697 1.00 0.00 H new ATOM 648 N ILE A 44 4.758 1.960 -2.494 1.00 0.00 N ATOM 649 CA ILE A 44 5.345 1.145 -1.437 1.00 0.00 C ATOM 650 C ILE A 44 5.068 -0.337 -1.668 1.00 0.00 C ATOM 651 O ILE A 44 4.033 -0.708 -2.224 1.00 0.00 O ATOM 652 CB ILE A 44 4.807 1.546 -0.051 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.600 0.841 1.051 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.326 1.215 0.059 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.518 1.535 2.393 1.00 0.00 C ATOM 0 H ILE A 44 4.133 1.453 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 44 6.420 1.320 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 44 4.928 2.622 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.232 -0.180 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.645 0.774 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.961 1.504 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.774 1.759 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.181 0.144 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.104 0.980 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.913 2.547 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.478 1.579 2.717 1.00 0.00 H new ATOM 667 N THR A 45 5.999 -1.182 -1.236 1.00 0.00 N ATOM 668 CA THR A 45 5.855 -2.624 -1.395 1.00 0.00 C ATOM 669 C THR A 45 5.356 -3.271 -0.108 1.00 0.00 C ATOM 670 O THR A 45 5.833 -2.957 0.983 1.00 0.00 O ATOM 671 CB THR A 45 7.188 -3.280 -1.802 1.00 0.00 C ATOM 672 OG1 THR A 45 7.745 -2.596 -2.931 1.00 0.00 O ATOM 673 CG2 THR A 45 6.987 -4.749 -2.141 1.00 0.00 C ATOM 0 H THR A 45 6.861 -0.893 -0.773 1.00 0.00 H new ATOM 0 HA THR A 45 5.123 -2.784 -2.187 1.00 0.00 H new ATOM 0 HB THR A 45 7.875 -3.209 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.593 -3.017 -3.183 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.942 -5.191 -2.425 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.590 -5.272 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.285 -4.838 -2.970 1.00 0.00 H new ATOM 681 N LEU A 46 4.394 -4.177 -0.242 1.00 0.00 N ATOM 682 CA LEU A 46 3.830 -4.871 0.911 1.00 0.00 C ATOM 683 C LEU A 46 4.053 -6.376 0.804 1.00 0.00 C ATOM 684 O LEU A 46 3.916 -6.959 -0.272 1.00 0.00 O ATOM 685 CB LEU A 46 2.334 -4.572 1.029 1.00 0.00 C ATOM 686 CG LEU A 46 1.953 -3.404 1.939 1.00 0.00 C ATOM 687 CD1 LEU A 46 2.296 -3.720 3.386 1.00 0.00 C ATOM 688 CD2 LEU A 46 2.651 -2.128 1.489 1.00 0.00 C ATOM 0 H LEU A 46 3.988 -4.448 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 46 4.338 -4.510 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.944 -4.371 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.832 -5.469 1.393 1.00 0.00 H new ATOM 0 HG LEU A 46 0.876 -3.250 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.018 -2.877 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.750 -4.608 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.367 -3.902 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.368 -1.307 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.731 -2.270 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.354 -1.892 0.467 1.00 0.00 H new ATOM 700 N HIS A 47 4.396 -7.000 1.927 1.00 0.00 N ATOM 701 CA HIS A 47 4.635 -8.438 1.960 1.00 0.00 C ATOM 702 C HIS A 47 4.466 -8.984 3.374 1.00 0.00 C ATOM 703 O HIS A 47 4.957 -8.414 4.349 1.00 0.00 O ATOM 704 CB HIS A 47 6.038 -8.755 1.442 1.00 0.00 C ATOM 705 CG HIS A 47 7.088 -7.813 1.944 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.489 -7.765 3.262 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.824 -6.880 1.295 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.424 -6.842 3.403 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.645 -6.291 2.224 1.00 0.00 N ATOM 0 H HIS A 47 4.514 -6.532 2.826 1.00 0.00 H new ATOM 0 HA HIS A 47 3.901 -8.919 1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.303 -9.771 1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.029 -8.729 0.352 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.121 -8.351 4.012 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.774 -6.643 0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.922 -6.583 4.325 1.00 0.00 H new ATOM 718 N PRO A 48 3.754 -10.115 3.492 1.00 0.00 N ATOM 719 CA PRO A 48 3.504 -10.763 4.783 1.00 0.00 C ATOM 720 C PRO A 48 4.767 -11.380 5.376 1.00 0.00 C ATOM 721 O PRO A 48 5.523 -12.058 4.681 1.00 0.00 O ATOM 722 CB PRO A 48 2.486 -11.854 4.441 1.00 0.00 C ATOM 723 CG PRO A 48 2.717 -12.149 2.999 1.00 0.00 C ATOM 724 CD PRO A 48 3.140 -10.849 2.373 1.00 0.00 C ATOM 0 HA PRO A 48 3.154 -10.054 5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.636 -12.742 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.466 -11.513 4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.487 -12.911 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.811 -12.532 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.848 -11.007 1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.290 -10.309 1.956 1.00 0.00 H new ATOM 732 N ALA A 49 4.987 -11.140 6.664 1.00 0.00 N ATOM 733 CA ALA A 49 6.157 -11.675 7.351 1.00 0.00 C ATOM 734 C ALA A 49 5.932 -13.123 7.772 1.00 0.00 C ATOM 735 O ALA A 49 6.324 -13.531 8.866 1.00 0.00 O ATOM 736 CB ALA A 49 6.495 -10.818 8.562 1.00 0.00 C ATOM 0 H ALA A 49 4.371 -10.579 7.253 1.00 0.00 H new ATOM 0 HA ALA A 49 6.997 -11.652 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.370 -11.229 9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.707 -9.799 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.650 -10.812 9.251 1.00 0.00 H new ATOM 742 N THR A 50 5.298 -13.897 6.896 1.00 0.00 N ATOM 743 CA THR A 50 5.020 -15.300 7.177 1.00 0.00 C ATOM 744 C THR A 50 4.630 -16.048 5.908 1.00 0.00 C ATOM 745 O THR A 50 3.965 -15.498 5.031 1.00 0.00 O ATOM 746 CB THR A 50 3.893 -15.452 8.216 1.00 0.00 C ATOM 747 OG1 THR A 50 3.712 -16.834 8.545 1.00 0.00 O ATOM 748 CG2 THR A 50 2.588 -14.877 7.686 1.00 0.00 C ATOM 0 H THR A 50 4.968 -13.576 5.986 1.00 0.00 H new ATOM 0 HA THR A 50 5.937 -15.729 7.581 1.00 0.00 H new ATOM 0 HB THR A 50 4.178 -14.900 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.995 -16.921 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.807 -14.996 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.720 -13.818 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.301 -15.405 6.777 1.00 0.00 H new ATOM 756 N ALA A 51 5.048 -17.307 5.817 1.00 0.00 N ATOM 757 CA ALA A 51 4.739 -18.132 4.655 1.00 0.00 C ATOM 758 C ALA A 51 5.223 -19.564 4.855 1.00 0.00 C ATOM 759 O ALA A 51 6.354 -19.793 5.283 1.00 0.00 O ATOM 760 CB ALA A 51 5.361 -17.533 3.402 1.00 0.00 C ATOM 0 H ALA A 51 5.601 -17.777 6.534 1.00 0.00 H new ATOM 0 HA ALA A 51 3.656 -18.155 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.122 -18.159 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.964 -16.531 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.443 -17.480 3.523 1.00 0.00 H new ATOM 766 N GLU A 52 4.358 -20.525 4.543 1.00 0.00 N ATOM 767 CA GLU A 52 4.698 -21.935 4.691 1.00 0.00 C ATOM 768 C GLU A 52 6.021 -22.251 4.000 1.00 0.00 C ATOM 769 O GLU A 52 6.957 -22.750 4.625 1.00 0.00 O ATOM 770 CB GLU A 52 3.586 -22.813 4.114 1.00 0.00 C ATOM 771 CG GLU A 52 2.259 -22.670 4.840 1.00 0.00 C ATOM 772 CD GLU A 52 1.071 -22.984 3.951 1.00 0.00 C ATOM 773 OE1 GLU A 52 0.904 -24.165 3.579 1.00 0.00 O ATOM 774 OE2 GLU A 52 0.309 -22.050 3.626 1.00 0.00 O ATOM 0 H GLU A 52 3.418 -20.352 4.187 1.00 0.00 H new ATOM 0 HA GLU A 52 4.804 -22.147 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.444 -22.561 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.901 -23.856 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.248 -23.335 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.165 -21.653 5.220 1.00 0.00 H new ATOM 781 N ASP A 53 6.091 -21.956 2.706 1.00 0.00 N ATOM 782 CA ASP A 53 7.299 -22.208 1.929 1.00 0.00 C ATOM 783 C ASP A 53 7.662 -20.993 1.081 1.00 0.00 C ATOM 784 O ASP A 53 7.218 -20.866 -0.060 1.00 0.00 O ATOM 785 CB ASP A 53 7.109 -23.432 1.033 1.00 0.00 C ATOM 786 CG ASP A 53 6.403 -24.568 1.747 1.00 0.00 C ATOM 787 OD1 ASP A 53 5.176 -24.466 1.957 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.077 -25.560 2.095 1.00 0.00 O ATOM 0 H ASP A 53 5.326 -21.542 2.174 1.00 0.00 H new ATOM 0 HA ASP A 53 8.116 -22.401 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.534 -23.148 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.082 -23.776 0.682 1.00 0.00 H new ATOM 793 N GLN A 54 8.471 -20.103 1.647 1.00 0.00 N ATOM 794 CA GLN A 54 8.892 -18.897 0.942 1.00 0.00 C ATOM 795 C GLN A 54 9.310 -19.221 -0.488 1.00 0.00 C ATOM 796 O GLN A 54 8.994 -18.481 -1.420 1.00 0.00 O ATOM 797 CB GLN A 54 10.048 -18.225 1.685 1.00 0.00 C ATOM 798 CG GLN A 54 9.632 -17.564 2.989 1.00 0.00 C ATOM 799 CD GLN A 54 9.598 -18.537 4.151 1.00 0.00 C ATOM 800 OE1 GLN A 54 9.891 -19.722 3.992 1.00 0.00 O ATOM 801 NE2 GLN A 54 9.239 -18.040 5.329 1.00 0.00 N ATOM 0 H GLN A 54 8.848 -20.194 2.590 1.00 0.00 H new ATOM 0 HA GLN A 54 8.045 -18.212 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.816 -18.970 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.499 -17.475 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.324 -16.754 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.646 -17.116 2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.004 -17.051 5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.198 -18.647 6.148 1.00 0.00 H new ATOM 810 N ASP A 55 10.023 -20.329 -0.655 1.00 0.00 N ATOM 811 CA ASP A 55 10.484 -20.751 -1.972 1.00 0.00 C ATOM 812 C ASP A 55 9.425 -20.471 -3.034 1.00 0.00 C ATOM 813 O ASP A 55 9.684 -19.774 -4.015 1.00 0.00 O ATOM 814 CB ASP A 55 10.832 -22.241 -1.961 1.00 0.00 C ATOM 815 CG ASP A 55 11.790 -22.619 -3.073 1.00 0.00 C ATOM 816 OD1 ASP A 55 11.862 -21.875 -4.074 1.00 0.00 O ATOM 817 OD2 ASP A 55 12.469 -23.659 -2.943 1.00 0.00 O ATOM 0 H ASP A 55 10.294 -20.952 0.106 1.00 0.00 H new ATOM 0 HA ASP A 55 11.379 -20.179 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.275 -22.501 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.917 -22.826 -2.059 1.00 0.00 H new ATOM 822 N SER A 56 8.232 -21.021 -2.832 1.00 0.00 N ATOM 823 CA SER A 56 7.135 -20.834 -3.774 1.00 0.00 C ATOM 824 C SER A 56 6.064 -19.920 -3.187 1.00 0.00 C ATOM 825 O SER A 56 5.835 -18.817 -3.683 1.00 0.00 O ATOM 826 CB SER A 56 6.520 -22.185 -4.147 1.00 0.00 C ATOM 827 OG SER A 56 5.679 -22.066 -5.281 1.00 0.00 O ATOM 0 H SER A 56 8.001 -21.600 -2.025 1.00 0.00 H new ATOM 0 HA SER A 56 7.536 -20.364 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.312 -22.905 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.947 -22.573 -3.304 1.00 0.00 H new ATOM 0 HG SER A 56 5.300 -22.943 -5.500 1.00 0.00 H new ATOM 833 N GLN A 57 5.411 -20.387 -2.127 1.00 0.00 N ATOM 834 CA GLN A 57 4.364 -19.612 -1.473 1.00 0.00 C ATOM 835 C GLN A 57 4.829 -18.184 -1.208 1.00 0.00 C ATOM 836 O GLN A 57 5.498 -17.912 -0.211 1.00 0.00 O ATOM 837 CB GLN A 57 3.952 -20.278 -0.159 1.00 0.00 C ATOM 838 CG GLN A 57 2.733 -19.644 0.489 1.00 0.00 C ATOM 839 CD GLN A 57 1.479 -19.800 -0.349 1.00 0.00 C ATOM 840 OE1 GLN A 57 1.438 -20.601 -1.283 1.00 0.00 O ATOM 841 NE2 GLN A 57 0.447 -19.033 -0.018 1.00 0.00 N ATOM 0 H GLN A 57 5.589 -21.298 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 57 3.503 -19.577 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.747 -21.332 -0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.788 -20.234 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.570 -20.096 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.925 -18.584 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.525 -18.383 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.424 -19.094 -0.546 1.00 0.00 H new ATOM 850 N TYR A 58 4.470 -17.274 -2.107 1.00 0.00 N ATOM 851 CA TYR A 58 4.852 -15.873 -1.973 1.00 0.00 C ATOM 852 C TYR A 58 3.680 -14.954 -2.301 1.00 0.00 C ATOM 853 O TYR A 58 2.680 -15.385 -2.878 1.00 0.00 O ATOM 854 CB TYR A 58 6.036 -15.556 -2.888 1.00 0.00 C ATOM 855 CG TYR A 58 5.630 -15.196 -4.299 1.00 0.00 C ATOM 856 CD1 TYR A 58 5.099 -13.945 -4.593 1.00 0.00 C ATOM 857 CD2 TYR A 58 5.776 -16.105 -5.339 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.726 -13.612 -5.881 1.00 0.00 C ATOM 859 CE2 TYR A 58 5.408 -15.780 -6.630 1.00 0.00 C ATOM 860 CZ TYR A 58 4.883 -14.533 -6.896 1.00 0.00 C ATOM 861 OH TYR A 58 4.513 -14.205 -8.180 1.00 0.00 O ATOM 0 H TYR A 58 3.915 -17.482 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 58 5.145 -15.700 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.604 -14.730 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.702 -16.419 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.976 -13.221 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.185 -17.084 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.314 -12.636 -6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.531 -16.499 -7.427 1.00 0.00 H new ATOM 0 HH TYR A 58 4.689 -14.963 -8.775 1.00 0.00 H new ATOM 871 N VAL A 59 3.810 -13.684 -1.931 1.00 0.00 N ATOM 872 CA VAL A 59 2.763 -12.702 -2.187 1.00 0.00 C ATOM 873 C VAL A 59 3.261 -11.286 -1.921 1.00 0.00 C ATOM 874 O VAL A 59 3.784 -10.993 -0.845 1.00 0.00 O ATOM 875 CB VAL A 59 1.519 -12.969 -1.319 1.00 0.00 C ATOM 876 CG1 VAL A 59 1.925 -13.305 0.108 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.583 -11.769 -1.347 1.00 0.00 C ATOM 0 H VAL A 59 4.630 -13.311 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 59 2.490 -12.796 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 59 0.987 -13.826 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.033 -13.490 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.553 -14.196 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.481 -12.470 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.291 -11.975 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.103 -10.893 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.265 -11.579 -2.372 1.00 0.00 H new ATOM 887 N CYS A 60 3.095 -10.412 -2.907 1.00 0.00 N ATOM 888 CA CYS A 60 3.528 -9.025 -2.780 1.00 0.00 C ATOM 889 C CYS A 60 2.660 -8.104 -3.631 1.00 0.00 C ATOM 890 O CYS A 60 2.261 -8.459 -4.740 1.00 0.00 O ATOM 891 CB CYS A 60 4.995 -8.887 -3.191 1.00 0.00 C ATOM 892 SG CYS A 60 5.306 -9.228 -4.939 1.00 0.00 S ATOM 0 H CYS A 60 2.664 -10.639 -3.803 1.00 0.00 H new ATOM 0 HA CYS A 60 3.422 -8.731 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.331 -7.875 -2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.596 -9.566 -2.587 1.00 0.00 H new ATOM 0 HG CYS A 60 4.207 -9.066 -5.615 1.00 0.00 H new ATOM 898 N PHE A 61 2.369 -6.919 -3.103 1.00 0.00 N ATOM 899 CA PHE A 61 1.545 -5.948 -3.813 1.00 0.00 C ATOM 900 C PHE A 61 2.060 -4.529 -3.585 1.00 0.00 C ATOM 901 O PHE A 61 2.534 -4.195 -2.499 1.00 0.00 O ATOM 902 CB PHE A 61 0.088 -6.053 -3.358 1.00 0.00 C ATOM 903 CG PHE A 61 -0.206 -5.282 -2.104 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.478 -3.924 -2.157 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.210 -5.914 -0.871 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.748 -3.212 -1.004 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.479 -5.207 0.286 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.750 -3.854 0.219 1.00 0.00 C ATOM 0 H PHE A 61 2.692 -6.609 -2.186 1.00 0.00 H new ATOM 0 HA PHE A 61 1.602 -6.170 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.560 -5.693 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.159 -7.102 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.479 -3.417 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.000 -6.972 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.957 -2.154 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.477 -5.712 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.963 -3.299 1.121 1.00 0.00 H new ATOM 918 N THR A 62 1.962 -3.698 -4.618 1.00 0.00 N ATOM 919 CA THR A 62 2.418 -2.316 -4.533 1.00 0.00 C ATOM 920 C THR A 62 1.278 -1.384 -4.137 1.00 0.00 C ATOM 921 O THR A 62 0.333 -1.183 -4.901 1.00 0.00 O ATOM 922 CB THR A 62 3.016 -1.838 -5.869 1.00 0.00 C ATOM 923 OG1 THR A 62 4.235 -2.540 -6.140 1.00 0.00 O ATOM 924 CG2 THR A 62 3.283 -0.341 -5.838 1.00 0.00 C ATOM 0 H THR A 62 1.571 -3.958 -5.523 1.00 0.00 H new ATOM 0 HA THR A 62 3.192 -2.286 -3.766 1.00 0.00 H new ATOM 0 HB THR A 62 2.295 -2.046 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.029 -3.410 -6.542 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.705 -0.027 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.349 0.192 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.987 -0.113 -5.038 1.00 0.00 H new ATOM 932 N LEU A 63 1.373 -0.817 -2.940 1.00 0.00 N ATOM 933 CA LEU A 63 0.349 0.095 -2.442 1.00 0.00 C ATOM 934 C LEU A 63 0.546 1.497 -3.011 1.00 0.00 C ATOM 935 O LEU A 63 1.522 2.176 -2.692 1.00 0.00 O ATOM 936 CB LEU A 63 0.380 0.144 -0.913 1.00 0.00 C ATOM 937 CG LEU A 63 -0.960 0.395 -0.222 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.865 0.072 1.261 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.406 1.835 -0.429 1.00 0.00 C ATOM 0 H LEU A 63 2.149 -0.972 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.623 -0.277 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.783 -0.800 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.075 0.926 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.706 -0.263 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.828 0.257 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.593 -0.976 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.106 0.703 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.362 1.995 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.660 2.511 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.516 2.032 -1.495 1.00 0.00 H new ATOM 951 N VAL A 64 -0.389 1.925 -3.853 1.00 0.00 N ATOM 952 CA VAL A 64 -0.321 3.247 -4.464 1.00 0.00 C ATOM 953 C VAL A 64 -1.308 4.207 -3.809 1.00 0.00 C ATOM 954 O VAL A 64 -2.520 4.093 -3.998 1.00 0.00 O ATOM 955 CB VAL A 64 -0.610 3.183 -5.976 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.454 4.557 -6.608 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.304 2.170 -6.650 1.00 0.00 C ATOM 0 H VAL A 64 -1.203 1.375 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 64 0.694 3.614 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.641 2.859 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.662 4.492 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.153 5.253 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.565 4.913 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.086 2.137 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.344 2.462 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.138 1.184 -6.216 1.00 0.00 H new ATOM 967 N LEU A 65 -0.782 5.153 -3.039 1.00 0.00 N ATOM 968 CA LEU A 65 -1.617 6.134 -2.355 1.00 0.00 C ATOM 969 C LEU A 65 -1.638 7.456 -3.117 1.00 0.00 C ATOM 970 O LEU A 65 -0.593 8.063 -3.353 1.00 0.00 O ATOM 971 CB LEU A 65 -1.109 6.361 -0.931 1.00 0.00 C ATOM 972 CG LEU A 65 -1.592 5.363 0.122 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.562 5.214 1.230 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.934 5.798 0.693 1.00 0.00 C ATOM 0 H LEU A 65 0.218 5.262 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.634 5.743 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.019 6.341 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.405 7.362 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.721 4.393 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.924 4.500 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.377 4.855 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.399 6.180 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.262 5.076 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.831 6.779 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.671 5.851 -0.109 1.00 0.00 H new ATOM 986 N GLN A 66 -2.833 7.896 -3.495 1.00 0.00 N ATOM 987 CA GLN A 66 -2.989 9.147 -4.228 1.00 0.00 C ATOM 988 C GLN A 66 -3.557 10.239 -3.328 1.00 0.00 C ATOM 989 O GLN A 66 -4.752 10.252 -3.030 1.00 0.00 O ATOM 990 CB GLN A 66 -3.901 8.942 -5.440 1.00 0.00 C ATOM 991 CG GLN A 66 -3.586 9.871 -6.602 1.00 0.00 C ATOM 992 CD GLN A 66 -4.557 9.712 -7.755 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.747 9.999 -7.623 1.00 0.00 O ATOM 994 NE2 GLN A 66 -4.053 9.253 -8.895 1.00 0.00 N ATOM 0 H GLN A 66 -3.707 7.406 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.004 9.462 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.816 7.909 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.936 9.093 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.608 10.903 -6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.573 9.675 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.060 9.028 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.659 9.126 -9.706 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.694 11.153 -2.897 1.00 0.00 N ATOM 1004 CA VAL A 67 -3.110 12.249 -2.030 1.00 0.00 C ATOM 1005 C VAL A 67 -3.589 13.444 -2.847 1.00 0.00 C ATOM 1006 O VAL A 67 -2.805 14.140 -3.493 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.964 12.700 -1.106 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.431 13.810 -0.177 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.426 11.519 -0.310 1.00 0.00 C ATOM 0 H VAL A 67 -1.702 11.156 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.933 11.875 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.156 13.092 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.607 14.115 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.764 14.663 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.257 13.448 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.617 11.855 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.225 11.096 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.050 10.759 -0.995 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.907 13.689 -2.819 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.521 14.801 -3.551 1.00 0.00 C ATOM 1021 C PRO A 68 -5.156 16.158 -2.958 1.00 0.00 C ATOM 1022 O PRO A 68 -4.451 16.236 -1.952 1.00 0.00 O ATOM 1023 CB PRO A 68 -7.021 14.539 -3.403 1.00 0.00 C ATOM 1024 CG PRO A 68 -7.144 13.742 -2.150 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.900 12.901 -2.070 1.00 0.00 C ATOM 0 HA PRO A 68 -5.182 14.843 -4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.581 15.472 -3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.414 13.992 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.231 14.393 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.037 13.117 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.589 12.740 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.051 11.917 -2.515 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.642 17.223 -3.586 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.369 18.576 -3.118 1.00 0.00 C ATOM 1035 C ALA A 69 -6.039 18.838 -1.774 1.00 0.00 C ATOM 1036 O ALA A 69 -5.414 19.356 -0.849 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.832 19.595 -4.148 1.00 0.00 C ATOM 0 H ALA A 69 -6.227 17.175 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.292 18.676 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.622 20.601 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.303 19.430 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.904 19.485 -4.312 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.315 18.478 -1.674 1.00 0.00 N ATOM 1044 CA GLU A 70 -8.070 18.676 -0.442 1.00 0.00 C ATOM 1045 C GLU A 70 -7.270 18.203 0.769 1.00 0.00 C ATOM 1046 O GLU A 70 -7.235 18.870 1.802 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.404 17.929 -0.509 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.435 18.604 -1.398 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.996 19.871 -0.781 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -11.238 19.879 0.444 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.193 20.855 -1.525 1.00 0.00 O ATOM 0 H GLU A 70 -7.847 18.048 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.264 19.743 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.227 16.918 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.810 17.836 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.980 18.843 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.251 17.908 -1.595 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.630 17.047 0.632 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.833 16.482 1.714 1.00 0.00 C ATOM 1060 C TYR A 71 -5.154 17.583 2.523 1.00 0.00 C ATOM 1061 O TYR A 71 -4.653 18.568 1.980 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.782 15.522 1.154 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.977 14.816 2.222 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -3.020 15.497 2.963 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.176 13.467 2.490 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.282 14.855 3.939 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.443 12.817 3.465 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.498 13.515 4.186 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.766 12.872 5.158 1.00 0.00 O ATOM 0 H TYR A 71 -6.648 16.483 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.502 15.931 2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.278 14.777 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.103 16.077 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.850 16.546 2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.916 12.917 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.540 15.399 4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.610 11.768 3.661 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.041 13.195 6.042 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.136 17.413 3.853 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.729 16.244 4.510 1.00 0.00 C ATOM 1081 C PRO A 72 -7.252 16.248 4.433 1.00 0.00 C ATOM 1082 O PRO A 72 -7.891 15.199 4.530 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.267 16.382 5.963 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.022 17.840 6.147 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.534 18.348 4.818 1.00 0.00 C ATOM 0 HA PRO A 72 -5.422 15.311 4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.026 16.018 6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.362 15.802 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.934 18.354 6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.282 18.016 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.855 19.374 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.446 18.340 4.760 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.829 17.433 4.258 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.278 17.572 4.167 1.00 0.00 C ATOM 1095 C HIS A 73 -9.905 16.328 3.545 1.00 0.00 C ATOM 1096 O HIS A 73 -10.906 15.812 4.041 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.642 18.807 3.344 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.888 20.038 3.744 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.546 21.034 2.854 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.411 20.431 4.948 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -7.890 21.986 3.493 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -7.795 21.644 4.766 1.00 0.00 N ATOM 0 H HIS A 73 -7.315 18.310 4.176 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.671 17.689 5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.451 18.601 2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.711 18.997 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.499 19.891 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.498 22.890 3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.338 22.192 5.495 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.309 15.852 2.456 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.811 14.670 1.765 1.00 0.00 C ATOM 1113 C GLU A 74 -8.847 13.498 1.922 1.00 0.00 C ATOM 1114 O GLU A 74 -7.629 13.680 1.946 1.00 0.00 O ATOM 1115 CB GLU A 74 -10.028 14.972 0.281 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.817 13.899 -0.450 1.00 0.00 C ATOM 1117 CD GLU A 74 -12.316 14.076 -0.304 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.745 14.696 0.692 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -13.059 13.596 -1.185 1.00 0.00 O ATOM 0 H GLU A 74 -8.478 16.267 2.034 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.765 14.396 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.551 15.924 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.058 15.091 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.554 13.917 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.532 12.919 -0.067 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.400 12.294 2.028 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.590 11.091 2.181 1.00 0.00 C ATOM 1128 C VAL A 75 -7.996 10.655 0.847 1.00 0.00 C ATOM 1129 O VAL A 75 -8.636 10.734 -0.202 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.414 9.930 2.768 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.906 10.277 4.165 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.581 9.590 1.853 1.00 0.00 C ATOM 0 H VAL A 75 -10.406 12.126 2.011 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.783 11.339 2.871 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.772 9.053 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.486 9.445 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.052 10.468 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.533 11.167 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.153 8.768 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.225 10.463 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.202 9.296 0.874 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.742 10.181 0.884 1.00 0.00 N ATOM 1143 CA PRO A 76 -6.033 9.721 -0.314 1.00 0.00 C ATOM 1144 C PRO A 76 -6.611 8.423 -0.867 1.00 0.00 C ATOM 1145 O PRO A 76 -6.765 7.442 -0.139 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.602 9.500 0.182 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.744 9.237 1.642 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.918 10.058 2.098 1.00 0.00 C ATOM 0 HA PRO A 76 -6.109 10.437 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.132 8.659 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.979 10.375 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.911 8.177 1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.838 9.519 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.462 9.567 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.605 11.033 2.472 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.930 8.424 -2.157 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.491 7.245 -2.806 1.00 0.00 C ATOM 1158 C GLN A 77 -6.529 6.065 -2.717 1.00 0.00 C ATOM 1159 O GLN A 77 -5.460 6.076 -3.327 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.812 7.547 -4.271 1.00 0.00 C ATOM 1161 CG GLN A 77 -9.188 8.160 -4.478 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.673 8.035 -5.909 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -9.427 7.029 -6.574 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.368 9.059 -6.390 1.00 0.00 N ATOM 0 H GLN A 77 -6.810 9.228 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.412 6.980 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.057 8.226 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.744 6.624 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.902 7.674 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.158 9.213 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.549 9.873 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.721 9.031 -7.346 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.917 5.048 -1.955 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.089 3.860 -1.787 1.00 0.00 C ATOM 1175 C ILE A 78 -6.265 2.898 -2.957 1.00 0.00 C ATOM 1176 O ILE A 78 -7.360 2.389 -3.197 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.421 3.123 -0.476 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.195 4.044 0.724 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.578 1.863 -0.350 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.429 4.819 1.131 1.00 0.00 C ATOM 0 H ILE A 78 -7.800 5.023 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.054 4.199 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.472 2.834 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.855 3.448 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.396 4.747 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.823 1.353 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.784 1.202 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.521 2.131 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.196 5.451 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.758 5.442 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.224 4.123 1.400 1.00 0.00 H new ATOM 1192 N SER A 79 -5.179 2.651 -3.682 1.00 0.00 N ATOM 1193 CA SER A 79 -5.213 1.751 -4.829 1.00 0.00 C ATOM 1194 C SER A 79 -4.090 0.722 -4.745 1.00 0.00 C ATOM 1195 O SER A 79 -3.069 0.952 -4.096 1.00 0.00 O ATOM 1196 CB SER A 79 -5.096 2.546 -6.131 1.00 0.00 C ATOM 1197 OG SER A 79 -6.226 3.380 -6.322 1.00 0.00 O ATOM 0 H SER A 79 -4.264 3.062 -3.495 1.00 0.00 H new ATOM 0 HA SER A 79 -6.167 1.224 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.191 3.153 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.000 1.860 -6.972 1.00 0.00 H new ATOM 0 HG SER A 79 -6.127 3.879 -7.160 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.286 -0.413 -5.407 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.290 -1.478 -5.409 1.00 0.00 C ATOM 1205 C ILE A 80 -2.762 -1.734 -6.817 1.00 0.00 C ATOM 1206 O ILE A 80 -3.535 -1.916 -7.757 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.866 -2.789 -4.843 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.271 -2.603 -3.379 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.853 -3.915 -4.979 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.953 -3.815 -2.782 1.00 0.00 C ATOM 0 H ILE A 80 -5.125 -0.619 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.471 -1.145 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.755 -3.055 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.383 -2.370 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.939 -1.745 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.275 -4.835 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.609 -4.060 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.948 -3.658 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.212 -3.612 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.860 -4.037 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.279 -4.671 -2.827 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.440 -1.747 -6.953 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.808 -1.982 -8.246 1.00 0.00 C ATOM 1224 C ARG A 81 -0.116 -3.342 -8.274 1.00 0.00 C ATOM 1225 O ARG A 81 0.401 -3.807 -7.259 1.00 0.00 O ATOM 1226 CB ARG A 81 0.205 -0.876 -8.550 1.00 0.00 C ATOM 1227 CG ARG A 81 0.603 -0.802 -10.015 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.305 0.139 -10.792 1.00 0.00 C ATOM 1229 NE ARG A 81 -0.361 -0.201 -12.211 1.00 0.00 N ATOM 1230 CZ ARG A 81 -1.360 0.151 -13.012 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -2.381 0.851 -12.537 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -1.340 -0.197 -14.293 1.00 0.00 N ATOM 0 H ARG A 81 -0.786 -1.598 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.586 -1.974 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.215 0.083 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.099 -1.037 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.636 -0.462 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.559 -1.798 -10.456 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.310 0.103 -10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.052 1.163 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 81 0.409 -0.738 -12.609 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.401 1.121 -11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.147 1.120 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.557 -0.735 -14.663 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.108 0.074 -14.907 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.110 -3.973 -9.443 1.00 0.00 N ATOM 1247 CA ASN A 82 0.517 -5.280 -9.603 1.00 0.00 C ATOM 1248 C ASN A 82 0.215 -6.179 -8.408 1.00 0.00 C ATOM 1249 O ASN A 82 1.114 -6.711 -7.757 1.00 0.00 O ATOM 1250 CB ASN A 82 2.030 -5.125 -9.770 1.00 0.00 C ATOM 1251 CG ASN A 82 2.656 -4.324 -8.645 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.779 -4.805 -7.519 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.056 -3.094 -8.947 1.00 0.00 N ATOM 0 H ASN A 82 -0.532 -3.601 -10.294 1.00 0.00 H new ATOM 0 HA ASN A 82 0.105 -5.746 -10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.491 -6.112 -9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.240 -4.636 -10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.485 -2.507 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.934 -2.736 -9.894 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.082 -6.353 -8.112 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.534 -7.188 -6.995 1.00 0.00 C ATOM 1262 C PRO A 83 -1.290 -8.672 -7.245 1.00 0.00 C ATOM 1263 O PRO A 83 -2.148 -9.368 -7.788 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.035 -6.897 -6.919 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.407 -6.469 -8.296 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.207 -5.749 -8.845 1.00 0.00 C ATOM 0 HA PRO A 83 -0.996 -6.963 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.595 -7.781 -6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.251 -6.116 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.664 -7.328 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.280 -5.816 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.109 -5.893 -9.921 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.269 -4.675 -8.672 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.116 -9.150 -6.846 1.00 0.00 N ATOM 1275 CA ARG A 84 0.240 -10.552 -7.028 1.00 0.00 C ATOM 1276 C ARG A 84 0.226 -11.294 -5.694 1.00 0.00 C ATOM 1277 O ARG A 84 0.500 -10.712 -4.646 1.00 0.00 O ATOM 1278 CB ARG A 84 1.620 -10.670 -7.676 1.00 0.00 C ATOM 1279 CG ARG A 84 2.085 -12.105 -7.862 1.00 0.00 C ATOM 1280 CD ARG A 84 1.265 -12.823 -8.923 1.00 0.00 C ATOM 1281 NE ARG A 84 1.702 -12.483 -10.275 1.00 0.00 N ATOM 1282 CZ ARG A 84 1.212 -11.462 -10.970 1.00 0.00 C ATOM 1283 NH1 ARG A 84 0.275 -10.686 -10.444 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.660 -11.217 -12.195 1.00 0.00 N ATOM 0 H ARG A 84 0.605 -8.587 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.501 -11.007 -7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.600 -10.175 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.347 -10.138 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.137 -12.114 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.006 -12.640 -6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.345 -13.900 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.213 -12.563 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 84 2.422 -13.061 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.072 -10.872 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.099 -9.903 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.381 -11.813 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.284 -10.433 -12.728 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.095 -12.584 -5.743 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.138 -13.384 -4.533 1.00 0.00 C ATOM 1300 C GLY A 85 -1.509 -13.383 -3.887 1.00 0.00 C ATOM 1301 O GLY A 85 -1.963 -14.407 -3.375 1.00 0.00 O ATOM 0 H GLY A 85 -0.326 -13.089 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.149 -14.409 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.595 -13.003 -3.823 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.171 -12.231 -3.908 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.498 -12.100 -3.318 1.00 0.00 C ATOM 1307 C LEU A 86 -4.584 -12.397 -4.347 1.00 0.00 C ATOM 1308 O LEU A 86 -4.309 -12.493 -5.543 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.689 -10.692 -2.750 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.663 -10.244 -1.708 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.470 -8.737 -1.764 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.093 -10.677 -0.314 1.00 0.00 C ATOM 0 H LEU A 86 -1.810 -11.374 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.582 -12.826 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.671 -9.983 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.681 -10.634 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.710 -10.721 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.737 -8.436 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.116 -8.452 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.419 -8.241 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.351 -10.349 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.058 -10.229 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.179 -11.763 -0.281 1.00 0.00 H new ATOM 1324 N SER A 87 -5.818 -12.538 -3.875 1.00 0.00 N ATOM 1325 CA SER A 87 -6.945 -12.825 -4.754 1.00 0.00 C ATOM 1326 C SER A 87 -7.938 -11.666 -4.761 1.00 0.00 C ATOM 1327 O SER A 87 -7.991 -10.875 -3.820 1.00 0.00 O ATOM 1328 CB SER A 87 -7.648 -14.111 -4.314 1.00 0.00 C ATOM 1329 OG SER A 87 -6.731 -15.188 -4.224 1.00 0.00 O ATOM 0 H SER A 87 -6.063 -12.458 -2.888 1.00 0.00 H new ATOM 0 HA SER A 87 -6.560 -12.957 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.127 -13.955 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.437 -14.359 -5.024 1.00 0.00 H new ATOM 0 HG SER A 87 -7.204 -15.998 -3.939 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.722 -11.574 -5.829 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.714 -10.513 -5.960 1.00 0.00 C ATOM 1337 C ASP A 88 -10.378 -10.222 -4.618 1.00 0.00 C ATOM 1338 O ASP A 88 -10.482 -9.069 -4.203 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.772 -10.900 -6.994 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.209 -10.970 -8.400 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -9.292 -10.181 -8.712 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -10.686 -11.813 -9.188 1.00 0.00 O ATOM 0 H ASP A 88 -8.690 -12.221 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.203 -9.610 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.199 -11.867 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.585 -10.174 -6.967 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.828 -11.277 -3.945 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.485 -11.134 -2.651 1.00 0.00 C ATOM 1349 C GLU A 89 -10.642 -10.284 -1.705 1.00 0.00 C ATOM 1350 O GLU A 89 -11.091 -9.244 -1.222 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.741 -12.508 -2.029 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.051 -13.140 -2.468 1.00 0.00 C ATOM 1353 CD GLU A 89 -14.250 -12.561 -1.742 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.342 -11.320 -1.644 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -15.096 -13.351 -1.272 1.00 0.00 O ATOM 0 H GLU A 89 -10.750 -12.239 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.440 -10.632 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.920 -13.175 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.739 -12.412 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.177 -12.998 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.009 -14.215 -2.292 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.419 -10.735 -1.444 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.514 -10.017 -0.555 1.00 0.00 C ATOM 1364 C GLN A 90 -8.333 -8.573 -1.012 1.00 0.00 C ATOM 1365 O GLN A 90 -8.661 -7.635 -0.284 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.157 -10.720 -0.497 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.082 -11.813 0.557 1.00 0.00 C ATOM 1368 CD GLN A 90 -5.665 -12.293 0.800 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.223 -13.281 0.213 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -4.944 -11.595 1.670 1.00 0.00 N ATOM 0 H GLN A 90 -9.033 -11.594 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.955 -10.011 0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.940 -11.153 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.382 -9.980 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.501 -11.440 1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.699 -12.656 0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.351 -10.783 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.984 -11.871 1.874 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.809 -8.402 -2.221 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.585 -7.073 -2.775 1.00 0.00 C ATOM 1381 C ILE A 91 -8.729 -6.130 -2.421 1.00 0.00 C ATOM 1382 O ILE A 91 -8.517 -5.075 -1.822 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.429 -7.120 -4.307 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.213 -7.965 -4.691 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -7.302 -5.712 -4.870 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.231 -8.430 -6.131 1.00 0.00 C ATOM 0 H ILE A 91 -7.532 -9.167 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.660 -6.700 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.319 -7.582 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.307 -7.384 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.164 -8.836 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.192 -5.762 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.195 -5.139 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.427 -5.225 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.339 -9.023 -6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.119 -9.038 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.248 -7.564 -6.793 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.945 -6.517 -2.794 1.00 0.00 N ATOM 1399 CA HIS A 92 -11.125 -5.707 -2.513 1.00 0.00 C ATOM 1400 C HIS A 92 -11.167 -5.298 -1.044 1.00 0.00 C ATOM 1401 O HIS A 92 -11.369 -4.128 -0.719 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.396 -6.476 -2.877 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.562 -5.591 -3.192 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.206 -5.600 -4.411 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -14.201 -4.666 -2.438 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.190 -4.719 -4.394 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -15.209 -4.139 -3.207 1.00 0.00 N ATOM 0 H HIS A 92 -10.139 -7.386 -3.291 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.068 -4.804 -3.121 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.191 -7.113 -3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.663 -7.133 -2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.962 -4.393 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.864 -4.509 -5.211 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.866 -3.417 -2.910 1.00 0.00 H new ATOM 1416 N THR A 93 -10.976 -6.271 -0.158 1.00 0.00 N ATOM 1417 CA THR A 93 -10.993 -6.013 1.276 1.00 0.00 C ATOM 1418 C THR A 93 -9.957 -4.963 1.659 1.00 0.00 C ATOM 1419 O THR A 93 -10.302 -3.885 2.143 1.00 0.00 O ATOM 1420 CB THR A 93 -10.726 -7.299 2.081 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.617 -8.336 1.658 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.901 -7.050 3.572 1.00 0.00 C ATOM 0 H THR A 93 -10.808 -7.245 -0.409 1.00 0.00 H new ATOM 0 HA THR A 93 -11.989 -5.641 1.518 1.00 0.00 H new ATOM 0 HB THR A 93 -9.697 -7.608 1.898 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.313 -8.699 0.800 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.707 -7.972 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.201 -6.281 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.921 -6.719 3.768 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.687 -5.283 1.437 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.601 -4.366 1.757 1.00 0.00 C ATOM 1432 C ILE A 94 -7.961 -2.933 1.377 1.00 0.00 C ATOM 1433 O ILE A 94 -7.617 -1.986 2.085 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.297 -4.763 1.039 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.874 -6.175 1.450 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.195 -3.762 1.350 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.813 -6.772 0.552 1.00 0.00 C ATOM 0 H ILE A 94 -8.385 -6.171 1.037 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.445 -4.426 2.834 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.474 -4.755 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.501 -6.150 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.750 -6.824 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.280 -4.056 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.498 -2.771 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.016 -3.740 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.561 -7.773 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.190 -6.829 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.922 -6.145 0.575 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.657 -2.783 0.256 1.00 0.00 N ATOM 1450 CA LEU A 95 -9.067 -1.465 -0.219 1.00 0.00 C ATOM 1451 C LEU A 95 -10.082 -0.836 0.730 1.00 0.00 C ATOM 1452 O LEU A 95 -9.775 0.130 1.428 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.663 -1.571 -1.624 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.697 -1.987 -2.733 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.460 -2.546 -3.924 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.832 -0.809 -3.157 1.00 0.00 C ATOM 0 H LEU A 95 -8.949 -3.556 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.184 -0.827 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.483 -2.289 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.094 -0.605 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.045 -2.770 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.756 -2.837 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.035 -3.417 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.137 -1.785 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.150 -1.124 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.468 -0.004 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.257 -0.454 -2.302 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.289 -1.392 0.751 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.348 -0.885 1.616 1.00 0.00 C ATOM 1470 C GLN A 96 -11.836 -0.676 3.038 1.00 0.00 C ATOM 1471 O GLN A 96 -12.055 0.375 3.639 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.534 -1.850 1.625 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.159 -3.271 2.015 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.336 -4.224 1.949 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -15.266 -4.027 1.167 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.302 -5.265 2.773 1.00 0.00 N ATOM 0 H GLN A 96 -11.558 -2.193 0.180 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.675 0.077 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.289 -1.479 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.990 -1.862 0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.369 -3.629 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.753 -3.271 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.511 -5.390 3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.067 -5.940 2.774 1.00 0.00 H new ATOM 1485 N VAL A 97 -11.153 -1.685 3.570 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.610 -1.612 4.921 1.00 0.00 C ATOM 1487 C VAL A 97 -9.727 -0.381 5.092 1.00 0.00 C ATOM 1488 O VAL A 97 -9.891 0.387 6.042 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.789 -2.870 5.264 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -9.074 -2.693 6.595 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.685 -4.099 5.289 1.00 0.00 C ATOM 0 H VAL A 97 -10.963 -2.562 3.086 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.459 -1.544 5.601 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.035 -3.014 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.499 -3.591 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.402 -1.837 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.808 -2.524 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.089 -4.979 5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.462 -3.967 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.146 -4.233 4.311 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.792 -0.197 4.167 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.882 0.943 4.215 1.00 0.00 C ATOM 1503 C LEU A 98 -8.647 2.256 4.082 1.00 0.00 C ATOM 1504 O LEU A 98 -8.333 3.240 4.749 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.837 0.833 3.104 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.694 -0.151 3.353 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.865 -0.337 2.091 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.818 0.327 4.502 1.00 0.00 C ATOM 0 H LEU A 98 -8.644 -0.822 3.375 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.378 0.934 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.344 0.545 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.409 1.821 2.936 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.124 -1.115 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.056 -1.041 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.498 -0.726 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.446 0.622 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.010 -0.386 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.397 1.302 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.418 0.408 5.408 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.656 2.262 3.215 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.451 3.459 3.011 1.00 0.00 C ATOM 1522 C GLY A 99 -10.974 4.035 4.312 1.00 0.00 C ATOM 1523 O GLY A 99 -10.925 5.247 4.526 1.00 0.00 O ATOM 0 H GLY A 99 -9.936 1.460 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.848 4.210 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.291 3.227 2.356 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.479 3.167 5.182 1.00 0.00 N ATOM 1528 CA HIS A 100 -12.015 3.597 6.469 1.00 0.00 C ATOM 1529 C HIS A 100 -10.940 4.291 7.300 1.00 0.00 C ATOM 1530 O HIS A 100 -11.112 5.433 7.727 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.577 2.401 7.237 1.00 0.00 C ATOM 1532 CG HIS A 100 -13.710 1.717 6.536 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -14.918 2.332 6.281 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -13.814 0.464 6.034 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -15.716 1.486 5.654 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -15.069 0.346 5.491 1.00 0.00 N ATOM 0 H HIS A 100 -11.529 2.161 5.020 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.819 4.308 6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -11.777 1.680 7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.916 2.736 8.217 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -13.051 -0.300 6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -16.726 1.692 5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -15.442 -0.487 5.035 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.832 3.594 7.527 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.729 4.143 8.307 1.00 0.00 C ATOM 1547 C VAL A 101 -8.406 5.569 7.873 1.00 0.00 C ATOM 1548 O VAL A 101 -8.210 6.453 8.707 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.461 3.279 8.173 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.313 3.888 8.964 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.738 1.854 8.631 1.00 0.00 C ATOM 0 H VAL A 101 -9.674 2.647 7.182 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.049 4.146 9.349 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.171 3.250 7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.426 3.264 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.101 4.888 8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.589 3.949 10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.832 1.257 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.053 1.862 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.528 1.422 8.017 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.353 5.786 6.563 1.00 0.00 N ATOM 1562 CA ALA A 102 -8.057 7.105 6.018 1.00 0.00 C ATOM 1563 C ALA A 102 -8.841 8.189 6.749 1.00 0.00 C ATOM 1564 O ALA A 102 -8.260 9.098 7.342 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.363 7.142 4.529 1.00 0.00 C ATOM 0 H ALA A 102 -8.511 5.065 5.859 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.995 7.301 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.137 8.133 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.754 6.400 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.418 6.920 4.369 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.165 8.089 6.702 1.00 0.00 N ATOM 1572 CA LYS A 103 -11.031 9.060 7.359 1.00 0.00 C ATOM 1573 C LYS A 103 -10.724 9.141 8.851 1.00 0.00 C ATOM 1574 O LYS A 103 -10.726 10.223 9.437 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.501 8.689 7.149 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.904 8.604 5.687 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.076 7.659 5.486 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.402 8.346 5.773 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.581 8.622 7.225 1.00 0.00 N ATOM 0 H LYS A 103 -10.662 7.344 6.215 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.843 10.037 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.697 7.729 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.128 9.428 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.169 9.597 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.055 8.264 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.072 7.286 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.964 6.794 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.454 9.282 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.220 7.719 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.584 8.516 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.012 7.951 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.272 9.593 7.435 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.459 7.989 9.459 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.147 7.930 10.881 1.00 0.00 C ATOM 1595 C ALA A 104 -8.959 8.823 11.220 1.00 0.00 C ATOM 1596 O ALA A 104 -8.812 9.275 12.355 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.867 6.495 11.302 1.00 0.00 C ATOM 0 H ALA A 104 -10.454 7.084 8.988 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.013 8.296 11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.635 6.467 12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.745 5.880 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.019 6.109 10.736 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.111 9.074 10.227 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.945 9.912 10.441 1.00 0.00 C ATOM 1605 C GLY A 105 -6.965 11.162 9.584 1.00 0.00 C ATOM 1606 O GLY A 105 -5.942 11.554 9.020 1.00 0.00 O ATOM 0 H GLY A 105 -8.210 8.712 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.894 10.196 11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.044 9.339 10.221 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.131 11.790 9.482 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.281 13.003 8.686 1.00 0.00 C ATOM 1612 C LEU A 106 -7.910 14.238 9.500 1.00 0.00 C ATOM 1613 O LEU A 106 -8.081 14.266 10.718 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.717 13.127 8.175 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.992 12.531 6.794 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.489 12.399 6.558 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.353 13.384 5.708 1.00 0.00 C ATOM 0 H LEU A 106 -8.987 11.479 9.941 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.604 12.935 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.380 12.647 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.983 14.184 8.152 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.549 11.536 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.665 11.973 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.921 11.747 7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.955 13.383 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.559 12.945 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.766 14.392 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.275 13.427 5.866 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.402 15.260 8.818 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.017 16.485 9.494 1.00 0.00 C ATOM 1631 C GLY A 107 -5.548 16.505 9.865 1.00 0.00 C ATOM 1632 O GLY A 107 -4.939 17.571 9.965 1.00 0.00 O ATOM 0 H GLY A 107 -7.250 15.261 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.238 17.336 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.618 16.603 10.396 1.00 0.00 H new ATOM 1636 N THR A 108 -4.975 15.324 10.074 1.00 0.00 N ATOM 1637 CA THR A 108 -3.569 15.209 10.439 1.00 0.00 C ATOM 1638 C THR A 108 -2.886 14.096 9.654 1.00 0.00 C ATOM 1639 O THR A 108 -3.539 13.336 8.940 1.00 0.00 O ATOM 1640 CB THR A 108 -3.401 14.938 11.946 1.00 0.00 C ATOM 1641 OG1 THR A 108 -4.229 13.839 12.342 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.762 16.170 12.762 1.00 0.00 C ATOM 0 H THR A 108 -5.464 14.432 9.996 1.00 0.00 H new ATOM 0 HA THR A 108 -3.100 16.162 10.194 1.00 0.00 H new ATOM 0 HB THR A 108 -2.356 14.691 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.115 13.672 13.301 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.635 15.954 13.823 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.110 16.997 12.480 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.799 16.443 12.569 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.567 14.004 9.793 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.796 12.980 9.098 1.00 0.00 C ATOM 1652 C ALA A 109 -1.461 11.614 9.220 1.00 0.00 C ATOM 1653 O ALA A 109 -1.740 11.145 10.324 1.00 0.00 O ATOM 1654 CB ALA A 109 0.624 12.929 9.644 1.00 0.00 C ATOM 0 H ALA A 109 -1.011 14.626 10.380 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.759 13.243 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.189 12.160 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.105 13.897 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.597 12.693 10.708 1.00 0.00 H new ATOM 1660 N MET A 110 -1.715 10.980 8.080 1.00 0.00 N ATOM 1661 CA MET A 110 -2.348 9.667 8.060 1.00 0.00 C ATOM 1662 C MET A 110 -1.479 8.655 7.319 1.00 0.00 C ATOM 1663 O MET A 110 -1.418 7.483 7.692 1.00 0.00 O ATOM 1664 CB MET A 110 -3.726 9.751 7.402 1.00 0.00 C ATOM 1665 CG MET A 110 -3.743 10.585 6.131 1.00 0.00 C ATOM 1666 SD MET A 110 -5.252 10.358 5.171 1.00 0.00 S ATOM 1667 CE MET A 110 -6.249 11.715 5.782 1.00 0.00 C ATOM 0 H MET A 110 -1.492 11.355 7.158 1.00 0.00 H new ATOM 0 HA MET A 110 -2.465 9.333 9.091 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.071 8.743 7.170 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.434 10.174 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.637 11.638 6.391 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.883 10.321 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.200 11.330 6.151 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.721 12.218 6.592 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.433 12.423 4.974 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.808 9.116 6.270 1.00 0.00 N ATOM 1678 CA LEU A 111 0.059 8.251 5.476 1.00 0.00 C ATOM 1679 C LEU A 111 0.733 7.202 6.354 1.00 0.00 C ATOM 1680 O LEU A 111 0.658 6.005 6.078 1.00 0.00 O ATOM 1681 CB LEU A 111 1.118 9.084 4.751 1.00 0.00 C ATOM 1682 CG LEU A 111 0.593 10.226 3.881 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.732 11.140 3.456 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.135 9.678 2.662 1.00 0.00 C ATOM 0 H LEU A 111 -0.847 10.083 5.949 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.558 7.738 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.795 9.503 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.709 8.417 4.123 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.115 10.809 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.339 11.947 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.210 11.561 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.464 10.568 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.502 10.506 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.551 9.070 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.976 9.065 2.986 1.00 0.00 H new ATOM 1696 N TYR A 112 1.391 7.660 7.413 1.00 0.00 N ATOM 1697 CA TYR A 112 2.080 6.762 8.332 1.00 0.00 C ATOM 1698 C TYR A 112 1.163 5.625 8.773 1.00 0.00 C ATOM 1699 O TYR A 112 1.487 4.450 8.602 1.00 0.00 O ATOM 1700 CB TYR A 112 2.577 7.533 9.556 1.00 0.00 C ATOM 1701 CG TYR A 112 3.433 6.704 10.487 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.811 6.636 10.320 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.864 5.989 11.534 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.597 5.880 11.169 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.642 5.231 12.387 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.008 5.180 12.201 1.00 0.00 C ATOM 1707 OH TYR A 112 5.786 4.425 13.048 1.00 0.00 O ATOM 0 H TYR A 112 1.462 8.648 7.656 1.00 0.00 H new ATOM 0 HA TYR A 112 2.935 6.334 7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.150 8.398 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.718 7.914 10.108 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.276 7.183 9.513 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.795 6.027 11.683 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.667 5.838 11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.183 4.681 13.195 1.00 0.00 H new ATOM 0 HH TYR A 112 5.216 3.997 13.721 1.00 0.00 H new ATOM 1717 N GLU A 113 0.015 5.985 9.339 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.950 4.995 9.804 1.00 0.00 C ATOM 1719 C GLU A 113 -1.329 4.035 8.680 1.00 0.00 C ATOM 1720 O GLU A 113 -1.116 2.826 8.783 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.204 5.687 10.342 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.093 6.100 11.800 1.00 0.00 C ATOM 1723 CD GLU A 113 -1.234 7.335 11.992 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -1.255 8.217 11.109 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -0.540 7.419 13.027 1.00 0.00 O ATOM 0 H GLU A 113 -0.269 6.953 9.486 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.486 4.422 10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.409 6.571 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.056 5.017 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.090 6.290 12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.672 5.276 12.376 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.891 4.581 7.608 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.300 3.773 6.464 1.00 0.00 C ATOM 1734 C LEU A 114 -1.245 2.722 6.133 1.00 0.00 C ATOM 1735 O LEU A 114 -1.568 1.559 5.892 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.546 4.666 5.246 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.848 5.469 5.254 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.712 6.714 4.391 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.008 4.609 4.774 1.00 0.00 C ATOM 0 H LEU A 114 -2.074 5.579 7.506 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.226 3.261 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.713 5.363 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.534 4.040 4.353 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.053 5.782 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.648 7.273 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.908 7.340 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.482 6.423 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.926 5.197 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.811 4.266 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.120 3.748 5.433 1.00 0.00 H new ATOM 1751 N ILE A 115 0.016 3.140 6.126 1.00 0.00 N ATOM 1752 CA ILE A 115 1.118 2.234 5.829 1.00 0.00 C ATOM 1753 C ILE A 115 1.201 1.112 6.858 1.00 0.00 C ATOM 1754 O ILE A 115 1.345 -0.058 6.505 1.00 0.00 O ATOM 1755 CB ILE A 115 2.465 2.980 5.790 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.468 4.015 4.663 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.611 1.994 5.614 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.530 5.079 4.823 1.00 0.00 C ATOM 0 H ILE A 115 0.300 4.100 6.323 1.00 0.00 H new ATOM 0 HA ILE A 115 0.919 1.808 4.846 1.00 0.00 H new ATOM 0 HB ILE A 115 2.602 3.502 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.617 3.504 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.490 4.494 4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.556 2.536 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.618 1.292 6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.481 1.447 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.473 5.778 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.369 5.616 5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.514 4.611 4.838 1.00 0.00 H new ATOM 1770 N GLU A 116 1.107 1.478 8.133 1.00 0.00 N ATOM 1771 CA GLU A 116 1.170 0.501 9.214 1.00 0.00 C ATOM 1772 C GLU A 116 0.055 -0.532 9.080 1.00 0.00 C ATOM 1773 O GLU A 116 0.265 -1.723 9.307 1.00 0.00 O ATOM 1774 CB GLU A 116 1.070 1.202 10.571 1.00 0.00 C ATOM 1775 CG GLU A 116 2.191 2.195 10.826 1.00 0.00 C ATOM 1776 CD GLU A 116 2.046 2.909 12.156 1.00 0.00 C ATOM 1777 OE1 GLU A 116 1.237 3.856 12.236 1.00 0.00 O ATOM 1778 OE2 GLU A 116 2.743 2.520 13.117 1.00 0.00 O ATOM 0 H GLU A 116 0.987 2.443 8.442 1.00 0.00 H new ATOM 0 HA GLU A 116 2.128 -0.014 9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.114 1.722 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.075 0.450 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.147 1.672 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.209 2.931 10.023 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.133 -0.066 8.709 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.283 -0.947 8.543 1.00 0.00 C ATOM 1787 C LYS A 117 -1.996 -2.026 7.504 1.00 0.00 C ATOM 1788 O LYS A 117 -2.000 -3.217 7.814 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.515 -0.139 8.128 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.763 -0.985 7.942 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.249 -1.559 9.262 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.988 -0.514 10.085 1.00 0.00 C ATOM 1793 NZ LYS A 117 -5.845 -0.758 11.547 1.00 0.00 N ATOM 0 H LYS A 117 -1.324 0.917 8.518 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.479 -1.431 9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.711 0.622 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.299 0.385 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.551 -0.379 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.553 -1.797 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.908 -2.406 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.399 -1.937 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.604 0.477 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.045 -0.521 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.362 -0.025 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.234 -1.693 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.839 -0.726 11.807 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.746 -1.601 6.269 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.459 -2.544 5.203 1.00 0.00 C ATOM 1809 C GLY A 118 -0.507 -3.640 5.640 1.00 0.00 C ATOM 1810 O GLY A 118 -0.849 -4.822 5.601 1.00 0.00 O ATOM 0 H GLY A 118 -1.737 -0.621 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.391 -2.992 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.029 -2.010 4.356 1.00 0.00 H new ATOM 1814 N LYS A 119 0.692 -3.248 6.055 1.00 0.00 N ATOM 1815 CA LYS A 119 1.698 -4.205 6.501 1.00 0.00 C ATOM 1816 C LYS A 119 1.081 -5.257 7.417 1.00 0.00 C ATOM 1817 O LYS A 119 1.316 -6.453 7.249 1.00 0.00 O ATOM 1818 CB LYS A 119 2.833 -3.481 7.229 1.00 0.00 C ATOM 1819 CG LYS A 119 3.683 -2.611 6.319 1.00 0.00 C ATOM 1820 CD LYS A 119 5.029 -2.295 6.948 1.00 0.00 C ATOM 1821 CE LYS A 119 4.927 -1.140 7.933 1.00 0.00 C ATOM 1822 NZ LYS A 119 4.488 -1.599 9.281 1.00 0.00 N ATOM 0 H LYS A 119 0.991 -2.274 6.092 1.00 0.00 H new ATOM 0 HA LYS A 119 2.101 -4.707 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.409 -2.861 8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.472 -4.220 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.836 -3.119 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.154 -1.683 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.409 -3.179 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.747 -2.046 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.895 -0.646 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.222 -0.400 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.836 -0.937 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.449 -1.633 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.872 -2.548 9.467 1.00 0.00 H new ATOM 1836 N GLU A 120 0.291 -4.802 8.384 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.360 -5.705 9.326 1.00 0.00 C ATOM 1838 C GLU A 120 -1.377 -6.593 8.614 1.00 0.00 C ATOM 1839 O GLU A 120 -1.377 -7.813 8.783 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.050 -4.909 10.436 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.087 -4.327 11.457 1.00 0.00 C ATOM 1842 CD GLU A 120 -0.797 -3.580 12.569 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -1.582 -2.660 12.257 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -0.567 -3.914 13.750 1.00 0.00 O ATOM 0 H GLU A 120 0.086 -3.814 8.536 1.00 0.00 H new ATOM 0 HA GLU A 120 0.406 -6.342 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.624 -4.098 9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.761 -5.557 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.510 -5.131 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.605 -3.651 10.954 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.241 -5.972 7.819 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.262 -6.705 7.081 1.00 0.00 C ATOM 1853 C ILE A 121 -2.703 -8.004 6.512 1.00 0.00 C ATOM 1854 O ILE A 121 -3.344 -9.054 6.584 1.00 0.00 O ATOM 1855 CB ILE A 121 -3.841 -5.861 5.931 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.593 -4.649 6.486 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -4.758 -6.708 5.062 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.998 -3.651 5.424 1.00 0.00 C ATOM 0 H ILE A 121 -2.255 -4.963 7.669 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.059 -6.934 7.789 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.018 -5.502 5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.485 -4.993 7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.965 -4.148 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.159 -6.097 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.194 -7.541 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.578 -7.094 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.526 -2.819 5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.108 -3.278 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.652 -4.136 4.699 1.00 0.00 H new ATOM 1870 N LEU A 122 -1.503 -7.928 5.948 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.855 -9.099 5.367 1.00 0.00 C ATOM 1872 C LEU A 122 -0.422 -10.077 6.454 1.00 0.00 C ATOM 1873 O LEU A 122 -0.616 -11.286 6.329 1.00 0.00 O ATOM 1874 CB LEU A 122 0.357 -8.675 4.535 1.00 0.00 C ATOM 1875 CG LEU A 122 0.055 -8.142 3.134 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.300 -7.519 2.521 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.480 -9.255 2.244 1.00 0.00 C ATOM 0 H LEU A 122 -0.959 -7.068 5.880 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.576 -9.599 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.900 -7.906 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.025 -9.531 4.440 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.710 -7.370 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.067 -7.145 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.640 -6.694 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.086 -8.271 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.690 -8.858 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.263 -10.049 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.397 -9.656 2.675 1.00 0.00 H new ATOM 1889 N SER A 123 0.164 -9.545 7.523 1.00 0.00 N ATOM 1890 CA SER A 123 0.625 -10.372 8.632 1.00 0.00 C ATOM 1891 C SER A 123 -0.521 -11.198 9.208 1.00 0.00 C ATOM 1892 O SER A 123 -0.428 -12.420 9.315 1.00 0.00 O ATOM 1893 CB SER A 123 1.238 -9.496 9.727 1.00 0.00 C ATOM 1894 OG SER A 123 1.845 -10.288 10.733 1.00 0.00 O ATOM 0 H SER A 123 0.330 -8.546 7.644 1.00 0.00 H new ATOM 0 HA SER A 123 1.386 -11.054 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.979 -8.827 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.465 -8.869 10.171 1.00 0.00 H new ATOM 0 HG SER A 123 2.231 -9.705 11.420 1.00 0.00 H new ATOM 1900 N GLY A 124 -1.603 -10.520 9.578 1.00 0.00 N ATOM 1901 CA GLY A 124 -2.753 -11.206 10.138 1.00 0.00 C ATOM 1902 C GLY A 124 -3.933 -11.232 9.187 1.00 0.00 C ATOM 1903 O GLY A 124 -4.360 -10.202 8.665 1.00 0.00 O ATOM 0 H GLY A 124 -1.704 -9.508 9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.474 -12.228 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.049 -10.715 11.065 1.00 0.00 H new ATOM 1907 N PRO A 125 -4.479 -12.434 8.949 1.00 0.00 N ATOM 1908 CA PRO A 125 -5.623 -12.620 8.052 1.00 0.00 C ATOM 1909 C PRO A 125 -6.911 -12.040 8.628 1.00 0.00 C ATOM 1910 O PRO A 125 -7.592 -12.686 9.424 1.00 0.00 O ATOM 1911 CB PRO A 125 -5.731 -14.141 7.925 1.00 0.00 C ATOM 1912 CG PRO A 125 -5.114 -14.670 9.174 1.00 0.00 C ATOM 1913 CD PRO A 125 -4.021 -13.704 9.537 1.00 0.00 C ATOM 0 HA PRO A 125 -5.482 -12.109 7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -6.770 -14.458 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -5.207 -14.503 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.852 -14.743 9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.714 -15.672 9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.897 -13.625 10.617 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.059 -14.013 9.127 1.00 0.00 H new ATOM 1921 N SER A 126 -7.239 -10.819 8.219 1.00 0.00 N ATOM 1922 CA SER A 126 -8.444 -10.151 8.698 1.00 0.00 C ATOM 1923 C SER A 126 -9.696 -10.834 8.155 1.00 0.00 C ATOM 1924 O SER A 126 -10.191 -10.485 7.083 1.00 0.00 O ATOM 1925 CB SER A 126 -8.434 -8.678 8.286 1.00 0.00 C ATOM 1926 OG SER A 126 -9.578 -8.002 8.779 1.00 0.00 O ATOM 0 H SER A 126 -6.688 -10.272 7.557 1.00 0.00 H new ATOM 0 HA SER A 126 -8.458 -10.217 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.532 -8.197 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.403 -8.601 7.199 1.00 0.00 H new ATOM 0 HG SER A 126 -9.547 -7.062 8.503 1.00 0.00 H new ATOM 1932 N SER A 127 -10.202 -11.809 8.903 1.00 0.00 N ATOM 1933 CA SER A 127 -11.393 -12.545 8.496 1.00 0.00 C ATOM 1934 C SER A 127 -12.422 -11.608 7.870 1.00 0.00 C ATOM 1935 O SER A 127 -12.656 -10.505 8.363 1.00 0.00 O ATOM 1936 CB SER A 127 -12.008 -13.266 9.697 1.00 0.00 C ATOM 1937 OG SER A 127 -13.033 -14.155 9.288 1.00 0.00 O ATOM 0 H SER A 127 -9.806 -12.108 9.794 1.00 0.00 H new ATOM 0 HA SER A 127 -11.097 -13.283 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.234 -13.819 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.414 -12.534 10.395 1.00 0.00 H new ATOM 0 HG SER A 127 -13.409 -14.605 10.074 1.00 0.00 H new ATOM 1943 N GLY A 128 -13.036 -12.058 6.779 1.00 0.00 N ATOM 1944 CA GLY A 128 -14.032 -11.249 6.102 1.00 0.00 C ATOM 1945 C GLY A 128 -15.102 -12.088 5.432 1.00 0.00 C ATOM 1946 O GLY A 128 -14.904 -13.277 5.185 1.00 0.00 O ATOM 0 H GLY A 128 -12.861 -12.968 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -14.499 -10.576 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -13.542 -10.626 5.354 1.00 0.00 H new TER 1950 GLY A 128