USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 677 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 94 CYS SG : rot 133:sc= 1.73 USER MOD Set 1.2: A 101 CYS SG : rot 158:sc= 1.57 USER MOD Set 1.3: A 104 THR OG1 : rot -152:sc= 1.41 USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0.0194 USER MOD Set 3.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 THR OG1 : rot 73:sc= 0.964 USER MOD Set 4.2: A 21 SER OG : rot 91:sc= 0.676 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 3 SER OG : rot 17:sc= 0.0509 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 10 LYS NZ :NH3+ 126:sc= -1.11 (180deg=-2.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00753 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 76:sc= 0.454 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 45 THR OG1 : rot -88:sc= -0.332 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.034 K(o=-0.034,f=-1.5) USER MOD Single : A 58 SER OG : rot 80:sc= -0.531 USER MOD Single : A 61 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-5.1!) USER MOD Single : A 63 THR OG1 : rot -170:sc= -1.78 USER MOD Single : A 66 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.05 K(o=-2,f=-3.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0392 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.7) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.041) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.527 23.782 26.509 1.00 25.10 N ATOM 2 CA ALA A 1 -11.589 24.478 25.229 1.00 74.22 C ATOM 3 C ALA A 1 -12.287 23.628 24.174 1.00 34.12 C ATOM 4 O ALA A 1 -13.440 23.877 23.823 1.00 4.41 O ATOM 5 CB ALA A 1 -10.189 24.854 24.766 1.00 12.41 C ATOM 0 H1 ALA A 1 -11.047 24.384 27.208 1.00 25.10 H new ATOM 0 H2 ALA A 1 -12.491 23.572 26.837 1.00 25.10 H new ATOM 0 H3 ALA A 1 -10.998 22.894 26.396 1.00 25.10 H new ATOM 0 HA ALA A 1 -12.172 25.389 25.366 1.00 74.22 H new ATOM 0 HB1 ALA A 1 -10.249 25.373 23.809 1.00 12.41 H new ATOM 0 HB2 ALA A 1 -9.725 25.507 25.505 1.00 12.41 H new ATOM 0 HB3 ALA A 1 -9.589 23.951 24.652 1.00 12.41 H new ATOM 11 N THR A 2 -11.581 22.620 23.670 1.00 74.20 N ATOM 12 CA THR A 2 -12.132 21.733 22.653 1.00 71.25 C ATOM 13 C THR A 2 -13.225 20.844 23.234 1.00 30.23 C ATOM 14 O THR A 2 -13.121 20.375 24.368 1.00 31.21 O ATOM 15 CB THR A 2 -11.039 20.844 22.031 1.00 32.25 C ATOM 16 OG1 THR A 2 -9.954 20.684 22.952 1.00 31.34 O ATOM 17 CG2 THR A 2 -10.525 21.448 20.733 1.00 74.21 C ATOM 0 H THR A 2 -10.626 22.398 23.950 1.00 74.20 H new ATOM 0 HA THR A 2 -12.558 22.368 21.876 1.00 71.25 H new ATOM 0 HB THR A 2 -11.475 19.869 21.812 1.00 32.25 H new ATOM 0 HG1 THR A 2 -9.264 20.116 22.549 1.00 31.34 H new ATOM 0 HG21 THR A 2 -9.754 20.803 20.312 1.00 74.21 H new ATOM 0 HG22 THR A 2 -11.348 21.541 20.024 1.00 74.21 H new ATOM 0 HG23 THR A 2 -10.105 22.434 20.932 1.00 74.21 H new ATOM 25 N SER A 3 -14.273 20.613 22.450 1.00 51.31 N ATOM 26 CA SER A 3 -15.388 19.782 22.888 1.00 10.20 C ATOM 27 C SER A 3 -15.937 18.955 21.729 1.00 33.43 C ATOM 28 O SER A 3 -16.768 19.427 20.955 1.00 15.33 O ATOM 29 CB SER A 3 -16.499 20.651 23.480 1.00 15.22 C ATOM 30 OG SER A 3 -16.207 21.010 24.820 1.00 3.32 O ATOM 0 H SER A 3 -14.373 20.990 21.508 1.00 51.31 H new ATOM 0 HA SER A 3 -15.021 19.101 23.656 1.00 10.20 H new ATOM 0 HB2 SER A 3 -16.621 21.551 22.877 1.00 15.22 H new ATOM 0 HB3 SER A 3 -17.446 20.112 23.443 1.00 15.22 H new ATOM 0 HG SER A 3 -15.256 20.858 25.000 1.00 3.32 H new ATOM 36 N ALA A 4 -15.464 17.717 21.618 1.00 62.41 N ATOM 37 CA ALA A 4 -15.908 16.822 20.557 1.00 42.41 C ATOM 38 C ALA A 4 -16.287 15.455 21.114 1.00 23.31 C ATOM 39 O ALA A 4 -15.548 14.868 21.906 1.00 51.33 O ATOM 40 CB ALA A 4 -14.825 16.682 19.498 1.00 24.12 C ATOM 0 H ALA A 4 -14.774 17.312 22.250 1.00 62.41 H new ATOM 0 HA ALA A 4 -16.796 17.256 20.097 1.00 42.41 H new ATOM 0 HB1 ALA A 4 -15.170 16.011 18.711 1.00 24.12 H new ATOM 0 HB2 ALA A 4 -14.606 17.660 19.070 1.00 24.12 H new ATOM 0 HB3 ALA A 4 -13.922 16.275 19.953 1.00 24.12 H new ATOM 46 N THR A 5 -17.444 14.950 20.696 1.00 61.32 N ATOM 47 CA THR A 5 -17.922 13.652 21.155 1.00 13.35 C ATOM 48 C THR A 5 -17.964 12.646 20.010 1.00 30.23 C ATOM 49 O THR A 5 -18.207 13.010 18.860 1.00 61.41 O ATOM 50 CB THR A 5 -19.323 13.758 21.782 1.00 65.31 C ATOM 51 OG1 THR A 5 -20.068 14.802 21.142 1.00 32.42 O ATOM 52 CG2 THR A 5 -19.230 14.038 23.275 1.00 13.23 C ATOM 0 H THR A 5 -18.067 15.421 20.040 1.00 61.32 H new ATOM 0 HA THR A 5 -17.219 13.307 21.913 1.00 13.35 H new ATOM 0 HB THR A 5 -19.833 12.806 21.639 1.00 65.31 H new ATOM 0 HG1 THR A 5 -20.959 14.862 21.545 1.00 32.42 H new ATOM 0 HG21 THR A 5 -20.233 14.109 23.695 1.00 13.23 H new ATOM 0 HG22 THR A 5 -18.688 13.229 23.764 1.00 13.23 H new ATOM 0 HG23 THR A 5 -18.702 14.978 23.437 1.00 13.23 H new ATOM 60 N ALA A 6 -17.727 11.378 20.333 1.00 41.34 N ATOM 61 CA ALA A 6 -17.742 10.319 19.332 1.00 45.41 C ATOM 62 C ALA A 6 -18.324 9.031 19.903 1.00 54.23 C ATOM 63 O ALA A 6 -18.434 8.873 21.120 1.00 25.12 O ATOM 64 CB ALA A 6 -16.337 10.077 18.800 1.00 12.23 C ATOM 0 H ALA A 6 -17.522 11.060 21.280 1.00 41.34 H new ATOM 0 HA ALA A 6 -18.380 10.640 18.509 1.00 45.41 H new ATOM 0 HB1 ALA A 6 -16.362 9.284 18.053 1.00 12.23 H new ATOM 0 HB2 ALA A 6 -15.958 10.992 18.345 1.00 12.23 H new ATOM 0 HB3 ALA A 6 -15.683 9.782 19.621 1.00 12.23 H new ATOM 70 N THR A 7 -18.695 8.111 19.019 1.00 52.31 N ATOM 71 CA THR A 7 -19.267 6.837 19.435 1.00 74.11 C ATOM 72 C THR A 7 -18.983 5.745 18.410 1.00 55.12 C ATOM 73 O THR A 7 -19.175 5.941 17.210 1.00 53.41 O ATOM 74 CB THR A 7 -20.789 6.946 19.643 1.00 30.02 C ATOM 75 OG1 THR A 7 -21.119 8.231 20.181 1.00 10.14 O ATOM 76 CG2 THR A 7 -21.287 5.856 20.581 1.00 14.33 C ATOM 0 H THR A 7 -18.609 8.225 18.009 1.00 52.31 H new ATOM 0 HA THR A 7 -18.796 6.574 20.382 1.00 74.11 H new ATOM 0 HB THR A 7 -21.275 6.821 18.675 1.00 30.02 H new ATOM 0 HG1 THR A 7 -22.089 8.293 20.309 1.00 10.14 H new ATOM 0 HG21 THR A 7 -22.365 5.954 20.713 1.00 14.33 H new ATOM 0 HG22 THR A 7 -21.060 4.878 20.156 1.00 14.33 H new ATOM 0 HG23 THR A 7 -20.793 5.954 21.548 1.00 14.33 H new ATOM 84 N PHE A 8 -18.524 4.593 18.890 1.00 62.22 N ATOM 85 CA PHE A 8 -18.213 3.470 18.014 1.00 62.55 C ATOM 86 C PHE A 8 -19.489 2.812 17.499 1.00 44.04 C ATOM 87 O PHE A 8 -20.499 2.756 18.201 1.00 1.42 O ATOM 88 CB PHE A 8 -17.359 2.439 18.757 1.00 3.41 C ATOM 89 CG PHE A 8 -17.120 1.182 17.970 1.00 72.15 C ATOM 90 CD1 PHE A 8 -16.447 1.223 16.760 1.00 70.12 C ATOM 91 CD2 PHE A 8 -17.566 -0.042 18.443 1.00 45.12 C ATOM 92 CE1 PHE A 8 -16.226 0.068 16.034 1.00 70.42 C ATOM 93 CE2 PHE A 8 -17.348 -1.200 17.722 1.00 33.40 C ATOM 94 CZ PHE A 8 -16.676 -1.146 16.517 1.00 50.42 C ATOM 0 H PHE A 8 -18.359 4.413 19.881 1.00 62.22 H new ATOM 0 HA PHE A 8 -17.652 3.851 17.161 1.00 62.55 H new ATOM 0 HB2 PHE A 8 -16.399 2.888 19.010 1.00 3.41 H new ATOM 0 HB3 PHE A 8 -17.848 2.183 19.697 1.00 3.41 H new ATOM 0 HD1 PHE A 8 -16.091 2.169 16.379 1.00 70.12 H new ATOM 0 HD2 PHE A 8 -18.090 -0.091 19.386 1.00 45.12 H new ATOM 0 HE1 PHE A 8 -15.702 0.114 15.091 1.00 70.42 H new ATOM 0 HE2 PHE A 8 -17.703 -2.147 18.101 1.00 33.40 H new ATOM 0 HZ PHE A 8 -16.502 -2.051 15.953 1.00 50.42 H new ATOM 104 N ALA A 9 -19.436 2.316 16.267 1.00 65.25 N ATOM 105 CA ALA A 9 -20.587 1.662 15.656 1.00 52.04 C ATOM 106 C ALA A 9 -20.148 0.549 14.711 1.00 63.54 C ATOM 107 O ALA A 9 -18.962 0.403 14.416 1.00 51.14 O ATOM 108 CB ALA A 9 -21.442 2.679 14.916 1.00 54.55 C ATOM 0 H ALA A 9 -18.608 2.355 15.672 1.00 65.25 H new ATOM 0 HA ALA A 9 -21.183 1.214 16.451 1.00 52.04 H new ATOM 0 HB1 ALA A 9 -22.297 2.176 14.465 1.00 54.55 H new ATOM 0 HB2 ALA A 9 -21.794 3.436 15.616 1.00 54.55 H new ATOM 0 HB3 ALA A 9 -20.848 3.155 14.136 1.00 54.55 H new ATOM 114 N LYS A 10 -21.111 -0.236 14.241 1.00 63.30 N ATOM 115 CA LYS A 10 -20.826 -1.336 13.329 1.00 14.51 C ATOM 116 C LYS A 10 -21.580 -1.164 12.014 1.00 31.50 C ATOM 117 O LYS A 10 -22.770 -0.846 12.006 1.00 41.41 O ATOM 118 CB LYS A 10 -21.203 -2.672 13.974 1.00 14.32 C ATOM 119 CG LYS A 10 -20.194 -3.778 13.716 1.00 60.14 C ATOM 120 CD LYS A 10 -20.436 -4.454 12.377 1.00 43.25 C ATOM 121 CE LYS A 10 -19.185 -5.157 11.872 1.00 61.34 C ATOM 122 NZ LYS A 10 -18.702 -6.186 12.833 1.00 63.43 N ATOM 0 H LYS A 10 -22.098 -0.130 14.477 1.00 63.30 H new ATOM 0 HA LYS A 10 -19.757 -1.330 13.117 1.00 14.51 H new ATOM 0 HB2 LYS A 10 -21.307 -2.530 15.050 1.00 14.32 H new ATOM 0 HB3 LYS A 10 -22.177 -2.985 13.598 1.00 14.32 H new ATOM 0 HG2 LYS A 10 -19.186 -3.364 13.738 1.00 60.14 H new ATOM 0 HG3 LYS A 10 -20.253 -4.518 14.514 1.00 60.14 H new ATOM 0 HD2 LYS A 10 -21.246 -5.177 12.474 1.00 43.25 H new ATOM 0 HD3 LYS A 10 -20.757 -3.712 11.646 1.00 43.25 H new ATOM 0 HE2 LYS A 10 -19.395 -5.627 10.911 1.00 61.34 H new ATOM 0 HE3 LYS A 10 -18.399 -4.422 11.702 1.00 61.34 H new ATOM 0 HZ1 LYS A 10 -18.605 -7.099 12.344 1.00 63.43 H new ATOM 0 HZ2 LYS A 10 -17.779 -5.898 13.215 1.00 63.43 H new ATOM 0 HZ3 LYS A 10 -19.385 -6.281 13.612 1.00 63.43 H new ATOM 136 N THR A 11 -20.881 -1.377 10.904 1.00 1.44 N ATOM 137 CA THR A 11 -21.485 -1.246 9.584 1.00 1.52 C ATOM 138 C THR A 11 -21.925 -2.602 9.042 1.00 63.14 C ATOM 139 O THR A 11 -23.105 -2.818 8.769 1.00 21.02 O ATOM 140 CB THR A 11 -20.511 -0.597 8.582 1.00 61.02 C ATOM 141 OG1 THR A 11 -19.582 0.243 9.276 1.00 44.10 O ATOM 142 CG2 THR A 11 -21.266 0.222 7.545 1.00 35.44 C ATOM 0 H THR A 11 -19.896 -1.641 10.893 1.00 1.44 H new ATOM 0 HA THR A 11 -22.358 -0.604 9.699 1.00 1.52 H new ATOM 0 HB THR A 11 -19.969 -1.392 8.069 1.00 61.02 H new ATOM 0 HG1 THR A 11 -18.939 -0.313 9.764 1.00 44.10 H new ATOM 0 HG21 THR A 11 -20.557 0.670 6.849 1.00 35.44 H new ATOM 0 HG22 THR A 11 -21.951 -0.426 6.998 1.00 35.44 H new ATOM 0 HG23 THR A 11 -21.831 1.009 8.044 1.00 35.44 H new ATOM 150 N SER A 12 -20.968 -3.511 8.891 1.00 62.13 N ATOM 151 CA SER A 12 -21.256 -4.846 8.379 1.00 40.31 C ATOM 152 C SER A 12 -19.987 -5.690 8.318 1.00 62.21 C ATOM 153 O SER A 12 -18.901 -5.180 8.040 1.00 21.43 O ATOM 154 CB SER A 12 -21.890 -4.756 6.989 1.00 32.53 C ATOM 155 OG SER A 12 -21.450 -5.818 6.159 1.00 64.31 O ATOM 0 H SER A 12 -19.987 -3.348 9.116 1.00 62.13 H new ATOM 0 HA SER A 12 -21.958 -5.326 9.061 1.00 40.31 H new ATOM 0 HB2 SER A 12 -22.976 -4.786 7.078 1.00 32.53 H new ATOM 0 HB3 SER A 12 -21.634 -3.801 6.530 1.00 32.53 H new ATOM 0 HG SER A 12 -21.870 -5.739 5.277 1.00 64.31 H new ATOM 161 N ASP A 13 -20.132 -6.985 8.580 1.00 72.24 N ATOM 162 CA ASP A 13 -18.998 -7.901 8.555 1.00 2.04 C ATOM 163 C ASP A 13 -19.219 -9.010 7.530 1.00 72.12 C ATOM 164 O ASP A 13 -20.237 -9.702 7.559 1.00 42.05 O ATOM 165 CB ASP A 13 -18.775 -8.508 9.941 1.00 32.51 C ATOM 166 CG ASP A 13 -17.914 -9.756 9.895 1.00 24.03 C ATOM 167 OD1 ASP A 13 -16.675 -9.626 9.977 1.00 71.55 O ATOM 168 OD2 ASP A 13 -18.481 -10.863 9.777 1.00 10.21 O ATOM 0 H ASP A 13 -21.023 -7.423 8.812 1.00 72.24 H new ATOM 0 HA ASP A 13 -18.111 -7.336 8.268 1.00 2.04 H new ATOM 0 HB2 ASP A 13 -18.303 -7.768 10.587 1.00 32.51 H new ATOM 0 HB3 ASP A 13 -19.739 -8.752 10.387 1.00 32.51 H new ATOM 173 N TRP A 14 -18.260 -9.171 6.626 1.00 74.32 N ATOM 174 CA TRP A 14 -18.349 -10.196 5.591 1.00 42.14 C ATOM 175 C TRP A 14 -17.298 -11.279 5.804 1.00 11.21 C ATOM 176 O TRP A 14 -16.124 -11.088 5.490 1.00 2.30 O ATOM 177 CB TRP A 14 -18.179 -9.566 4.207 1.00 22.25 C ATOM 178 CG TRP A 14 -16.977 -8.677 4.102 1.00 65.15 C ATOM 179 CD1 TRP A 14 -15.776 -8.986 3.532 1.00 23.01 C ATOM 180 CD2 TRP A 14 -16.862 -7.333 4.583 1.00 35.42 C ATOM 181 NE1 TRP A 14 -14.920 -7.916 3.630 1.00 44.40 N ATOM 182 CE2 TRP A 14 -15.562 -6.889 4.269 1.00 25.42 C ATOM 183 CE3 TRP A 14 -17.730 -6.461 5.247 1.00 12.13 C ATOM 184 CZ2 TRP A 14 -15.113 -5.613 4.598 1.00 40.14 C ATOM 185 CZ3 TRP A 14 -17.282 -5.196 5.572 1.00 70.25 C ATOM 186 CH2 TRP A 14 -15.984 -4.780 5.247 1.00 53.12 C ATOM 0 H TRP A 14 -17.412 -8.606 6.588 1.00 74.32 H new ATOM 0 HA TRP A 14 -19.334 -10.657 5.655 1.00 42.14 H new ATOM 0 HB2 TRP A 14 -18.102 -10.358 3.462 1.00 22.25 H new ATOM 0 HB3 TRP A 14 -19.071 -8.988 3.967 1.00 22.25 H new ATOM 0 HD1 TRP A 14 -15.534 -9.933 3.072 1.00 23.01 H new ATOM 0 HE1 TRP A 14 -13.961 -7.891 3.283 1.00 44.40 H new ATOM 0 HE3 TRP A 14 -18.733 -6.771 5.501 1.00 12.13 H new ATOM 0 HZ2 TRP A 14 -14.112 -5.292 4.350 1.00 40.14 H new ATOM 0 HZ3 TRP A 14 -17.944 -4.515 6.086 1.00 70.25 H new ATOM 0 HH2 TRP A 14 -15.665 -3.783 5.514 1.00 53.12 H new ATOM 197 N GLY A 15 -17.727 -12.417 6.339 1.00 23.53 N ATOM 198 CA GLY A 15 -16.809 -13.514 6.585 1.00 50.20 C ATOM 199 C GLY A 15 -15.890 -13.249 7.760 1.00 21.34 C ATOM 200 O GLY A 15 -16.232 -13.547 8.906 1.00 11.21 O ATOM 0 H GLY A 15 -18.694 -12.599 6.607 1.00 23.53 H new ATOM 0 HA2 GLY A 15 -17.378 -14.425 6.771 1.00 50.20 H new ATOM 0 HA3 GLY A 15 -16.210 -13.689 5.692 1.00 50.20 H new ATOM 204 N THR A 16 -14.717 -12.688 7.479 1.00 25.33 N ATOM 205 CA THR A 16 -13.745 -12.386 8.522 1.00 3.35 C ATOM 206 C THR A 16 -13.468 -10.889 8.595 1.00 53.10 C ATOM 207 O THR A 16 -12.938 -10.395 9.590 1.00 42.24 O ATOM 208 CB THR A 16 -12.418 -13.131 8.285 1.00 20.43 C ATOM 209 OG1 THR A 16 -11.425 -12.667 9.205 1.00 21.13 O ATOM 210 CG2 THR A 16 -11.930 -12.930 6.858 1.00 30.22 C ATOM 0 H THR A 16 -14.418 -12.434 6.538 1.00 25.33 H new ATOM 0 HA THR A 16 -14.177 -12.720 9.465 1.00 3.35 H new ATOM 0 HB THR A 16 -12.591 -14.195 8.445 1.00 20.43 H new ATOM 0 HG1 THR A 16 -10.585 -13.147 9.049 1.00 21.13 H new ATOM 0 HG21 THR A 16 -10.992 -13.466 6.716 1.00 30.22 H new ATOM 0 HG22 THR A 16 -12.676 -13.313 6.161 1.00 30.22 H new ATOM 0 HG23 THR A 16 -11.773 -11.867 6.674 1.00 30.22 H new ATOM 218 N GLY A 17 -13.828 -10.171 7.536 1.00 30.03 N ATOM 219 CA GLY A 17 -13.610 -8.736 7.502 1.00 73.42 C ATOM 220 C GLY A 17 -14.793 -7.958 8.042 1.00 43.14 C ATOM 221 O GLY A 17 -15.893 -8.025 7.493 1.00 4.41 O ATOM 0 H GLY A 17 -14.267 -10.557 6.700 1.00 30.03 H new ATOM 0 HA2 GLY A 17 -12.722 -8.492 8.085 1.00 73.42 H new ATOM 0 HA3 GLY A 17 -13.413 -8.426 6.476 1.00 73.42 H new ATOM 225 N PHE A 18 -14.569 -7.217 9.122 1.00 52.34 N ATOM 226 CA PHE A 18 -15.627 -6.423 9.738 1.00 15.31 C ATOM 227 C PHE A 18 -15.534 -4.964 9.303 1.00 41.53 C ATOM 228 O PHE A 18 -14.472 -4.489 8.902 1.00 62.01 O ATOM 229 CB PHE A 18 -15.543 -6.519 11.262 1.00 52.34 C ATOM 230 CG PHE A 18 -14.452 -5.674 11.857 1.00 32.22 C ATOM 231 CD1 PHE A 18 -14.695 -4.359 12.218 1.00 0.22 C ATOM 232 CD2 PHE A 18 -13.183 -6.196 12.056 1.00 24.22 C ATOM 233 CE1 PHE A 18 -13.692 -3.579 12.765 1.00 2.11 C ATOM 234 CE2 PHE A 18 -12.177 -5.422 12.603 1.00 22.51 C ATOM 235 CZ PHE A 18 -12.433 -4.112 12.958 1.00 54.13 C ATOM 0 H PHE A 18 -13.665 -7.149 9.589 1.00 52.34 H new ATOM 0 HA PHE A 18 -16.586 -6.822 9.408 1.00 15.31 H new ATOM 0 HB2 PHE A 18 -16.499 -6.218 11.690 1.00 52.34 H new ATOM 0 HB3 PHE A 18 -15.381 -7.559 11.544 1.00 52.34 H new ATOM 0 HD1 PHE A 18 -15.679 -3.938 12.071 1.00 0.22 H new ATOM 0 HD2 PHE A 18 -12.978 -7.220 11.780 1.00 24.22 H new ATOM 0 HE1 PHE A 18 -13.893 -2.554 13.041 1.00 2.11 H new ATOM 0 HE2 PHE A 18 -11.193 -5.841 12.753 1.00 22.51 H new ATOM 0 HZ PHE A 18 -11.649 -3.505 13.386 1.00 54.13 H new ATOM 245 N GLY A 19 -16.657 -4.256 9.384 1.00 3.11 N ATOM 246 CA GLY A 19 -16.683 -2.857 8.994 1.00 75.42 C ATOM 247 C GLY A 19 -16.916 -1.932 10.173 1.00 12.52 C ATOM 248 O GLY A 19 -18.014 -1.885 10.726 1.00 3.21 O ATOM 0 H GLY A 19 -17.549 -4.626 9.713 1.00 3.11 H new ATOM 0 HA2 GLY A 19 -15.739 -2.599 8.514 1.00 75.42 H new ATOM 0 HA3 GLY A 19 -17.469 -2.703 8.254 1.00 75.42 H new ATOM 252 N GLY A 20 -15.879 -1.195 10.559 1.00 44.34 N ATOM 253 CA GLY A 20 -15.996 -0.278 11.678 1.00 2.32 C ATOM 254 C GLY A 20 -16.608 1.050 11.277 1.00 40.52 C ATOM 255 O GLY A 20 -16.322 1.574 10.200 1.00 13.05 O ATOM 0 H GLY A 20 -14.960 -1.217 10.117 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -16.606 -0.736 12.457 1.00 2.32 H new ATOM 0 HA3 GLY A 20 -15.009 -0.105 12.107 1.00 2.32 H new ATOM 259 N SER A 21 -17.453 1.596 12.144 1.00 3.10 N ATOM 260 CA SER A 21 -18.112 2.869 11.873 1.00 50.51 C ATOM 261 C SER A 21 -17.898 3.847 13.024 1.00 4.41 C ATOM 262 O SER A 21 -18.593 3.790 14.038 1.00 24.13 O ATOM 263 CB SER A 21 -19.608 2.654 11.641 1.00 45.12 C ATOM 264 OG SER A 21 -19.961 2.927 10.296 1.00 62.22 O ATOM 0 H SER A 21 -17.698 1.177 13.041 1.00 3.10 H new ATOM 0 HA SER A 21 -17.670 3.294 10.972 1.00 50.51 H new ATOM 0 HB2 SER A 21 -19.873 1.626 11.888 1.00 45.12 H new ATOM 0 HB3 SER A 21 -20.179 3.300 12.308 1.00 45.12 H new ATOM 0 HG SER A 21 -19.890 2.106 9.766 1.00 62.22 H new ATOM 270 N TRP A 22 -16.933 4.744 12.858 1.00 71.33 N ATOM 271 CA TRP A 22 -16.628 5.736 13.883 1.00 21.32 C ATOM 272 C TRP A 22 -17.446 7.005 13.674 1.00 13.33 C ATOM 273 O TRP A 22 -17.397 7.619 12.606 1.00 74.32 O ATOM 274 CB TRP A 22 -15.135 6.069 13.871 1.00 34.11 C ATOM 275 CG TRP A 22 -14.274 4.952 14.380 1.00 52.04 C ATOM 276 CD1 TRP A 22 -13.477 4.128 13.637 1.00 64.41 C ATOM 277 CD2 TRP A 22 -14.124 4.538 15.742 1.00 32.24 C ATOM 278 NE1 TRP A 22 -12.842 3.225 14.456 1.00 53.44 N ATOM 279 CE2 TRP A 22 -13.221 3.456 15.751 1.00 73.34 C ATOM 280 CE3 TRP A 22 -14.663 4.975 16.954 1.00 50.03 C ATOM 281 CZ2 TRP A 22 -12.848 2.808 16.926 1.00 64.42 C ATOM 282 CZ3 TRP A 22 -14.293 4.331 18.120 1.00 53.44 C ATOM 283 CH2 TRP A 22 -13.391 3.258 18.099 1.00 63.41 C ATOM 0 H TRP A 22 -16.349 4.805 12.024 1.00 71.33 H new ATOM 0 HA TRP A 22 -16.891 5.313 14.852 1.00 21.32 H new ATOM 0 HB2 TRP A 22 -14.833 6.316 12.853 1.00 34.11 H new ATOM 0 HB3 TRP A 22 -14.963 6.957 14.479 1.00 34.11 H new ATOM 0 HD1 TRP A 22 -13.363 4.179 12.564 1.00 64.41 H new ATOM 0 HE1 TRP A 22 -12.193 2.500 14.149 1.00 53.44 H new ATOM 0 HE3 TRP A 22 -15.357 5.802 16.980 1.00 50.03 H new ATOM 0 HZ2 TRP A 22 -12.155 1.980 16.912 1.00 64.42 H new ATOM 0 HZ3 TRP A 22 -14.706 4.660 19.062 1.00 53.44 H new ATOM 0 HH2 TRP A 22 -13.119 2.777 19.027 1.00 63.41 H new ATOM 294 N THR A 23 -18.197 7.396 14.698 1.00 24.52 N ATOM 295 CA THR A 23 -19.028 8.592 14.624 1.00 55.04 C ATOM 296 C THR A 23 -18.311 9.795 15.229 1.00 2.43 C ATOM 297 O THR A 23 -17.957 9.791 16.408 1.00 52.53 O ATOM 298 CB THR A 23 -20.370 8.390 15.352 1.00 22.22 C ATOM 299 OG1 THR A 23 -21.023 7.216 14.855 1.00 64.34 O ATOM 300 CG2 THR A 23 -21.275 9.598 15.163 1.00 51.25 C ATOM 0 H THR A 23 -18.247 6.902 15.589 1.00 24.52 H new ATOM 0 HA THR A 23 -19.221 8.779 13.568 1.00 55.04 H new ATOM 0 HB THR A 23 -20.168 8.271 16.416 1.00 22.22 H new ATOM 0 HG1 THR A 23 -21.875 7.092 15.323 1.00 64.34 H new ATOM 0 HG21 THR A 23 -22.217 9.432 15.686 1.00 51.25 H new ATOM 0 HG22 THR A 23 -20.787 10.485 15.567 1.00 51.25 H new ATOM 0 HG23 THR A 23 -21.471 9.743 14.101 1.00 51.25 H new ATOM 308 N VAL A 24 -18.103 10.824 14.413 1.00 71.44 N ATOM 309 CA VAL A 24 -17.430 12.035 14.869 1.00 4.11 C ATOM 310 C VAL A 24 -18.376 13.231 14.844 1.00 63.54 C ATOM 311 O VAL A 24 -19.066 13.471 13.854 1.00 44.23 O ATOM 312 CB VAL A 24 -16.198 12.353 14.001 1.00 21.34 C ATOM 313 CG1 VAL A 24 -15.396 13.493 14.610 1.00 62.31 C ATOM 314 CG2 VAL A 24 -15.334 11.113 13.830 1.00 74.14 C ATOM 0 H VAL A 24 -18.390 10.843 13.434 1.00 71.44 H new ATOM 0 HA VAL A 24 -17.107 11.851 15.893 1.00 4.11 H new ATOM 0 HB VAL A 24 -16.540 12.668 13.015 1.00 21.34 H new ATOM 0 HG11 VAL A 24 -14.529 13.704 13.983 1.00 62.31 H new ATOM 0 HG12 VAL A 24 -16.021 14.383 14.676 1.00 62.31 H new ATOM 0 HG13 VAL A 24 -15.062 13.210 15.608 1.00 62.31 H new ATOM 0 HG21 VAL A 24 -14.468 11.355 13.214 1.00 74.14 H new ATOM 0 HG22 VAL A 24 -14.999 10.766 14.807 1.00 74.14 H new ATOM 0 HG23 VAL A 24 -15.915 10.328 13.346 1.00 74.14 H new ATOM 324 N LYS A 25 -18.405 13.978 15.943 1.00 72.41 N ATOM 325 CA LYS A 25 -19.265 15.151 16.050 1.00 14.33 C ATOM 326 C LYS A 25 -18.540 16.295 16.751 1.00 0.45 C ATOM 327 O LYS A 25 -18.150 16.177 17.911 1.00 2.42 O ATOM 328 CB LYS A 25 -20.545 14.802 16.811 1.00 64.11 C ATOM 329 CG LYS A 25 -21.730 15.677 16.441 1.00 42.20 C ATOM 330 CD LYS A 25 -22.397 16.263 17.673 1.00 24.53 C ATOM 331 CE LYS A 25 -23.906 16.355 17.501 1.00 22.34 C ATOM 332 NZ LYS A 25 -24.600 16.586 18.797 1.00 71.51 N ATOM 0 H LYS A 25 -17.842 13.791 16.773 1.00 72.41 H new ATOM 0 HA LYS A 25 -19.525 15.473 15.042 1.00 14.33 H new ATOM 0 HB2 LYS A 25 -20.799 13.760 16.618 1.00 64.11 H new ATOM 0 HB3 LYS A 25 -20.358 14.892 17.881 1.00 64.11 H new ATOM 0 HG2 LYS A 25 -21.398 16.484 15.788 1.00 42.20 H new ATOM 0 HG3 LYS A 25 -22.455 15.090 15.878 1.00 42.20 H new ATOM 0 HD2 LYS A 25 -22.166 15.646 18.541 1.00 24.53 H new ATOM 0 HD3 LYS A 25 -21.991 17.255 17.870 1.00 24.53 H new ATOM 0 HE2 LYS A 25 -24.144 17.166 16.812 1.00 22.34 H new ATOM 0 HE3 LYS A 25 -24.277 15.435 17.050 1.00 22.34 H new ATOM 0 HZ1 LYS A 25 -25.626 16.643 18.636 1.00 71.51 H new ATOM 0 HZ2 LYS A 25 -24.394 15.800 19.446 1.00 71.51 H new ATOM 0 HZ3 LYS A 25 -24.266 17.477 19.216 1.00 71.51 H new ATOM 346 N ASN A 26 -18.364 17.403 16.038 1.00 2.44 N ATOM 347 CA ASN A 26 -17.686 18.569 16.592 1.00 45.20 C ATOM 348 C ASN A 26 -18.677 19.699 16.855 1.00 51.54 C ATOM 349 O ASN A 26 -19.328 20.197 15.935 1.00 24.35 O ATOM 350 CB ASN A 26 -16.589 19.049 15.640 1.00 1.20 C ATOM 351 CG ASN A 26 -15.669 17.925 15.206 1.00 20.12 C ATOM 352 OD1 ASN A 26 -15.580 17.603 14.020 1.00 73.24 O ATOM 353 ND2 ASN A 26 -14.980 17.320 16.166 1.00 75.35 N ATOM 0 H ASN A 26 -18.682 17.518 15.075 1.00 2.44 H new ATOM 0 HA ASN A 26 -17.232 18.278 17.539 1.00 45.20 H new ATOM 0 HB2 ASN A 26 -17.047 19.500 14.760 1.00 1.20 H new ATOM 0 HB3 ASN A 26 -16.002 19.827 16.128 1.00 1.20 H new ATOM 0 HD21 ASN A 26 -14.346 16.556 15.934 1.00 75.35 H new ATOM 0 HD22 ASN A 26 -15.085 17.620 17.135 1.00 75.35 H new ATOM 360 N THR A 27 -18.785 20.104 18.117 1.00 25.44 N ATOM 361 CA THR A 27 -19.696 21.174 18.502 1.00 0.12 C ATOM 362 C THR A 27 -19.491 21.574 19.959 1.00 20.44 C ATOM 363 O THR A 27 -19.213 20.730 20.810 1.00 23.21 O ATOM 364 CB THR A 27 -21.166 20.763 18.295 1.00 61.22 C ATOM 365 OG1 THR A 27 -22.024 21.888 18.513 1.00 22.33 O ATOM 366 CG2 THR A 27 -21.550 19.635 19.242 1.00 2.34 C ATOM 0 H THR A 27 -18.252 19.706 18.890 1.00 25.44 H new ATOM 0 HA THR A 27 -19.472 22.026 17.860 1.00 0.12 H new ATOM 0 HB THR A 27 -21.282 20.412 17.270 1.00 61.22 H new ATOM 0 HG1 THR A 27 -22.957 21.619 18.378 1.00 22.33 H new ATOM 0 HG21 THR A 27 -22.592 19.361 19.078 1.00 2.34 H new ATOM 0 HG22 THR A 27 -20.914 18.770 19.055 1.00 2.34 H new ATOM 0 HG23 THR A 27 -21.419 19.965 20.273 1.00 2.34 H new ATOM 374 N GLY A 28 -19.632 22.865 20.239 1.00 71.15 N ATOM 375 CA GLY A 28 -19.460 23.353 21.595 1.00 35.12 C ATOM 376 C GLY A 28 -18.208 24.193 21.754 1.00 72.44 C ATOM 377 O GLY A 28 -18.165 25.109 22.576 1.00 71.22 O ATOM 0 H GLY A 28 -19.862 23.582 19.551 1.00 71.15 H new ATOM 0 HA2 GLY A 28 -20.330 23.946 21.878 1.00 35.12 H new ATOM 0 HA3 GLY A 28 -19.415 22.506 22.280 1.00 35.12 H new ATOM 381 N THR A 29 -17.183 23.881 20.966 1.00 32.42 N ATOM 382 CA THR A 29 -15.923 24.611 21.026 1.00 3.04 C ATOM 383 C THR A 29 -15.820 25.623 19.890 1.00 1.04 C ATOM 384 O THR A 29 -16.673 25.664 19.001 1.00 75.23 O ATOM 385 CB THR A 29 -14.716 23.657 20.958 1.00 24.30 C ATOM 386 OG1 THR A 29 -13.507 24.375 21.227 1.00 22.42 O ATOM 387 CG2 THR A 29 -14.625 22.994 19.591 1.00 51.35 C ATOM 0 H THR A 29 -17.201 23.127 20.279 1.00 32.42 H new ATOM 0 HA THR A 29 -15.908 25.136 21.981 1.00 3.04 H new ATOM 0 HB THR A 29 -14.852 22.881 21.712 1.00 24.30 H new ATOM 0 HG1 THR A 29 -13.436 24.548 22.189 1.00 22.42 H new ATOM 0 HG21 THR A 29 -13.765 22.325 19.568 1.00 51.35 H new ATOM 0 HG22 THR A 29 -15.534 22.423 19.402 1.00 51.35 H new ATOM 0 HG23 THR A 29 -14.511 23.759 18.823 1.00 51.35 H new ATOM 395 N THR A 30 -14.771 26.438 19.922 1.00 23.13 N ATOM 396 CA THR A 30 -14.557 27.450 18.896 1.00 23.13 C ATOM 397 C THR A 30 -14.372 26.811 17.524 1.00 12.21 C ATOM 398 O THR A 30 -14.517 25.599 17.368 1.00 73.22 O ATOM 399 CB THR A 30 -13.328 28.322 19.213 1.00 42.21 C ATOM 400 OG1 THR A 30 -12.132 27.543 19.100 1.00 10.44 O ATOM 401 CG2 THR A 30 -13.427 28.907 20.614 1.00 31.40 C ATOM 0 H THR A 30 -14.055 26.417 20.649 1.00 23.13 H new ATOM 0 HA THR A 30 -15.446 28.080 18.884 1.00 23.13 H new ATOM 0 HB THR A 30 -13.297 29.141 18.495 1.00 42.21 H new ATOM 0 HG1 THR A 30 -11.355 28.105 19.301 1.00 10.44 H new ATOM 0 HG21 THR A 30 -12.548 29.519 20.816 1.00 31.40 H new ATOM 0 HG22 THR A 30 -14.323 29.523 20.689 1.00 31.40 H new ATOM 0 HG23 THR A 30 -13.481 28.098 21.343 1.00 31.40 H new ATOM 409 N SER A 31 -14.050 27.634 16.531 1.00 22.11 N ATOM 410 CA SER A 31 -13.848 27.150 15.171 1.00 34.25 C ATOM 411 C SER A 31 -12.869 25.979 15.152 1.00 23.54 C ATOM 412 O SER A 31 -11.728 26.101 15.597 1.00 53.22 O ATOM 413 CB SER A 31 -13.329 28.277 14.277 1.00 11.13 C ATOM 414 OG SER A 31 -13.885 29.524 14.655 1.00 44.22 O ATOM 0 H SER A 31 -13.923 28.640 16.643 1.00 22.11 H new ATOM 0 HA SER A 31 -14.809 26.806 14.788 1.00 34.25 H new ATOM 0 HB2 SER A 31 -12.242 28.325 14.341 1.00 11.13 H new ATOM 0 HB3 SER A 31 -13.578 28.065 13.237 1.00 11.13 H new ATOM 0 HG SER A 31 -13.536 30.228 14.070 1.00 44.22 H new ATOM 420 N LEU A 32 -13.324 24.844 14.633 1.00 5.41 N ATOM 421 CA LEU A 32 -12.490 23.649 14.554 1.00 2.20 C ATOM 422 C LEU A 32 -11.609 23.681 13.309 1.00 24.14 C ATOM 423 O LEU A 32 -11.602 24.663 12.566 1.00 23.03 O ATOM 424 CB LEU A 32 -13.364 22.394 14.544 1.00 31.24 C ATOM 425 CG LEU A 32 -13.039 21.342 15.605 1.00 61.12 C ATOM 426 CD1 LEU A 32 -13.913 21.537 16.834 1.00 62.24 C ATOM 427 CD2 LEU A 32 -13.218 19.940 15.039 1.00 44.24 C ATOM 0 H LEU A 32 -14.266 24.726 14.260 1.00 5.41 H new ATOM 0 HA LEU A 32 -11.844 23.627 15.432 1.00 2.20 H new ATOM 0 HB2 LEU A 32 -14.403 22.698 14.669 1.00 31.24 H new ATOM 0 HB3 LEU A 32 -13.284 21.928 13.562 1.00 31.24 H new ATOM 0 HG LEU A 32 -11.997 21.462 15.901 1.00 61.12 H new ATOM 0 HD11 LEU A 32 -13.668 20.780 17.579 1.00 62.24 H new ATOM 0 HD12 LEU A 32 -13.736 22.528 17.253 1.00 62.24 H new ATOM 0 HD13 LEU A 32 -14.962 21.444 16.553 1.00 62.24 H new ATOM 0 HD21 LEU A 32 -12.982 19.204 15.808 1.00 44.24 H new ATOM 0 HD22 LEU A 32 -14.250 19.808 14.714 1.00 44.24 H new ATOM 0 HD23 LEU A 32 -12.550 19.803 14.189 1.00 44.24 H new ATOM 439 N SER A 33 -10.869 22.599 13.086 1.00 65.23 N ATOM 440 CA SER A 33 -9.984 22.503 11.932 1.00 1.30 C ATOM 441 C SER A 33 -9.963 21.082 11.380 1.00 5.14 C ATOM 442 O SER A 33 -10.198 20.862 10.191 1.00 15.25 O ATOM 443 CB SER A 33 -8.567 22.936 12.313 1.00 5.24 C ATOM 444 OG SER A 33 -8.256 22.552 13.641 1.00 50.10 O ATOM 0 H SER A 33 -10.865 21.777 13.690 1.00 65.23 H new ATOM 0 HA SER A 33 -10.364 23.169 11.157 1.00 1.30 H new ATOM 0 HB2 SER A 33 -7.850 22.490 11.625 1.00 5.24 H new ATOM 0 HB3 SER A 33 -8.475 24.017 12.213 1.00 5.24 H new ATOM 0 HG SER A 33 -7.345 22.839 13.860 1.00 50.10 H new ATOM 450 N SER A 34 -9.682 20.119 12.251 1.00 62.51 N ATOM 451 CA SER A 34 -9.626 18.717 11.852 1.00 45.05 C ATOM 452 C SER A 34 -9.918 17.803 13.038 1.00 1.33 C ATOM 453 O SER A 34 -9.918 18.240 14.187 1.00 71.23 O ATOM 454 CB SER A 34 -8.254 18.388 11.263 1.00 34.34 C ATOM 455 OG SER A 34 -7.450 17.692 12.202 1.00 64.21 O ATOM 0 H SER A 34 -9.489 20.284 13.239 1.00 62.51 H new ATOM 0 HA SER A 34 -10.389 18.549 11.091 1.00 45.05 H new ATOM 0 HB2 SER A 34 -8.376 17.783 10.365 1.00 34.34 H new ATOM 0 HB3 SER A 34 -7.753 19.308 10.962 1.00 34.34 H new ATOM 0 HG SER A 34 -6.578 17.492 11.801 1.00 64.21 H new ATOM 461 N TRP A 35 -10.167 16.531 12.747 1.00 63.54 N ATOM 462 CA TRP A 35 -10.461 15.552 13.788 1.00 43.04 C ATOM 463 C TRP A 35 -9.481 14.387 13.732 1.00 74.34 C ATOM 464 O TRP A 35 -9.301 13.763 12.686 1.00 53.12 O ATOM 465 CB TRP A 35 -11.894 15.037 13.644 1.00 4.44 C ATOM 466 CG TRP A 35 -12.253 14.670 12.236 1.00 5.20 C ATOM 467 CD1 TRP A 35 -12.728 15.506 11.266 1.00 63.25 C ATOM 468 CD2 TRP A 35 -12.168 13.370 11.641 1.00 62.11 C ATOM 469 NE1 TRP A 35 -12.944 14.805 10.104 1.00 51.01 N ATOM 470 CE2 TRP A 35 -12.608 13.493 10.308 1.00 54.44 C ATOM 471 CE3 TRP A 35 -11.763 12.116 12.104 1.00 24.24 C ATOM 472 CZ2 TRP A 35 -12.652 12.408 9.436 1.00 72.35 C ATOM 473 CZ3 TRP A 35 -11.808 11.040 11.238 1.00 24.31 C ATOM 474 CH2 TRP A 35 -12.249 11.191 9.917 1.00 51.21 C ATOM 0 H TRP A 35 -10.171 16.153 11.799 1.00 63.54 H new ATOM 0 HA TRP A 35 -10.356 16.045 14.755 1.00 43.04 H new ATOM 0 HB2 TRP A 35 -12.025 14.165 14.284 1.00 4.44 H new ATOM 0 HB3 TRP A 35 -12.585 15.801 14.000 1.00 4.44 H new ATOM 0 HD1 TRP A 35 -12.908 16.563 11.394 1.00 63.25 H new ATOM 0 HE1 TRP A 35 -13.297 15.198 9.231 1.00 51.01 H new ATOM 0 HE3 TRP A 35 -11.421 11.990 13.121 1.00 24.24 H new ATOM 0 HZ2 TRP A 35 -12.992 12.522 8.417 1.00 72.35 H new ATOM 0 HZ3 TRP A 35 -11.498 10.066 11.586 1.00 24.31 H new ATOM 0 HH2 TRP A 35 -12.272 10.330 9.265 1.00 51.21 H new ATOM 485 N THR A 36 -8.847 14.097 14.865 1.00 31.42 N ATOM 486 CA THR A 36 -7.883 13.006 14.945 1.00 5.33 C ATOM 487 C THR A 36 -8.306 11.974 15.983 1.00 32.41 C ATOM 488 O THR A 36 -8.115 12.173 17.183 1.00 71.51 O ATOM 489 CB THR A 36 -6.476 13.525 15.295 1.00 5.34 C ATOM 490 OG1 THR A 36 -6.209 14.736 14.580 1.00 41.34 O ATOM 491 CG2 THR A 36 -5.417 12.486 14.955 1.00 62.30 C ATOM 0 H THR A 36 -8.984 14.603 15.740 1.00 31.42 H new ATOM 0 HA THR A 36 -7.854 12.536 13.962 1.00 5.33 H new ATOM 0 HB THR A 36 -6.441 13.721 16.367 1.00 5.34 H new ATOM 0 HG1 THR A 36 -5.313 15.061 14.809 1.00 41.34 H new ATOM 0 HG21 THR A 36 -4.431 12.874 15.211 1.00 62.30 H new ATOM 0 HG22 THR A 36 -5.606 11.575 15.522 1.00 62.30 H new ATOM 0 HG23 THR A 36 -5.454 12.264 13.888 1.00 62.30 H new ATOM 499 N VAL A 37 -8.879 10.870 15.516 1.00 51.32 N ATOM 500 CA VAL A 37 -9.326 9.804 16.405 1.00 60.15 C ATOM 501 C VAL A 37 -8.351 8.633 16.393 1.00 3.13 C ATOM 502 O VAL A 37 -8.123 8.014 15.353 1.00 71.04 O ATOM 503 CB VAL A 37 -10.727 9.297 16.013 1.00 52.24 C ATOM 504 CG1 VAL A 37 -10.740 8.829 14.566 1.00 62.22 C ATOM 505 CG2 VAL A 37 -11.170 8.182 16.948 1.00 12.24 C ATOM 0 H VAL A 37 -9.045 10.690 14.526 1.00 51.32 H new ATOM 0 HA VAL A 37 -9.369 10.226 17.409 1.00 60.15 H new ATOM 0 HB VAL A 37 -11.433 10.122 16.108 1.00 52.24 H new ATOM 0 HG11 VAL A 37 -11.738 8.474 14.307 1.00 62.22 H new ATOM 0 HG12 VAL A 37 -10.469 9.658 13.913 1.00 62.22 H new ATOM 0 HG13 VAL A 37 -10.023 8.018 14.439 1.00 62.22 H new ATOM 0 HG21 VAL A 37 -12.162 7.836 16.657 1.00 12.24 H new ATOM 0 HG22 VAL A 37 -10.464 7.354 16.887 1.00 12.24 H new ATOM 0 HG23 VAL A 37 -11.202 8.556 17.971 1.00 12.24 H new ATOM 515 N GLU A 38 -7.781 8.332 17.555 1.00 54.41 N ATOM 516 CA GLU A 38 -6.830 7.234 17.676 1.00 74.35 C ATOM 517 C GLU A 38 -7.182 6.339 18.861 1.00 35.21 C ATOM 518 O GLU A 38 -7.595 6.820 19.915 1.00 53.12 O ATOM 519 CB GLU A 38 -5.408 7.776 17.838 1.00 51.21 C ATOM 520 CG GLU A 38 -5.244 9.208 17.358 1.00 43.14 C ATOM 521 CD GLU A 38 -3.793 9.645 17.309 1.00 43.03 C ATOM 522 OE1 GLU A 38 -2.908 8.765 17.304 1.00 53.10 O ATOM 523 OE2 GLU A 38 -3.543 10.868 17.277 1.00 41.12 O ATOM 0 H GLU A 38 -7.961 8.833 18.425 1.00 54.41 H new ATOM 0 HA GLU A 38 -6.883 6.639 16.764 1.00 74.35 H new ATOM 0 HB2 GLU A 38 -5.124 7.719 18.889 1.00 51.21 H new ATOM 0 HB3 GLU A 38 -4.719 7.136 17.287 1.00 51.21 H new ATOM 0 HG2 GLU A 38 -5.683 9.307 16.365 1.00 43.14 H new ATOM 0 HG3 GLU A 38 -5.798 9.874 18.019 1.00 43.14 H new ATOM 530 N TRP A 39 -7.015 5.033 18.679 1.00 2.52 N ATOM 531 CA TRP A 39 -7.316 4.071 19.731 1.00 34.44 C ATOM 532 C TRP A 39 -6.253 2.978 19.790 1.00 4.04 C ATOM 533 O TRP A 39 -5.430 2.850 18.882 1.00 25.13 O ATOM 534 CB TRP A 39 -8.693 3.447 19.502 1.00 24.12 C ATOM 535 CG TRP A 39 -9.370 3.943 18.261 1.00 23.33 C ATOM 536 CD1 TRP A 39 -10.449 4.779 18.194 1.00 2.02 C ATOM 537 CD2 TRP A 39 -9.017 3.633 16.909 1.00 53.21 C ATOM 538 NE1 TRP A 39 -10.787 5.006 16.881 1.00 54.53 N ATOM 539 CE2 TRP A 39 -9.923 4.316 16.074 1.00 15.55 C ATOM 540 CE3 TRP A 39 -8.022 2.847 16.322 1.00 54.01 C ATOM 541 CZ2 TRP A 39 -9.861 4.234 14.685 1.00 41.41 C ATOM 542 CZ3 TRP A 39 -7.962 2.766 14.944 1.00 5.22 C ATOM 543 CH2 TRP A 39 -8.876 3.457 14.137 1.00 24.52 C ATOM 0 H TRP A 39 -6.673 4.617 17.813 1.00 2.52 H new ATOM 0 HA TRP A 39 -7.319 4.601 20.683 1.00 34.44 H new ATOM 0 HB2 TRP A 39 -8.588 2.364 19.442 1.00 24.12 H new ATOM 0 HB3 TRP A 39 -9.328 3.658 20.363 1.00 24.12 H new ATOM 0 HD1 TRP A 39 -10.961 5.199 19.047 1.00 2.02 H new ATOM 0 HE1 TRP A 39 -11.557 5.593 16.560 1.00 54.53 H new ATOM 0 HE3 TRP A 39 -7.312 2.312 16.935 1.00 54.01 H new ATOM 0 HZ2 TRP A 39 -10.565 4.765 14.062 1.00 41.41 H new ATOM 0 HZ3 TRP A 39 -7.198 2.160 14.481 1.00 5.22 H new ATOM 0 HH2 TRP A 39 -8.802 3.375 13.063 1.00 24.52 H new ATOM 554 N ASP A 40 -6.276 2.193 20.861 1.00 54.54 N ATOM 555 CA ASP A 40 -5.314 1.110 21.036 1.00 64.12 C ATOM 556 C ASP A 40 -5.916 -0.224 20.609 1.00 13.02 C ATOM 557 O ASP A 40 -7.018 -0.582 21.024 1.00 1.23 O ATOM 558 CB ASP A 40 -4.858 1.036 22.494 1.00 70.41 C ATOM 559 CG ASP A 40 -3.361 0.838 22.623 1.00 51.40 C ATOM 560 OD1 ASP A 40 -2.626 1.847 22.597 1.00 50.20 O ATOM 561 OD2 ASP A 40 -2.924 -0.325 22.749 1.00 71.41 O ATOM 0 H ASP A 40 -6.950 2.286 21.621 1.00 54.54 H new ATOM 0 HA ASP A 40 -4.450 1.317 20.404 1.00 64.12 H new ATOM 0 HB2 ASP A 40 -5.146 1.953 23.009 1.00 70.41 H new ATOM 0 HB3 ASP A 40 -5.374 0.215 22.992 1.00 70.41 H new ATOM 566 N PHE A 41 -5.185 -0.958 19.775 1.00 73.03 N ATOM 567 CA PHE A 41 -5.646 -2.253 19.290 1.00 63.41 C ATOM 568 C PHE A 41 -4.778 -3.381 19.839 1.00 52.31 C ATOM 569 O PHE A 41 -3.932 -3.942 19.143 1.00 34.14 O ATOM 570 CB PHE A 41 -5.633 -2.282 17.760 1.00 41.00 C ATOM 571 CG PHE A 41 -6.935 -1.858 17.141 1.00 32.35 C ATOM 572 CD1 PHE A 41 -8.133 -2.396 17.582 1.00 50.02 C ATOM 573 CD2 PHE A 41 -6.960 -0.924 16.120 1.00 11.24 C ATOM 574 CE1 PHE A 41 -9.332 -2.009 17.014 1.00 2.24 C ATOM 575 CE2 PHE A 41 -8.156 -0.533 15.548 1.00 13.55 C ATOM 576 CZ PHE A 41 -9.344 -1.075 15.996 1.00 35.34 C ATOM 0 H PHE A 41 -4.270 -0.677 19.421 1.00 73.03 H new ATOM 0 HA PHE A 41 -6.667 -2.402 19.641 1.00 63.41 H new ATOM 0 HB2 PHE A 41 -4.839 -1.629 17.399 1.00 41.00 H new ATOM 0 HB3 PHE A 41 -5.393 -3.291 17.426 1.00 41.00 H new ATOM 0 HD1 PHE A 41 -8.130 -3.126 18.378 1.00 50.02 H new ATOM 0 HD2 PHE A 41 -6.034 -0.496 15.766 1.00 11.24 H new ATOM 0 HE1 PHE A 41 -10.259 -2.437 17.366 1.00 2.24 H new ATOM 0 HE2 PHE A 41 -8.161 0.196 14.751 1.00 13.55 H new ATOM 0 HZ PHE A 41 -10.280 -0.770 15.552 1.00 35.34 H new ATOM 586 N PRO A 42 -4.990 -3.721 21.119 1.00 41.03 N ATOM 587 CA PRO A 42 -4.237 -4.784 21.791 1.00 22.14 C ATOM 588 C PRO A 42 -4.591 -6.169 21.261 1.00 24.22 C ATOM 589 O PRO A 42 -3.711 -6.960 20.918 1.00 64.43 O ATOM 590 CB PRO A 42 -4.660 -4.647 23.255 1.00 72.32 C ATOM 591 CG PRO A 42 -6.003 -4.007 23.204 1.00 24.35 C ATOM 592 CD PRO A 42 -5.982 -3.095 22.009 1.00 44.11 C ATOM 0 HA PRO A 42 -3.163 -4.686 21.633 1.00 22.14 H new ATOM 0 HB2 PRO A 42 -4.703 -5.619 23.747 1.00 72.32 H new ATOM 0 HB3 PRO A 42 -3.952 -4.037 23.816 1.00 72.32 H new ATOM 0 HG2 PRO A 42 -6.789 -4.756 23.109 1.00 24.35 H new ATOM 0 HG3 PRO A 42 -6.204 -3.448 24.118 1.00 24.35 H new ATOM 0 HD2 PRO A 42 -6.962 -3.030 21.536 1.00 44.11 H new ATOM 0 HD3 PRO A 42 -5.692 -2.080 22.283 1.00 44.11 H new ATOM 600 N THR A 43 -5.887 -6.459 21.196 1.00 23.11 N ATOM 601 CA THR A 43 -6.359 -7.749 20.709 1.00 24.20 C ATOM 602 C THR A 43 -6.154 -7.877 19.204 1.00 34.35 C ATOM 603 O THR A 43 -6.270 -6.900 18.466 1.00 64.34 O ATOM 604 CB THR A 43 -7.850 -7.961 21.032 1.00 33.24 C ATOM 605 OG1 THR A 43 -8.257 -7.068 22.076 1.00 33.35 O ATOM 606 CG2 THR A 43 -8.114 -9.398 21.456 1.00 12.11 C ATOM 0 H THR A 43 -6.629 -5.817 21.475 1.00 23.11 H new ATOM 0 HA THR A 43 -5.772 -8.513 21.219 1.00 24.20 H new ATOM 0 HB THR A 43 -8.427 -7.753 20.131 1.00 33.24 H new ATOM 0 HG1 THR A 43 -9.206 -7.208 22.274 1.00 33.35 H new ATOM 0 HG21 THR A 43 -9.174 -9.523 21.679 1.00 12.11 H new ATOM 0 HG22 THR A 43 -7.831 -10.073 20.649 1.00 12.11 H new ATOM 0 HG23 THR A 43 -7.527 -9.629 22.345 1.00 12.11 H new ATOM 614 N GLY A 44 -5.847 -9.090 18.754 1.00 21.24 N ATOM 615 CA GLY A 44 -5.631 -9.323 17.338 1.00 74.41 C ATOM 616 C GLY A 44 -6.554 -8.495 16.467 1.00 10.41 C ATOM 617 O GLY A 44 -7.707 -8.865 16.243 1.00 13.35 O ATOM 0 H GLY A 44 -5.744 -9.915 19.345 1.00 21.24 H new ATOM 0 HA2 GLY A 44 -4.596 -9.091 17.088 1.00 74.41 H new ATOM 0 HA3 GLY A 44 -5.782 -10.380 17.120 1.00 74.41 H new ATOM 621 N THR A 45 -6.047 -7.369 15.975 1.00 44.23 N ATOM 622 CA THR A 45 -6.835 -6.484 15.125 1.00 75.14 C ATOM 623 C THR A 45 -5.937 -5.654 14.214 1.00 65.13 C ATOM 624 O THR A 45 -4.768 -5.423 14.521 1.00 35.33 O ATOM 625 CB THR A 45 -7.714 -5.536 15.963 1.00 12.11 C ATOM 626 OG1 THR A 45 -6.935 -4.942 17.009 1.00 22.23 O ATOM 627 CG2 THR A 45 -8.894 -6.283 16.566 1.00 4.43 C ATOM 0 H THR A 45 -5.095 -7.048 16.150 1.00 44.23 H new ATOM 0 HA THR A 45 -7.478 -7.120 14.516 1.00 75.14 H new ATOM 0 HB THR A 45 -8.096 -4.755 15.306 1.00 12.11 H new ATOM 0 HG1 THR A 45 -6.955 -5.520 17.800 1.00 22.23 H new ATOM 0 HG21 THR A 45 -9.500 -5.593 17.153 1.00 4.43 H new ATOM 0 HG22 THR A 45 -9.501 -6.710 15.767 1.00 4.43 H new ATOM 0 HG23 THR A 45 -8.528 -7.082 17.210 1.00 4.43 H new ATOM 635 N LYS A 46 -6.493 -5.206 13.093 1.00 53.23 N ATOM 636 CA LYS A 46 -5.743 -4.399 12.137 1.00 33.21 C ATOM 637 C LYS A 46 -6.653 -3.891 11.023 1.00 30.54 C ATOM 638 O LYS A 46 -7.403 -4.660 10.422 1.00 1.03 O ATOM 639 CB LYS A 46 -4.595 -5.215 11.540 1.00 75.21 C ATOM 640 CG LYS A 46 -5.015 -6.589 11.048 1.00 71.15 C ATOM 641 CD LYS A 46 -3.956 -7.210 10.154 1.00 75.32 C ATOM 642 CE LYS A 46 -2.655 -7.441 10.908 1.00 73.31 C ATOM 643 NZ LYS A 46 -1.517 -6.706 10.292 1.00 11.21 N ATOM 0 H LYS A 46 -7.460 -5.388 12.824 1.00 53.23 H new ATOM 0 HA LYS A 46 -5.332 -3.540 12.667 1.00 33.21 H new ATOM 0 HB2 LYS A 46 -4.159 -4.659 10.710 1.00 75.21 H new ATOM 0 HB3 LYS A 46 -3.814 -5.331 12.291 1.00 75.21 H new ATOM 0 HG2 LYS A 46 -5.199 -7.241 11.902 1.00 71.15 H new ATOM 0 HG3 LYS A 46 -5.954 -6.509 10.500 1.00 71.15 H new ATOM 0 HD2 LYS A 46 -4.322 -8.158 9.759 1.00 75.32 H new ATOM 0 HD3 LYS A 46 -3.772 -6.558 9.300 1.00 75.32 H new ATOM 0 HE2 LYS A 46 -2.774 -7.123 11.944 1.00 73.31 H new ATOM 0 HE3 LYS A 46 -2.431 -8.508 10.926 1.00 73.31 H new ATOM 0 HZ1 LYS A 46 -0.650 -6.890 10.836 1.00 11.21 H new ATOM 0 HZ2 LYS A 46 -1.386 -7.028 9.312 1.00 11.21 H new ATOM 0 HZ3 LYS A 46 -1.719 -5.686 10.298 1.00 11.21 H new ATOM 657 N VAL A 47 -6.580 -2.593 10.752 1.00 50.54 N ATOM 658 CA VAL A 47 -7.394 -1.983 9.708 1.00 44.14 C ATOM 659 C VAL A 47 -6.793 -2.226 8.328 1.00 72.21 C ATOM 660 O VAL A 47 -5.867 -1.531 7.911 1.00 12.13 O ATOM 661 CB VAL A 47 -7.547 -0.465 9.929 1.00 34.04 C ATOM 662 CG1 VAL A 47 -8.339 0.163 8.793 1.00 13.11 C ATOM 663 CG2 VAL A 47 -8.210 -0.187 11.269 1.00 62.13 C ATOM 0 H VAL A 47 -5.965 -1.943 11.241 1.00 50.54 H new ATOM 0 HA VAL A 47 -8.377 -2.451 9.760 1.00 44.14 H new ATOM 0 HB VAL A 47 -6.554 -0.015 9.940 1.00 34.04 H new ATOM 0 HG11 VAL A 47 -8.437 1.235 8.967 1.00 13.11 H new ATOM 0 HG12 VAL A 47 -7.819 -0.006 7.850 1.00 13.11 H new ATOM 0 HG13 VAL A 47 -9.330 -0.289 8.747 1.00 13.11 H new ATOM 0 HG21 VAL A 47 -8.310 0.889 11.409 1.00 62.13 H new ATOM 0 HG22 VAL A 47 -9.197 -0.649 11.289 1.00 62.13 H new ATOM 0 HG23 VAL A 47 -7.599 -0.602 12.070 1.00 62.13 H new ATOM 673 N THR A 48 -7.326 -3.219 7.623 1.00 4.01 N ATOM 674 CA THR A 48 -6.843 -3.555 6.290 1.00 71.34 C ATOM 675 C THR A 48 -7.059 -2.401 5.319 1.00 62.02 C ATOM 676 O THR A 48 -6.170 -2.058 4.540 1.00 52.20 O ATOM 677 CB THR A 48 -7.542 -4.812 5.740 1.00 35.25 C ATOM 678 OG1 THR A 48 -7.775 -5.747 6.799 1.00 21.43 O ATOM 679 CG2 THR A 48 -6.701 -5.468 4.655 1.00 4.31 C ATOM 0 H THR A 48 -8.093 -3.805 7.954 1.00 4.01 H new ATOM 0 HA THR A 48 -5.775 -3.753 6.382 1.00 71.34 H new ATOM 0 HB THR A 48 -8.495 -4.509 5.307 1.00 35.25 H new ATOM 0 HG1 THR A 48 -8.221 -6.543 6.441 1.00 21.43 H new ATOM 0 HG21 THR A 48 -7.215 -6.354 4.282 1.00 4.31 H new ATOM 0 HG22 THR A 48 -6.550 -4.764 3.836 1.00 4.31 H new ATOM 0 HG23 THR A 48 -5.735 -5.757 5.068 1.00 4.31 H new ATOM 687 N SER A 49 -8.246 -1.804 5.371 1.00 50.42 N ATOM 688 CA SER A 49 -8.580 -0.689 4.493 1.00 14.24 C ATOM 689 C SER A 49 -9.448 0.334 5.219 1.00 73.24 C ATOM 690 O SER A 49 -10.077 0.023 6.230 1.00 52.32 O ATOM 691 CB SER A 49 -9.305 -1.196 3.244 1.00 43.14 C ATOM 692 OG SER A 49 -8.386 -1.492 2.207 1.00 25.34 O ATOM 0 H SER A 49 -8.992 -2.074 6.012 1.00 50.42 H new ATOM 0 HA SER A 49 -7.651 -0.203 4.194 1.00 14.24 H new ATOM 0 HB2 SER A 49 -9.880 -2.089 3.490 1.00 43.14 H new ATOM 0 HB3 SER A 49 -10.015 -0.444 2.901 1.00 43.14 H new ATOM 0 HG SER A 49 -8.873 -1.816 1.421 1.00 25.34 H new ATOM 698 N ALA A 50 -9.477 1.555 4.695 1.00 72.23 N ATOM 699 CA ALA A 50 -10.269 2.623 5.292 1.00 52.15 C ATOM 700 C ALA A 50 -10.721 3.626 4.236 1.00 41.01 C ATOM 701 O ALA A 50 -9.995 3.907 3.282 1.00 53.24 O ATOM 702 CB ALA A 50 -9.472 3.325 6.383 1.00 4.42 C ATOM 0 H ALA A 50 -8.961 1.829 3.859 1.00 72.23 H new ATOM 0 HA ALA A 50 -11.159 2.177 5.737 1.00 52.15 H new ATOM 0 HB1 ALA A 50 -10.076 4.120 6.820 1.00 4.42 H new ATOM 0 HB2 ALA A 50 -9.203 2.606 7.157 1.00 4.42 H new ATOM 0 HB3 ALA A 50 -8.565 3.752 5.954 1.00 4.42 H new ATOM 708 N TRP A 51 -11.923 4.163 4.412 1.00 22.33 N ATOM 709 CA TRP A 51 -12.472 5.134 3.473 1.00 71.55 C ATOM 710 C TRP A 51 -12.956 6.383 4.203 1.00 14.34 C ATOM 711 O TRP A 51 -13.438 6.304 5.333 1.00 42.42 O ATOM 712 CB TRP A 51 -13.622 4.513 2.681 1.00 4.51 C ATOM 713 CG TRP A 51 -14.615 3.792 3.540 1.00 31.32 C ATOM 714 CD1 TRP A 51 -15.602 4.352 4.300 1.00 10.10 C ATOM 715 CD2 TRP A 51 -14.716 2.376 3.729 1.00 53.30 C ATOM 716 NE1 TRP A 51 -16.310 3.369 4.950 1.00 63.12 N ATOM 717 CE2 TRP A 51 -15.786 2.149 4.615 1.00 64.31 C ATOM 718 CE3 TRP A 51 -14.008 1.278 3.233 1.00 34.10 C ATOM 719 CZ2 TRP A 51 -16.162 0.870 5.017 1.00 12.24 C ATOM 720 CZ3 TRP A 51 -14.381 0.008 3.632 1.00 64.25 C ATOM 721 CH2 TRP A 51 -15.451 -0.187 4.516 1.00 71.24 C ATOM 0 H TRP A 51 -12.536 3.942 5.197 1.00 22.33 H new ATOM 0 HA TRP A 51 -11.680 5.424 2.783 1.00 71.55 H new ATOM 0 HB2 TRP A 51 -14.136 5.297 2.125 1.00 4.51 H new ATOM 0 HB3 TRP A 51 -13.214 3.817 1.948 1.00 4.51 H new ATOM 0 HD1 TRP A 51 -15.798 5.411 4.379 1.00 10.10 H new ATOM 0 HE1 TRP A 51 -17.098 3.523 5.579 1.00 63.12 H new ATOM 0 HE3 TRP A 51 -13.184 1.419 2.550 1.00 34.10 H new ATOM 0 HZ2 TRP A 51 -16.985 0.717 5.700 1.00 12.24 H new ATOM 0 HZ3 TRP A 51 -13.839 -0.848 3.257 1.00 64.25 H new ATOM 0 HH2 TRP A 51 -15.720 -1.191 4.808 1.00 71.24 H new ATOM 732 N ASP A 52 -12.824 7.532 3.550 1.00 23.34 N ATOM 733 CA ASP A 52 -13.251 8.797 4.137 1.00 55.23 C ATOM 734 C ASP A 52 -12.425 9.126 5.377 1.00 71.32 C ATOM 735 O ASP A 52 -12.795 9.991 6.170 1.00 23.51 O ATOM 736 CB ASP A 52 -14.736 8.743 4.497 1.00 53.41 C ATOM 737 CG ASP A 52 -15.479 9.997 4.080 1.00 55.52 C ATOM 738 OD1 ASP A 52 -15.540 10.274 2.863 1.00 25.22 O ATOM 739 OD2 ASP A 52 -15.999 10.701 4.969 1.00 54.40 O ATOM 0 H ASP A 52 -12.425 7.614 2.615 1.00 23.34 H new ATOM 0 HA ASP A 52 -13.094 9.583 3.398 1.00 55.23 H new ATOM 0 HB2 ASP A 52 -15.192 7.877 4.017 1.00 53.41 H new ATOM 0 HB3 ASP A 52 -14.841 8.603 5.573 1.00 53.41 H new ATOM 744 N ALA A 53 -11.306 8.428 5.539 1.00 52.14 N ATOM 745 CA ALA A 53 -10.429 8.646 6.683 1.00 13.30 C ATOM 746 C ALA A 53 -9.131 7.857 6.537 1.00 52.35 C ATOM 747 O ALA A 53 -9.145 6.630 6.437 1.00 64.22 O ATOM 748 CB ALA A 53 -11.138 8.264 7.973 1.00 41.14 C ATOM 0 H ALA A 53 -10.985 7.707 4.893 1.00 52.14 H new ATOM 0 HA ALA A 53 -10.178 9.706 6.720 1.00 13.30 H new ATOM 0 HB1 ALA A 53 -10.471 8.432 8.818 1.00 41.14 H new ATOM 0 HB2 ALA A 53 -12.033 8.874 8.090 1.00 41.14 H new ATOM 0 HB3 ALA A 53 -11.419 7.211 7.936 1.00 41.14 H new ATOM 754 N THR A 54 -8.009 8.570 6.526 1.00 42.41 N ATOM 755 CA THR A 54 -6.703 7.938 6.390 1.00 72.32 C ATOM 756 C THR A 54 -6.246 7.332 7.712 1.00 53.02 C ATOM 757 O THR A 54 -5.889 8.051 8.646 1.00 2.32 O ATOM 758 CB THR A 54 -5.640 8.941 5.903 1.00 72.53 C ATOM 759 OG1 THR A 54 -5.999 9.446 4.613 1.00 3.21 O ATOM 760 CG2 THR A 54 -4.269 8.285 5.834 1.00 10.31 C ATOM 0 H THR A 54 -7.979 9.586 6.610 1.00 42.41 H new ATOM 0 HA THR A 54 -6.811 7.147 5.648 1.00 72.32 H new ATOM 0 HB THR A 54 -5.595 9.765 6.615 1.00 72.53 H new ATOM 0 HG1 THR A 54 -5.319 10.084 4.311 1.00 3.21 H new ATOM 0 HG21 THR A 54 -3.535 9.012 5.488 1.00 10.31 H new ATOM 0 HG22 THR A 54 -3.987 7.927 6.824 1.00 10.31 H new ATOM 0 HG23 THR A 54 -4.302 7.445 5.141 1.00 10.31 H new ATOM 768 N VAL A 55 -6.258 6.005 7.785 1.00 74.44 N ATOM 769 CA VAL A 55 -5.842 5.302 8.994 1.00 62.52 C ATOM 770 C VAL A 55 -4.357 4.961 8.948 1.00 24.34 C ATOM 771 O VAL A 55 -3.801 4.700 7.880 1.00 64.30 O ATOM 772 CB VAL A 55 -6.650 4.006 9.195 1.00 74.43 C ATOM 773 CG1 VAL A 55 -6.291 3.353 10.522 1.00 4.33 C ATOM 774 CG2 VAL A 55 -8.143 4.291 9.119 1.00 51.15 C ATOM 0 H VAL A 55 -6.551 5.395 7.022 1.00 74.44 H new ATOM 0 HA VAL A 55 -6.031 5.973 9.832 1.00 62.52 H new ATOM 0 HB VAL A 55 -6.395 3.312 8.394 1.00 74.43 H new ATOM 0 HG11 VAL A 55 -6.872 2.439 10.647 1.00 4.33 H new ATOM 0 HG12 VAL A 55 -5.228 3.112 10.533 1.00 4.33 H new ATOM 0 HG13 VAL A 55 -6.516 4.040 11.338 1.00 4.33 H new ATOM 0 HG21 VAL A 55 -8.698 3.364 9.263 1.00 51.15 H new ATOM 0 HG22 VAL A 55 -8.418 5.003 9.897 1.00 51.15 H new ATOM 0 HG23 VAL A 55 -8.384 4.710 8.142 1.00 51.15 H new ATOM 784 N THR A 56 -3.718 4.962 10.114 1.00 20.42 N ATOM 785 CA THR A 56 -2.298 4.653 10.207 1.00 10.02 C ATOM 786 C THR A 56 -2.002 3.788 11.427 1.00 40.13 C ATOM 787 O THR A 56 -2.587 3.980 12.491 1.00 75.44 O ATOM 788 CB THR A 56 -1.448 5.935 10.283 1.00 40.45 C ATOM 789 OG1 THR A 56 -1.508 6.637 9.037 1.00 14.35 O ATOM 790 CG2 THR A 56 0.000 5.606 10.617 1.00 22.05 C ATOM 0 H THR A 56 -4.163 5.174 11.007 1.00 20.42 H new ATOM 0 HA THR A 56 -2.034 4.104 9.303 1.00 10.02 H new ATOM 0 HB THR A 56 -1.852 6.566 11.075 1.00 40.45 H new ATOM 0 HG1 THR A 56 -0.966 7.452 9.094 1.00 14.35 H new ATOM 0 HG21 THR A 56 0.581 6.527 10.665 1.00 22.05 H new ATOM 0 HG22 THR A 56 0.045 5.098 11.580 1.00 22.05 H new ATOM 0 HG23 THR A 56 0.413 4.957 9.845 1.00 22.05 H new ATOM 798 N ASN A 57 -1.090 2.835 11.264 1.00 53.01 N ATOM 799 CA ASN A 57 -0.716 1.940 12.353 1.00 25.40 C ATOM 800 C ASN A 57 0.695 2.243 12.848 1.00 3.32 C ATOM 801 O ASN A 57 1.529 2.752 12.099 1.00 52.15 O ATOM 802 CB ASN A 57 -0.807 0.482 11.898 1.00 42.02 C ATOM 803 CG ASN A 57 0.461 0.011 11.212 1.00 25.24 C ATOM 804 OD1 ASN A 57 1.000 0.695 10.342 1.00 2.51 O ATOM 805 ND2 ASN A 57 0.942 -1.163 11.602 1.00 15.42 N ATOM 0 H ASN A 57 -0.596 2.663 10.388 1.00 53.01 H new ATOM 0 HA ASN A 57 -1.412 2.101 13.176 1.00 25.40 H new ATOM 0 HB2 ASN A 57 -1.008 -0.153 12.761 1.00 42.02 H new ATOM 0 HB3 ASN A 57 -1.650 0.369 11.216 1.00 42.02 H new ATOM 0 HD21 ASN A 57 1.792 -1.533 11.177 1.00 15.42 H new ATOM 0 HD22 ASN A 57 0.461 -1.696 12.327 1.00 15.42 H new ATOM 812 N SER A 58 0.954 1.926 14.112 1.00 12.50 N ATOM 813 CA SER A 58 2.264 2.168 14.707 1.00 43.01 C ATOM 814 C SER A 58 2.493 1.251 15.905 1.00 11.42 C ATOM 815 O SER A 58 2.239 1.629 17.048 1.00 50.23 O ATOM 816 CB SER A 58 2.390 3.631 15.137 1.00 31.53 C ATOM 817 OG SER A 58 1.822 4.497 14.172 1.00 43.33 O ATOM 0 H SER A 58 0.275 1.501 14.744 1.00 12.50 H new ATOM 0 HA SER A 58 3.024 1.952 13.956 1.00 43.01 H new ATOM 0 HB2 SER A 58 1.893 3.775 16.097 1.00 31.53 H new ATOM 0 HB3 SER A 58 3.441 3.882 15.281 1.00 31.53 H new ATOM 0 HG SER A 58 0.848 4.514 14.281 1.00 43.33 H new ATOM 823 N GLY A 59 2.976 0.043 15.634 1.00 21.25 N ATOM 824 CA GLY A 59 3.231 -0.910 16.699 1.00 12.45 C ATOM 825 C GLY A 59 1.961 -1.555 17.216 1.00 73.33 C ATOM 826 O GLY A 59 1.507 -2.566 16.680 1.00 25.32 O ATOM 0 H GLY A 59 3.195 -0.293 14.696 1.00 21.25 H new ATOM 0 HA2 GLY A 59 3.906 -1.685 16.335 1.00 12.45 H new ATOM 0 HA3 GLY A 59 3.739 -0.405 17.521 1.00 12.45 H new ATOM 830 N ASP A 60 1.387 -0.972 18.263 1.00 11.42 N ATOM 831 CA ASP A 60 0.162 -1.496 18.854 1.00 35.52 C ATOM 832 C ASP A 60 -0.907 -0.411 18.941 1.00 31.22 C ATOM 833 O ASP A 60 -1.975 -0.623 19.517 1.00 44.24 O ATOM 834 CB ASP A 60 0.444 -2.064 20.245 1.00 74.23 C ATOM 835 CG ASP A 60 1.456 -3.193 20.216 1.00 1.02 C ATOM 836 OD1 ASP A 60 1.645 -3.793 19.136 1.00 42.34 O ATOM 837 OD2 ASP A 60 2.059 -3.478 21.272 1.00 41.33 O ATOM 0 H ASP A 60 1.751 -0.136 18.720 1.00 11.42 H new ATOM 0 HA ASP A 60 -0.209 -2.295 18.212 1.00 35.52 H new ATOM 0 HB2 ASP A 60 0.811 -1.267 20.892 1.00 74.23 H new ATOM 0 HB3 ASP A 60 -0.487 -2.426 20.682 1.00 74.23 H new ATOM 842 N HIS A 61 -0.612 0.750 18.367 1.00 42.42 N ATOM 843 CA HIS A 61 -1.548 1.869 18.381 1.00 3.21 C ATOM 844 C HIS A 61 -1.920 2.283 16.959 1.00 75.13 C ATOM 845 O HIS A 61 -1.098 2.209 16.047 1.00 40.32 O ATOM 846 CB HIS A 61 -0.944 3.057 19.129 1.00 60.33 C ATOM 847 CG HIS A 61 -1.809 4.280 19.108 1.00 32.11 C ATOM 848 ND1 HIS A 61 -2.561 4.689 20.189 1.00 72.31 N ATOM 849 CD2 HIS A 61 -2.037 5.186 18.129 1.00 60.23 C ATOM 850 CE1 HIS A 61 -3.216 5.792 19.876 1.00 44.24 C ATOM 851 NE2 HIS A 61 -2.915 6.116 18.631 1.00 23.32 N ATOM 0 H HIS A 61 0.267 0.941 17.886 1.00 42.42 H new ATOM 0 HA HIS A 61 -2.453 1.548 18.896 1.00 3.21 H new ATOM 0 HB2 HIS A 61 -0.761 2.769 20.164 1.00 60.33 H new ATOM 0 HB3 HIS A 61 0.024 3.299 18.689 1.00 60.33 H new ATOM 0 HD1 HIS A 61 -2.605 4.213 21.090 1.00 72.31 H new ATOM 0 HD2 HIS A 61 -1.609 5.179 17.138 1.00 60.23 H new ATOM 0 HE1 HIS A 61 -3.884 6.337 20.527 1.00 44.24 H new ATOM 859 N TRP A 62 -3.162 2.717 16.782 1.00 42.22 N ATOM 860 CA TRP A 62 -3.643 3.142 15.471 1.00 31.30 C ATOM 861 C TRP A 62 -4.245 4.541 15.540 1.00 43.41 C ATOM 862 O TRP A 62 -4.737 4.966 16.587 1.00 4.33 O ATOM 863 CB TRP A 62 -4.680 2.151 14.940 1.00 42.35 C ATOM 864 CG TRP A 62 -4.097 0.821 14.573 1.00 44.22 C ATOM 865 CD1 TRP A 62 -3.544 -0.095 15.422 1.00 43.21 C ATOM 866 CD2 TRP A 62 -4.009 0.258 13.259 1.00 34.41 C ATOM 867 NE1 TRP A 62 -3.117 -1.193 14.715 1.00 23.14 N ATOM 868 CE2 TRP A 62 -3.391 -1.002 13.387 1.00 72.02 C ATOM 869 CE3 TRP A 62 -4.392 0.693 11.988 1.00 44.44 C ATOM 870 CZ2 TRP A 62 -3.149 -1.826 12.292 1.00 24.25 C ATOM 871 CZ3 TRP A 62 -4.151 -0.125 10.901 1.00 72.23 C ATOM 872 CH2 TRP A 62 -3.535 -1.374 11.059 1.00 4.50 C ATOM 0 H TRP A 62 -3.854 2.784 17.528 1.00 42.22 H new ATOM 0 HA TRP A 62 -2.793 3.167 14.789 1.00 31.30 H new ATOM 0 HB2 TRP A 62 -5.452 2.005 15.695 1.00 42.35 H new ATOM 0 HB3 TRP A 62 -5.167 2.580 14.064 1.00 42.35 H new ATOM 0 HD1 TRP A 62 -3.455 0.026 16.492 1.00 43.21 H new ATOM 0 HE1 TRP A 62 -2.668 -2.017 15.115 1.00 23.14 H new ATOM 0 HE3 TRP A 62 -4.869 1.653 11.857 1.00 44.44 H new ATOM 0 HZ2 TRP A 62 -2.673 -2.788 12.411 1.00 24.25 H new ATOM 0 HZ3 TRP A 62 -4.442 0.203 9.914 1.00 72.23 H new ATOM 0 HH2 TRP A 62 -3.361 -1.992 10.191 1.00 4.50 H new ATOM 883 N THR A 63 -4.204 5.254 14.419 1.00 24.13 N ATOM 884 CA THR A 63 -4.745 6.606 14.353 1.00 20.14 C ATOM 885 C THR A 63 -5.506 6.830 13.051 1.00 51.34 C ATOM 886 O THR A 63 -5.192 6.227 12.025 1.00 53.23 O ATOM 887 CB THR A 63 -3.631 7.663 14.473 1.00 5.21 C ATOM 888 OG1 THR A 63 -4.207 8.965 14.632 1.00 74.30 O ATOM 889 CG2 THR A 63 -2.735 7.646 13.243 1.00 63.23 C ATOM 0 H THR A 63 -3.802 4.918 13.544 1.00 24.13 H new ATOM 0 HA THR A 63 -5.430 6.715 15.194 1.00 20.14 H new ATOM 0 HB THR A 63 -3.026 7.424 15.348 1.00 5.21 H new ATOM 0 HG1 THR A 63 -3.506 9.645 14.549 1.00 74.30 H new ATOM 0 HG21 THR A 63 -1.956 8.401 13.350 1.00 63.23 H new ATOM 0 HG22 THR A 63 -2.276 6.663 13.141 1.00 63.23 H new ATOM 0 HG23 THR A 63 -3.330 7.863 12.356 1.00 63.23 H new ATOM 897 N ALA A 64 -6.508 7.703 13.100 1.00 14.43 N ATOM 898 CA ALA A 64 -7.312 8.009 11.923 1.00 15.14 C ATOM 899 C ALA A 64 -7.423 9.515 11.710 1.00 75.42 C ATOM 900 O ALA A 64 -7.825 10.251 12.612 1.00 62.10 O ATOM 901 CB ALA A 64 -8.694 7.388 12.052 1.00 30.45 C ATOM 0 H ALA A 64 -6.782 8.210 13.942 1.00 14.43 H new ATOM 0 HA ALA A 64 -6.814 7.582 11.052 1.00 15.14 H new ATOM 0 HB1 ALA A 64 -9.283 7.625 11.166 1.00 30.45 H new ATOM 0 HB2 ALA A 64 -8.599 6.306 12.147 1.00 30.45 H new ATOM 0 HB3 ALA A 64 -9.191 7.787 12.936 1.00 30.45 H new ATOM 907 N LYS A 65 -7.065 9.968 10.514 1.00 34.31 N ATOM 908 CA LYS A 65 -7.126 11.386 10.182 1.00 73.35 C ATOM 909 C LYS A 65 -7.583 11.589 8.741 1.00 35.41 C ATOM 910 O LYS A 65 -7.195 10.839 7.846 1.00 61.21 O ATOM 911 CB LYS A 65 -5.757 12.038 10.391 1.00 73.13 C ATOM 912 CG LYS A 65 -4.627 11.327 9.668 1.00 34.50 C ATOM 913 CD LYS A 65 -4.009 10.240 10.532 1.00 15.35 C ATOM 914 CE LYS A 65 -2.692 10.694 11.142 1.00 14.31 C ATOM 915 NZ LYS A 65 -1.546 9.870 10.666 1.00 4.34 N ATOM 0 H LYS A 65 -6.729 9.373 9.757 1.00 34.31 H new ATOM 0 HA LYS A 65 -7.852 11.858 10.844 1.00 73.35 H new ATOM 0 HB2 LYS A 65 -5.801 13.072 10.050 1.00 73.13 H new ATOM 0 HB3 LYS A 65 -5.535 12.063 11.458 1.00 73.13 H new ATOM 0 HG2 LYS A 65 -5.004 10.888 8.744 1.00 34.50 H new ATOM 0 HG3 LYS A 65 -3.861 12.050 9.388 1.00 34.50 H new ATOM 0 HD2 LYS A 65 -4.704 9.966 11.326 1.00 15.35 H new ATOM 0 HD3 LYS A 65 -3.844 9.346 9.931 1.00 15.35 H new ATOM 0 HE2 LYS A 65 -2.517 11.740 10.890 1.00 14.31 H new ATOM 0 HE3 LYS A 65 -2.755 10.634 12.229 1.00 14.31 H new ATOM 0 HZ1 LYS A 65 -0.667 10.211 11.105 1.00 4.34 H new ATOM 0 HZ2 LYS A 65 -1.701 8.876 10.929 1.00 4.34 H new ATOM 0 HZ3 LYS A 65 -1.469 9.947 9.632 1.00 4.34 H new ATOM 929 N ASN A 66 -8.407 12.608 8.525 1.00 4.31 N ATOM 930 CA ASN A 66 -8.916 12.911 7.192 1.00 33.54 C ATOM 931 C ASN A 66 -8.443 14.285 6.728 1.00 53.11 C ATOM 932 O ASN A 66 -7.888 14.427 5.638 1.00 3.14 O ATOM 933 CB ASN A 66 -10.445 12.854 7.182 1.00 51.21 C ATOM 934 CG ASN A 66 -11.026 13.181 5.821 1.00 4.42 C ATOM 935 OD1 ASN A 66 -11.853 14.083 5.686 1.00 62.14 O ATOM 936 ND2 ASN A 66 -10.596 12.446 4.801 1.00 51.01 N ATOM 0 H ASN A 66 -8.737 13.239 9.256 1.00 4.31 H new ATOM 0 HA ASN A 66 -8.527 12.162 6.503 1.00 33.54 H new ATOM 0 HB2 ASN A 66 -10.771 11.859 7.484 1.00 51.21 H new ATOM 0 HB3 ASN A 66 -10.837 13.555 7.919 1.00 51.21 H new ATOM 0 HD21 ASN A 66 -10.952 12.620 3.861 1.00 51.01 H new ATOM 0 HD22 ASN A 66 -9.909 11.708 4.958 1.00 51.01 H new ATOM 943 N VAL A 67 -8.666 15.294 7.563 1.00 40.11 N ATOM 944 CA VAL A 67 -8.261 16.658 7.240 1.00 30.42 C ATOM 945 C VAL A 67 -6.967 17.031 7.955 1.00 45.13 C ATOM 946 O VAL A 67 -6.810 18.157 8.426 1.00 74.51 O ATOM 947 CB VAL A 67 -9.356 17.673 7.619 1.00 0.05 C ATOM 948 CG1 VAL A 67 -9.430 18.788 6.588 1.00 11.40 C ATOM 949 CG2 VAL A 67 -10.701 16.977 7.760 1.00 71.32 C ATOM 0 H VAL A 67 -9.125 15.194 8.468 1.00 40.11 H new ATOM 0 HA VAL A 67 -8.100 16.694 6.163 1.00 30.42 H new ATOM 0 HB VAL A 67 -9.099 18.116 8.581 1.00 0.05 H new ATOM 0 HG11 VAL A 67 -10.209 19.495 6.872 1.00 11.40 H new ATOM 0 HG12 VAL A 67 -8.471 19.304 6.541 1.00 11.40 H new ATOM 0 HG13 VAL A 67 -9.663 18.365 5.611 1.00 11.40 H new ATOM 0 HG21 VAL A 67 -11.463 17.709 8.028 1.00 71.32 H new ATOM 0 HG22 VAL A 67 -10.968 16.505 6.814 1.00 71.32 H new ATOM 0 HG23 VAL A 67 -10.638 16.217 8.539 1.00 71.32 H new ATOM 959 N GLY A 68 -6.044 16.079 8.031 1.00 75.21 N ATOM 960 CA GLY A 68 -4.774 16.327 8.690 1.00 11.52 C ATOM 961 C GLY A 68 -3.833 17.157 7.839 1.00 34.24 C ATOM 962 O GLY A 68 -2.723 17.480 8.264 1.00 33.53 O ATOM 0 H GLY A 68 -6.152 15.140 7.648 1.00 75.21 H new ATOM 0 HA2 GLY A 68 -4.952 16.840 9.635 1.00 11.52 H new ATOM 0 HA3 GLY A 68 -4.300 15.375 8.928 1.00 11.52 H new ATOM 966 N TRP A 69 -4.274 17.502 6.635 1.00 34.52 N ATOM 967 CA TRP A 69 -3.461 18.298 5.723 1.00 3.33 C ATOM 968 C TRP A 69 -4.070 19.681 5.516 1.00 23.42 C ATOM 969 O TRP A 69 -3.355 20.656 5.293 1.00 51.51 O ATOM 970 CB TRP A 69 -3.320 17.584 4.377 1.00 22.34 C ATOM 971 CG TRP A 69 -4.541 16.806 3.986 1.00 60.24 C ATOM 972 CD1 TRP A 69 -4.807 15.499 4.275 1.00 32.43 C ATOM 973 CD2 TRP A 69 -5.660 17.288 3.234 1.00 53.43 C ATOM 974 NE1 TRP A 69 -6.023 15.138 3.748 1.00 43.53 N ATOM 975 CE2 TRP A 69 -6.566 16.219 3.104 1.00 62.43 C ATOM 976 CE3 TRP A 69 -5.984 18.520 2.660 1.00 31.03 C ATOM 977 CZ2 TRP A 69 -7.775 16.346 2.423 1.00 53.32 C ATOM 978 CZ3 TRP A 69 -7.182 18.644 1.983 1.00 64.42 C ATOM 979 CH2 TRP A 69 -8.066 17.563 1.870 1.00 71.34 C ATOM 0 H TRP A 69 -5.190 17.243 6.268 1.00 34.52 H new ATOM 0 HA TRP A 69 -2.473 18.419 6.168 1.00 3.33 H new ATOM 0 HB2 TRP A 69 -3.105 18.321 3.604 1.00 22.34 H new ATOM 0 HB3 TRP A 69 -2.466 16.908 4.420 1.00 22.34 H new ATOM 0 HD1 TRP A 69 -4.157 14.844 4.836 1.00 32.43 H new ATOM 0 HE1 TRP A 69 -6.452 14.216 3.824 1.00 43.53 H new ATOM 0 HE3 TRP A 69 -5.310 19.360 2.744 1.00 31.03 H new ATOM 0 HZ2 TRP A 69 -8.458 15.514 2.335 1.00 53.32 H new ATOM 0 HZ3 TRP A 69 -7.442 19.591 1.533 1.00 64.42 H new ATOM 0 HH2 TRP A 69 -8.996 17.693 1.336 1.00 71.34 H new ATOM 990 N ASN A 70 -5.395 19.756 5.593 1.00 70.30 N ATOM 991 CA ASN A 70 -6.099 21.020 5.415 1.00 40.12 C ATOM 992 C ASN A 70 -6.518 21.605 6.761 1.00 1.51 C ATOM 993 O ASN A 70 -6.315 22.789 7.025 1.00 10.53 O ATOM 994 CB ASN A 70 -7.330 20.822 4.528 1.00 53.11 C ATOM 995 CG ASN A 70 -7.185 21.497 3.178 1.00 33.14 C ATOM 996 OD1 ASN A 70 -6.077 21.650 2.663 1.00 73.53 O ATOM 997 ND2 ASN A 70 -8.308 21.904 2.596 1.00 53.43 N ATOM 0 H ASN A 70 -6.002 18.957 5.777 1.00 70.30 H new ATOM 0 HA ASN A 70 -5.418 21.720 4.931 1.00 40.12 H new ATOM 0 HB2 ASN A 70 -7.501 19.756 4.381 1.00 53.11 H new ATOM 0 HB3 ASN A 70 -8.209 21.219 5.037 1.00 53.11 H new ATOM 0 HD21 ASN A 70 -8.273 22.364 1.686 1.00 53.43 H new ATOM 0 HD22 ASN A 70 -9.205 21.757 3.059 1.00 53.43 H new ATOM 1004 N GLY A 71 -7.103 20.764 7.609 1.00 43.13 N ATOM 1005 CA GLY A 71 -7.540 21.215 8.917 1.00 65.04 C ATOM 1006 C GLY A 71 -8.402 22.460 8.843 1.00 0.11 C ATOM 1007 O GLY A 71 -8.097 23.475 9.470 1.00 24.51 O ATOM 0 H GLY A 71 -7.282 19.779 7.413 1.00 43.13 H new ATOM 0 HA2 GLY A 71 -8.100 20.417 9.404 1.00 65.04 H new ATOM 0 HA3 GLY A 71 -6.668 21.417 9.538 1.00 65.04 H new ATOM 1011 N THR A 72 -9.483 22.385 8.071 1.00 51.24 N ATOM 1012 CA THR A 72 -10.390 23.515 7.915 1.00 50.01 C ATOM 1013 C THR A 72 -11.842 23.081 8.080 1.00 21.34 C ATOM 1014 O THR A 72 -12.477 22.627 7.127 1.00 4.45 O ATOM 1015 CB THR A 72 -10.219 24.186 6.539 1.00 4.55 C ATOM 1016 OG1 THR A 72 -11.291 25.107 6.307 1.00 11.20 O ATOM 1017 CG2 THR A 72 -10.190 23.145 5.429 1.00 74.33 C ATOM 0 H THR A 72 -9.751 21.553 7.545 1.00 51.24 H new ATOM 0 HA THR A 72 -10.138 24.233 8.695 1.00 50.01 H new ATOM 0 HB THR A 72 -9.271 24.724 6.537 1.00 4.55 H new ATOM 0 HG1 THR A 72 -11.174 25.531 5.431 1.00 11.20 H new ATOM 0 HG21 THR A 72 -10.069 23.642 4.467 1.00 74.33 H new ATOM 0 HG22 THR A 72 -9.356 22.462 5.592 1.00 74.33 H new ATOM 0 HG23 THR A 72 -11.124 22.584 5.432 1.00 74.33 H new ATOM 1025 N LEU A 73 -12.363 23.223 9.293 1.00 75.04 N ATOM 1026 CA LEU A 73 -13.742 22.846 9.582 1.00 62.14 C ATOM 1027 C LEU A 73 -14.419 23.892 10.463 1.00 41.10 C ATOM 1028 O LEU A 73 -13.753 24.693 11.118 1.00 32.22 O ATOM 1029 CB LEU A 73 -13.785 21.481 10.270 1.00 75.23 C ATOM 1030 CG LEU A 73 -15.097 20.707 10.144 1.00 61.51 C ATOM 1031 CD1 LEU A 73 -14.827 19.247 9.814 1.00 34.24 C ATOM 1032 CD2 LEU A 73 -15.910 20.824 11.426 1.00 35.41 C ATOM 0 H LEU A 73 -11.852 23.596 10.093 1.00 75.04 H new ATOM 0 HA LEU A 73 -14.282 22.788 8.637 1.00 62.14 H new ATOM 0 HB2 LEU A 73 -12.983 20.866 9.862 1.00 75.23 H new ATOM 0 HB3 LEU A 73 -13.571 21.623 11.329 1.00 75.23 H new ATOM 0 HG LEU A 73 -15.676 21.141 9.329 1.00 61.51 H new ATOM 0 HD11 LEU A 73 -15.773 18.712 9.728 1.00 34.24 H new ATOM 0 HD12 LEU A 73 -14.286 19.181 8.870 1.00 34.24 H new ATOM 0 HD13 LEU A 73 -14.228 18.799 10.607 1.00 34.24 H new ATOM 0 HD21 LEU A 73 -16.841 20.267 11.319 1.00 35.41 H new ATOM 0 HD22 LEU A 73 -15.337 20.416 12.259 1.00 35.41 H new ATOM 0 HD23 LEU A 73 -16.135 21.873 11.620 1.00 35.41 H new ATOM 1044 N ALA A 74 -15.748 23.878 10.473 1.00 63.15 N ATOM 1045 CA ALA A 74 -16.515 24.822 11.276 1.00 44.34 C ATOM 1046 C ALA A 74 -16.627 24.351 12.722 1.00 10.35 C ATOM 1047 O ALA A 74 -16.402 23.182 13.038 1.00 50.43 O ATOM 1048 CB ALA A 74 -17.899 25.022 10.676 1.00 23.32 C ATOM 0 H ALA A 74 -16.315 23.224 9.934 1.00 63.15 H new ATOM 0 HA ALA A 74 -15.987 25.776 11.273 1.00 44.34 H new ATOM 0 HB1 ALA A 74 -18.461 25.729 11.286 1.00 23.32 H new ATOM 0 HB2 ALA A 74 -17.803 25.412 9.663 1.00 23.32 H new ATOM 0 HB3 ALA A 74 -18.425 24.068 10.649 1.00 23.32 H new ATOM 1054 N PRO A 75 -16.981 25.280 13.622 1.00 34.51 N ATOM 1055 CA PRO A 75 -17.129 24.981 15.050 1.00 71.01 C ATOM 1056 C PRO A 75 -18.342 24.102 15.336 1.00 53.30 C ATOM 1057 O PRO A 75 -18.527 23.628 16.456 1.00 43.02 O ATOM 1058 CB PRO A 75 -17.310 26.363 15.684 1.00 53.31 C ATOM 1059 CG PRO A 75 -17.867 27.210 14.593 1.00 42.54 C ATOM 1060 CD PRO A 75 -17.264 26.692 13.317 1.00 12.41 C ATOM 0 HA PRO A 75 -16.277 24.425 15.440 1.00 71.01 H new ATOM 0 HB2 PRO A 75 -17.987 26.321 16.538 1.00 53.31 H new ATOM 0 HB3 PRO A 75 -16.362 26.759 16.048 1.00 53.31 H new ATOM 0 HG2 PRO A 75 -18.955 27.145 14.565 1.00 42.54 H new ATOM 0 HG3 PRO A 75 -17.614 28.259 14.746 1.00 42.54 H new ATOM 0 HD2 PRO A 75 -17.952 26.792 12.478 1.00 12.41 H new ATOM 0 HD3 PRO A 75 -16.357 27.235 13.052 1.00 12.41 H new ATOM 1068 N GLY A 76 -19.164 23.886 14.314 1.00 65.32 N ATOM 1069 CA GLY A 76 -20.349 23.063 14.476 1.00 51.21 C ATOM 1070 C GLY A 76 -20.624 22.197 13.263 1.00 51.23 C ATOM 1071 O GLY A 76 -20.898 22.708 12.178 1.00 5.42 O ATOM 0 H GLY A 76 -19.031 24.266 13.377 1.00 65.32 H new ATOM 0 HA2 GLY A 76 -20.229 22.427 15.353 1.00 51.21 H new ATOM 0 HA3 GLY A 76 -21.210 23.704 14.663 1.00 51.21 H new ATOM 1075 N ALA A 77 -20.548 20.883 13.446 1.00 44.32 N ATOM 1076 CA ALA A 77 -20.792 19.946 12.356 1.00 63.51 C ATOM 1077 C ALA A 77 -20.667 18.504 12.836 1.00 31.25 C ATOM 1078 O ALA A 77 -20.254 18.248 13.967 1.00 41.43 O ATOM 1079 CB ALA A 77 -19.829 20.208 11.208 1.00 71.21 C ATOM 0 H ALA A 77 -20.320 20.443 14.338 1.00 44.32 H new ATOM 0 HA ALA A 77 -21.811 20.097 12.001 1.00 63.51 H new ATOM 0 HB1 ALA A 77 -20.023 19.501 10.402 1.00 71.21 H new ATOM 0 HB2 ALA A 77 -19.969 21.225 10.841 1.00 71.21 H new ATOM 0 HB3 ALA A 77 -18.804 20.087 11.558 1.00 71.21 H new ATOM 1085 N SER A 78 -21.027 17.563 11.968 1.00 62.05 N ATOM 1086 CA SER A 78 -20.960 16.146 12.306 1.00 13.33 C ATOM 1087 C SER A 78 -20.585 15.315 11.082 1.00 33.44 C ATOM 1088 O SER A 78 -21.164 15.474 10.008 1.00 11.14 O ATOM 1089 CB SER A 78 -22.299 15.669 12.870 1.00 4.53 C ATOM 1090 OG SER A 78 -22.903 16.673 13.668 1.00 54.31 O ATOM 0 H SER A 78 -21.368 17.756 11.026 1.00 62.05 H new ATOM 0 HA SER A 78 -20.189 16.014 13.065 1.00 13.33 H new ATOM 0 HB2 SER A 78 -22.967 15.400 12.052 1.00 4.53 H new ATOM 0 HB3 SER A 78 -22.146 14.769 13.466 1.00 4.53 H new ATOM 0 HG SER A 78 -23.758 16.344 14.016 1.00 54.31 H new ATOM 1096 N VAL A 79 -19.612 14.424 11.255 1.00 4.42 N ATOM 1097 CA VAL A 79 -19.160 13.566 10.167 1.00 64.02 C ATOM 1098 C VAL A 79 -18.809 12.173 10.676 1.00 21.34 C ATOM 1099 O VAL A 79 -18.375 12.008 11.816 1.00 72.22 O ATOM 1100 CB VAL A 79 -17.933 14.163 9.453 1.00 2.42 C ATOM 1101 CG1 VAL A 79 -17.576 13.340 8.225 1.00 63.21 C ATOM 1102 CG2 VAL A 79 -18.191 15.614 9.076 1.00 43.02 C ATOM 0 H VAL A 79 -19.123 14.279 12.138 1.00 4.42 H new ATOM 0 HA VAL A 79 -19.984 13.494 9.458 1.00 64.02 H new ATOM 0 HB VAL A 79 -17.086 14.134 10.138 1.00 2.42 H new ATOM 0 HG11 VAL A 79 -16.707 13.777 7.734 1.00 63.21 H new ATOM 0 HG12 VAL A 79 -17.347 12.318 8.526 1.00 63.21 H new ATOM 0 HG13 VAL A 79 -18.419 13.334 7.533 1.00 63.21 H new ATOM 0 HG21 VAL A 79 -17.314 16.021 8.572 1.00 43.02 H new ATOM 0 HG22 VAL A 79 -19.051 15.669 8.408 1.00 43.02 H new ATOM 0 HG23 VAL A 79 -18.393 16.194 9.977 1.00 43.02 H new ATOM 1112 N SER A 80 -19.000 11.171 9.823 1.00 11.40 N ATOM 1113 CA SER A 80 -18.706 9.790 10.187 1.00 12.00 C ATOM 1114 C SER A 80 -17.855 9.115 9.116 1.00 22.44 C ATOM 1115 O SER A 80 -18.114 9.255 7.921 1.00 3.21 O ATOM 1116 CB SER A 80 -20.005 9.007 10.392 1.00 50.10 C ATOM 1117 OG SER A 80 -20.528 8.555 9.154 1.00 71.55 O ATOM 0 H SER A 80 -19.357 11.290 8.875 1.00 11.40 H new ATOM 0 HA SER A 80 -18.144 9.798 11.121 1.00 12.00 H new ATOM 0 HB2 SER A 80 -19.820 8.154 11.046 1.00 50.10 H new ATOM 0 HB3 SER A 80 -20.739 9.639 10.892 1.00 50.10 H new ATOM 0 HG SER A 80 -21.357 8.056 9.312 1.00 71.55 H new ATOM 1123 N PHE A 81 -16.837 8.381 9.554 1.00 43.41 N ATOM 1124 CA PHE A 81 -15.946 7.684 8.634 1.00 71.11 C ATOM 1125 C PHE A 81 -15.922 6.187 8.930 1.00 42.53 C ATOM 1126 O PHE A 81 -15.830 5.773 10.084 1.00 70.44 O ATOM 1127 CB PHE A 81 -14.530 8.257 8.729 1.00 73.30 C ATOM 1128 CG PHE A 81 -13.790 7.824 9.963 1.00 14.54 C ATOM 1129 CD1 PHE A 81 -13.041 6.658 9.963 1.00 22.32 C ATOM 1130 CD2 PHE A 81 -13.843 8.582 11.121 1.00 44.03 C ATOM 1131 CE1 PHE A 81 -12.359 6.257 11.096 1.00 35.13 C ATOM 1132 CE2 PHE A 81 -13.162 8.186 12.257 1.00 13.43 C ATOM 1133 CZ PHE A 81 -12.420 7.021 12.245 1.00 1.44 C ATOM 0 H PHE A 81 -16.609 8.254 10.540 1.00 43.41 H new ATOM 0 HA PHE A 81 -16.322 7.831 7.622 1.00 71.11 H new ATOM 0 HB2 PHE A 81 -13.963 7.952 7.849 1.00 73.30 H new ATOM 0 HB3 PHE A 81 -14.585 9.345 8.711 1.00 73.30 H new ATOM 0 HD1 PHE A 81 -12.990 6.056 9.068 1.00 22.32 H new ATOM 0 HD2 PHE A 81 -14.423 9.493 11.137 1.00 44.03 H new ATOM 0 HE1 PHE A 81 -11.778 5.346 11.083 1.00 35.13 H new ATOM 0 HE2 PHE A 81 -13.210 8.787 13.153 1.00 13.43 H new ATOM 0 HZ PHE A 81 -11.889 6.708 13.132 1.00 1.44 H new ATOM 1143 N GLY A 82 -16.005 5.380 7.876 1.00 4.43 N ATOM 1144 CA GLY A 82 -15.992 3.939 8.042 1.00 15.22 C ATOM 1145 C GLY A 82 -14.701 3.311 7.556 1.00 12.10 C ATOM 1146 O GLY A 82 -13.815 4.004 7.055 1.00 54.02 O ATOM 0 H GLY A 82 -16.081 5.699 6.910 1.00 4.43 H new ATOM 0 HA2 GLY A 82 -16.137 3.696 9.095 1.00 15.22 H new ATOM 0 HA3 GLY A 82 -16.831 3.506 7.497 1.00 15.22 H new ATOM 1150 N PHE A 83 -14.592 1.995 7.705 1.00 13.34 N ATOM 1151 CA PHE A 83 -13.398 1.273 7.279 1.00 72.24 C ATOM 1152 C PHE A 83 -13.589 -0.232 7.433 1.00 20.42 C ATOM 1153 O PHE A 83 -14.644 -0.694 7.866 1.00 63.13 O ATOM 1154 CB PHE A 83 -12.184 1.731 8.091 1.00 32.34 C ATOM 1155 CG PHE A 83 -12.152 1.174 9.486 1.00 11.12 C ATOM 1156 CD1 PHE A 83 -12.861 1.785 10.506 1.00 65.33 C ATOM 1157 CD2 PHE A 83 -11.412 0.039 9.776 1.00 52.32 C ATOM 1158 CE1 PHE A 83 -12.832 1.277 11.790 1.00 20.42 C ATOM 1159 CE2 PHE A 83 -11.379 -0.475 11.058 1.00 52.23 C ATOM 1160 CZ PHE A 83 -12.091 0.144 12.067 1.00 54.13 C ATOM 0 H PHE A 83 -15.316 1.406 8.117 1.00 13.34 H new ATOM 0 HA PHE A 83 -13.226 1.493 6.225 1.00 72.24 H new ATOM 0 HB2 PHE A 83 -11.274 1.434 7.569 1.00 32.34 H new ATOM 0 HB3 PHE A 83 -12.181 2.820 8.143 1.00 32.34 H new ATOM 0 HD1 PHE A 83 -13.444 2.669 10.295 1.00 65.33 H new ATOM 0 HD2 PHE A 83 -10.854 -0.450 8.991 1.00 52.32 H new ATOM 0 HE1 PHE A 83 -13.388 1.765 12.577 1.00 20.42 H new ATOM 0 HE2 PHE A 83 -10.797 -1.360 11.271 1.00 52.23 H new ATOM 0 HZ PHE A 83 -12.069 -0.257 13.070 1.00 54.13 H new ATOM 1170 N ASN A 84 -12.560 -0.993 7.074 1.00 33.30 N ATOM 1171 CA ASN A 84 -12.614 -2.447 7.171 1.00 23.42 C ATOM 1172 C ASN A 84 -11.411 -2.986 7.938 1.00 32.14 C ATOM 1173 O ASN A 84 -10.329 -2.401 7.908 1.00 14.45 O ATOM 1174 CB ASN A 84 -12.664 -3.071 5.774 1.00 25.21 C ATOM 1175 CG ASN A 84 -12.218 -4.520 5.772 1.00 25.35 C ATOM 1176 OD1 ASN A 84 -12.817 -5.366 6.437 1.00 34.14 O ATOM 1177 ND2 ASN A 84 -11.163 -4.813 5.021 1.00 30.34 N ATOM 0 H ASN A 84 -11.679 -0.627 6.713 1.00 33.30 H new ATOM 0 HA ASN A 84 -13.520 -2.717 7.715 1.00 23.42 H new ATOM 0 HB2 ASN A 84 -13.681 -3.006 5.386 1.00 25.21 H new ATOM 0 HB3 ASN A 84 -12.028 -2.497 5.100 1.00 25.21 H new ATOM 0 HD21 ASN A 84 -10.818 -5.772 4.979 1.00 30.34 H new ATOM 0 HD22 ASN A 84 -10.698 -4.079 4.486 1.00 30.34 H new ATOM 1184 N GLY A 85 -11.607 -4.108 8.625 1.00 2.32 N ATOM 1185 CA GLY A 85 -10.530 -4.708 9.389 1.00 73.31 C ATOM 1186 C GLY A 85 -10.727 -6.196 9.600 1.00 30.04 C ATOM 1187 O GLY A 85 -11.849 -6.697 9.530 1.00 63.23 O ATOM 0 H GLY A 85 -12.493 -4.612 8.666 1.00 2.32 H new ATOM 0 HA2 GLY A 85 -9.585 -4.540 8.873 1.00 73.31 H new ATOM 0 HA3 GLY A 85 -10.457 -4.214 10.358 1.00 73.31 H new ATOM 1191 N SER A 86 -9.633 -6.906 9.857 1.00 3.43 N ATOM 1192 CA SER A 86 -9.690 -8.347 10.073 1.00 2.15 C ATOM 1193 C SER A 86 -9.589 -8.678 11.559 1.00 12.42 C ATOM 1194 O SER A 86 -8.532 -8.522 12.170 1.00 65.00 O ATOM 1195 CB SER A 86 -8.565 -9.045 9.305 1.00 45.21 C ATOM 1196 OG SER A 86 -8.538 -8.629 7.950 1.00 60.44 O ATOM 0 H SER A 86 -8.697 -6.507 9.921 1.00 3.43 H new ATOM 0 HA SER A 86 -10.650 -8.707 9.703 1.00 2.15 H new ATOM 0 HB2 SER A 86 -7.607 -8.824 9.776 1.00 45.21 H new ATOM 0 HB3 SER A 86 -8.702 -10.125 9.354 1.00 45.21 H new ATOM 0 HG SER A 86 -7.810 -9.088 7.481 1.00 60.44 H new ATOM 1202 N GLY A 87 -10.696 -9.138 12.133 1.00 42.14 N ATOM 1203 CA GLY A 87 -10.712 -9.484 13.542 1.00 35.20 C ATOM 1204 C GLY A 87 -12.110 -9.468 14.128 1.00 32.53 C ATOM 1205 O GLY A 87 -13.108 -9.537 13.410 1.00 10.42 O ATOM 0 H GLY A 87 -11.582 -9.277 11.647 1.00 42.14 H new ATOM 0 HA2 GLY A 87 -10.277 -10.475 13.674 1.00 35.20 H new ATOM 0 HA3 GLY A 87 -10.083 -8.784 14.092 1.00 35.20 H new ATOM 1209 N PRO A 88 -12.195 -9.377 15.463 1.00 20.51 N ATOM 1210 CA PRO A 88 -13.477 -9.351 16.174 1.00 33.43 C ATOM 1211 C PRO A 88 -14.245 -8.055 15.938 1.00 60.42 C ATOM 1212 O PRO A 88 -15.468 -8.062 15.808 1.00 70.43 O ATOM 1213 CB PRO A 88 -13.069 -9.472 17.645 1.00 65.10 C ATOM 1214 CG PRO A 88 -11.681 -8.934 17.698 1.00 32.40 C ATOM 1215 CD PRO A 88 -11.048 -9.292 16.381 1.00 75.24 C ATOM 0 HA PRO A 88 -14.146 -10.142 15.837 1.00 33.43 H new ATOM 0 HB2 PRO A 88 -13.739 -8.903 18.290 1.00 65.10 H new ATOM 0 HB3 PRO A 88 -13.105 -10.508 17.982 1.00 65.10 H new ATOM 0 HG2 PRO A 88 -11.686 -7.854 17.848 1.00 32.40 H new ATOM 0 HG3 PRO A 88 -11.125 -9.368 18.529 1.00 32.40 H new ATOM 0 HD2 PRO A 88 -10.332 -8.535 16.060 1.00 75.24 H new ATOM 0 HD3 PRO A 88 -10.508 -10.237 16.438 1.00 75.24 H new ATOM 1223 N GLY A 89 -13.518 -6.944 15.885 1.00 62.15 N ATOM 1224 CA GLY A 89 -14.148 -5.655 15.665 1.00 41.42 C ATOM 1225 C GLY A 89 -14.588 -4.996 16.957 1.00 10.13 C ATOM 1226 O GLY A 89 -15.526 -4.198 16.967 1.00 31.42 O ATOM 0 H GLY A 89 -12.504 -6.913 15.990 1.00 62.15 H new ATOM 0 HA2 GLY A 89 -13.451 -4.998 15.145 1.00 41.42 H new ATOM 0 HA3 GLY A 89 -15.012 -5.783 15.014 1.00 41.42 H new ATOM 1230 N SER A 90 -13.911 -5.331 18.050 1.00 74.10 N ATOM 1231 CA SER A 90 -14.241 -4.770 19.356 1.00 24.04 C ATOM 1232 C SER A 90 -13.120 -3.864 19.857 1.00 23.33 C ATOM 1233 O SER A 90 -12.345 -4.225 20.743 1.00 71.01 O ATOM 1234 CB SER A 90 -14.496 -5.890 20.366 1.00 22.25 C ATOM 1235 OG SER A 90 -15.883 -6.153 20.497 1.00 3.14 O ATOM 0 H SER A 90 -13.131 -5.988 18.058 1.00 74.10 H new ATOM 0 HA SER A 90 -15.147 -4.173 19.249 1.00 24.04 H new ATOM 0 HB2 SER A 90 -13.979 -6.796 20.048 1.00 22.25 H new ATOM 0 HB3 SER A 90 -14.082 -5.611 21.335 1.00 22.25 H new ATOM 0 HG SER A 90 -16.019 -6.874 21.147 1.00 3.14 H new ATOM 1241 N PRO A 91 -13.032 -2.658 19.276 1.00 52.00 N ATOM 1242 CA PRO A 91 -12.010 -1.675 19.648 1.00 3.10 C ATOM 1243 C PRO A 91 -12.241 -1.096 21.039 1.00 33.24 C ATOM 1244 O PRO A 91 -13.345 -1.170 21.578 1.00 4.44 O ATOM 1245 CB PRO A 91 -12.163 -0.585 18.583 1.00 23.43 C ATOM 1246 CG PRO A 91 -13.576 -0.702 18.123 1.00 61.23 C ATOM 1247 CD PRO A 91 -13.922 -2.162 18.213 1.00 63.22 C ATOM 0 HA PRO A 91 -11.014 -2.117 19.686 1.00 3.10 H new ATOM 0 HB2 PRO A 91 -11.961 0.403 18.996 1.00 23.43 H new ATOM 0 HB3 PRO A 91 -11.465 -0.735 17.760 1.00 23.43 H new ATOM 0 HG2 PRO A 91 -14.240 -0.105 18.747 1.00 61.23 H new ATOM 0 HG3 PRO A 91 -13.685 -0.337 17.102 1.00 61.23 H new ATOM 0 HD2 PRO A 91 -14.972 -2.311 18.465 1.00 63.22 H new ATOM 0 HD3 PRO A 91 -13.745 -2.676 17.268 1.00 63.22 H new ATOM 1255 N SER A 92 -11.191 -0.520 21.618 1.00 33.34 N ATOM 1256 CA SER A 92 -11.279 0.067 22.948 1.00 70.45 C ATOM 1257 C SER A 92 -10.332 1.256 23.082 1.00 4.32 C ATOM 1258 O SER A 92 -9.400 1.411 22.293 1.00 70.42 O ATOM 1259 CB SER A 92 -10.952 -0.980 24.016 1.00 5.43 C ATOM 1260 OG SER A 92 -9.831 -1.760 23.637 1.00 33.22 O ATOM 0 H SER A 92 -10.270 -0.448 21.185 1.00 33.34 H new ATOM 0 HA SER A 92 -12.300 0.418 23.094 1.00 70.45 H new ATOM 0 HB2 SER A 92 -10.750 -0.485 24.966 1.00 5.43 H new ATOM 0 HB3 SER A 92 -11.815 -1.628 24.171 1.00 5.43 H new ATOM 0 HG SER A 92 -9.641 -2.420 24.336 1.00 33.22 H new ATOM 1266 N ASN A 93 -10.580 2.094 24.083 1.00 34.11 N ATOM 1267 CA ASN A 93 -9.750 3.269 24.320 1.00 45.30 C ATOM 1268 C ASN A 93 -9.825 4.234 23.139 1.00 60.54 C ATOM 1269 O ASN A 93 -8.834 4.457 22.444 1.00 42.23 O ATOM 1270 CB ASN A 93 -8.298 2.855 24.563 1.00 11.33 C ATOM 1271 CG ASN A 93 -8.182 1.697 25.535 1.00 24.01 C ATOM 1272 OD1 ASN A 93 -8.704 1.753 26.649 1.00 22.11 O ATOM 1273 ND2 ASN A 93 -7.496 0.640 25.118 1.00 33.42 N ATOM 0 H ASN A 93 -11.349 1.981 24.743 1.00 34.11 H new ATOM 0 HA ASN A 93 -10.128 3.777 25.207 1.00 45.30 H new ATOM 0 HB2 ASN A 93 -7.839 2.577 23.614 1.00 11.33 H new ATOM 0 HB3 ASN A 93 -7.740 3.708 24.950 1.00 11.33 H new ATOM 0 HD21 ASN A 93 -7.385 -0.169 25.729 1.00 33.42 H new ATOM 0 HD22 ASN A 93 -7.080 0.637 24.187 1.00 33.42 H new ATOM 1280 N CYS A 94 -11.006 4.801 22.920 1.00 70.42 N ATOM 1281 CA CYS A 94 -11.211 5.742 21.825 1.00 15.24 C ATOM 1282 C CYS A 94 -10.963 7.175 22.284 1.00 24.42 C ATOM 1283 O CYS A 94 -11.860 7.832 22.813 1.00 43.33 O ATOM 1284 CB CYS A 94 -12.629 5.609 21.269 1.00 41.22 C ATOM 1285 SG CYS A 94 -13.055 6.852 20.027 1.00 63.15 S ATOM 0 H CYS A 94 -11.836 4.625 23.486 1.00 70.42 H new ATOM 0 HA CYS A 94 -10.496 5.505 21.037 1.00 15.24 H new ATOM 0 HB2 CYS A 94 -12.744 4.618 20.830 1.00 41.22 H new ATOM 0 HB3 CYS A 94 -13.339 5.677 22.093 1.00 41.22 H new ATOM 0 HG CYS A 94 -13.614 6.272 19.007 1.00 63.15 H new ATOM 1291 N LYS A 95 -9.741 7.653 22.082 1.00 15.33 N ATOM 1292 CA LYS A 95 -9.373 9.008 22.476 1.00 11.43 C ATOM 1293 C LYS A 95 -9.095 9.874 21.251 1.00 53.32 C ATOM 1294 O LYS A 95 -8.189 9.587 20.467 1.00 72.51 O ATOM 1295 CB LYS A 95 -8.142 8.981 23.385 1.00 45.13 C ATOM 1296 CG LYS A 95 -7.063 8.020 22.919 1.00 22.22 C ATOM 1297 CD LYS A 95 -7.252 6.636 23.517 1.00 72.34 C ATOM 1298 CE LYS A 95 -6.493 6.486 24.827 1.00 43.43 C ATOM 1299 NZ LYS A 95 -5.231 5.717 24.650 1.00 73.52 N ATOM 0 H LYS A 95 -8.987 7.122 21.647 1.00 15.33 H new ATOM 0 HA LYS A 95 -10.211 9.441 23.023 1.00 11.43 H new ATOM 0 HB2 LYS A 95 -7.722 9.985 23.443 1.00 45.13 H new ATOM 0 HB3 LYS A 95 -8.451 8.706 24.393 1.00 45.13 H new ATOM 0 HG2 LYS A 95 -7.080 7.953 21.831 1.00 22.22 H new ATOM 0 HG3 LYS A 95 -6.084 8.408 23.199 1.00 22.22 H new ATOM 0 HD2 LYS A 95 -8.313 6.454 23.687 1.00 72.34 H new ATOM 0 HD3 LYS A 95 -6.909 5.882 22.808 1.00 72.34 H new ATOM 0 HE2 LYS A 95 -6.264 7.473 25.229 1.00 43.43 H new ATOM 0 HE3 LYS A 95 -7.126 5.983 25.558 1.00 43.43 H new ATOM 0 HZ1 LYS A 95 -4.743 5.636 25.565 1.00 73.52 H new ATOM 0 HZ2 LYS A 95 -5.451 4.766 24.290 1.00 73.52 H new ATOM 0 HZ3 LYS A 95 -4.616 6.210 23.972 1.00 73.52 H new ATOM 1313 N LEU A 96 -9.879 10.935 21.091 1.00 75.04 N ATOM 1314 CA LEU A 96 -9.715 11.844 19.963 1.00 3.31 C ATOM 1315 C LEU A 96 -9.575 13.286 20.441 1.00 51.33 C ATOM 1316 O LEU A 96 -10.028 13.636 21.529 1.00 3.32 O ATOM 1317 CB LEU A 96 -10.906 11.725 19.010 1.00 73.30 C ATOM 1318 CG LEU A 96 -12.287 11.934 19.632 1.00 40.12 C ATOM 1319 CD1 LEU A 96 -12.591 13.418 19.768 1.00 63.12 C ATOM 1320 CD2 LEU A 96 -13.357 11.243 18.800 1.00 33.54 C ATOM 0 H LEU A 96 -10.634 11.186 21.729 1.00 75.04 H new ATOM 0 HA LEU A 96 -8.804 11.566 19.434 1.00 3.31 H new ATOM 0 HB2 LEU A 96 -10.777 12.451 18.207 1.00 73.30 H new ATOM 0 HB3 LEU A 96 -10.882 10.736 18.552 1.00 73.30 H new ATOM 0 HG LEU A 96 -12.287 11.491 20.628 1.00 40.12 H new ATOM 0 HD11 LEU A 96 -13.578 13.548 20.212 1.00 63.12 H new ATOM 0 HD12 LEU A 96 -11.841 13.886 20.406 1.00 63.12 H new ATOM 0 HD13 LEU A 96 -12.572 13.885 18.783 1.00 63.12 H new ATOM 0 HD21 LEU A 96 -14.333 11.402 19.258 1.00 33.54 H new ATOM 0 HD22 LEU A 96 -13.357 11.657 17.791 1.00 33.54 H new ATOM 0 HD23 LEU A 96 -13.148 10.174 18.754 1.00 33.54 H new ATOM 1332 N ASN A 97 -8.943 14.118 19.618 1.00 24.34 N ATOM 1333 CA ASN A 97 -8.745 15.522 19.956 1.00 50.31 C ATOM 1334 C ASN A 97 -7.855 15.665 21.187 1.00 5.32 C ATOM 1335 O ASN A 97 -7.854 16.702 21.848 1.00 52.21 O ATOM 1336 CB ASN A 97 -10.092 16.204 20.205 1.00 2.23 C ATOM 1337 CG ASN A 97 -10.389 17.287 19.185 1.00 1.11 C ATOM 1338 OD1 ASN A 97 -11.297 17.150 18.364 1.00 60.21 O ATOM 1339 ND2 ASN A 97 -9.622 18.370 19.232 1.00 3.55 N ATOM 0 H ASN A 97 -8.560 13.844 18.713 1.00 24.34 H new ATOM 0 HA ASN A 97 -8.251 16.006 19.114 1.00 50.31 H new ATOM 0 HB2 ASN A 97 -10.885 15.457 20.179 1.00 2.23 H new ATOM 0 HB3 ASN A 97 -10.097 16.639 21.205 1.00 2.23 H new ATOM 0 HD21 ASN A 97 -9.774 19.131 18.571 1.00 3.55 H new ATOM 0 HD22 ASN A 97 -8.881 18.440 19.930 1.00 3.55 H new ATOM 1346 N GLY A 98 -7.098 14.615 21.487 1.00 35.21 N ATOM 1347 CA GLY A 98 -6.213 14.643 22.638 1.00 41.31 C ATOM 1348 C GLY A 98 -6.871 14.094 23.888 1.00 73.54 C ATOM 1349 O GLY A 98 -6.715 14.649 24.975 1.00 52.34 O ATOM 0 H GLY A 98 -7.081 13.745 20.954 1.00 35.21 H new ATOM 0 HA2 GLY A 98 -5.317 14.063 22.418 1.00 41.31 H new ATOM 0 HA3 GLY A 98 -5.892 15.668 22.821 1.00 41.31 H new ATOM 1353 N GLY A 99 -7.611 13.000 23.735 1.00 62.03 N ATOM 1354 CA GLY A 99 -8.285 12.395 24.869 1.00 51.34 C ATOM 1355 C GLY A 99 -9.628 13.038 25.156 1.00 13.21 C ATOM 1356 O GLY A 99 -9.783 13.749 26.149 1.00 33.43 O ATOM 0 H GLY A 99 -7.756 12.522 22.846 1.00 62.03 H new ATOM 0 HA2 GLY A 99 -8.428 11.332 24.678 1.00 51.34 H new ATOM 0 HA3 GLY A 99 -7.650 12.477 25.751 1.00 51.34 H new ATOM 1360 N SER A 100 -10.599 12.790 24.283 1.00 74.02 N ATOM 1361 CA SER A 100 -11.934 13.355 24.445 1.00 11.22 C ATOM 1362 C SER A 100 -12.974 12.509 23.716 1.00 34.41 C ATOM 1363 O SER A 100 -13.082 12.557 22.491 1.00 41.34 O ATOM 1364 CB SER A 100 -11.970 14.792 23.919 1.00 30.31 C ATOM 1365 OG SER A 100 -13.016 15.530 24.527 1.00 54.10 O ATOM 0 H SER A 100 -10.487 12.202 23.457 1.00 74.02 H new ATOM 0 HA SER A 100 -12.174 13.358 25.508 1.00 11.22 H new ATOM 0 HB2 SER A 100 -11.015 15.279 24.116 1.00 30.31 H new ATOM 0 HB3 SER A 100 -12.107 14.784 22.838 1.00 30.31 H new ATOM 0 HG SER A 100 -13.018 16.445 24.176 1.00 54.10 H new ATOM 1371 N CYS A 101 -13.735 11.733 24.480 1.00 22.11 N ATOM 1372 CA CYS A 101 -14.767 10.875 23.909 1.00 22.13 C ATOM 1373 C CYS A 101 -15.784 10.467 24.970 1.00 51.32 C ATOM 1374 O CYS A 101 -15.463 9.727 25.900 1.00 12.40 O ATOM 1375 CB CYS A 101 -14.135 9.629 23.285 1.00 72.53 C ATOM 1376 SG CYS A 101 -15.247 8.701 22.203 1.00 11.14 S ATOM 0 H CYS A 101 -13.657 11.680 25.496 1.00 22.11 H new ATOM 0 HA CYS A 101 -15.285 11.439 23.133 1.00 22.13 H new ATOM 0 HB2 CYS A 101 -13.256 9.928 22.714 1.00 72.53 H new ATOM 0 HB3 CYS A 101 -13.789 8.972 24.083 1.00 72.53 H new ATOM 0 HG CYS A 101 -14.548 7.976 21.381 1.00 11.14 H new ATOM 1382 N ASP A 102 -17.011 10.955 24.824 1.00 43.24 N ATOM 1383 CA ASP A 102 -18.076 10.643 25.769 1.00 33.11 C ATOM 1384 C ASP A 102 -18.928 9.482 25.264 1.00 43.45 C ATOM 1385 O ASP A 102 -18.866 9.118 24.091 1.00 43.20 O ATOM 1386 CB ASP A 102 -18.954 11.872 26.006 1.00 60.34 C ATOM 1387 CG ASP A 102 -18.162 13.059 26.519 1.00 62.21 C ATOM 1388 OD1 ASP A 102 -17.248 13.516 25.803 1.00 13.41 O ATOM 1389 OD2 ASP A 102 -18.457 13.530 27.638 1.00 43.31 O ATOM 0 H ASP A 102 -17.293 11.569 24.059 1.00 43.24 H new ATOM 0 HA ASP A 102 -17.616 10.349 26.712 1.00 33.11 H new ATOM 0 HB2 ASP A 102 -19.451 12.145 25.075 1.00 60.34 H new ATOM 0 HB3 ASP A 102 -19.736 11.623 26.723 1.00 60.34 H new ATOM 1394 N GLY A 103 -19.724 8.906 26.159 1.00 12.04 N ATOM 1395 CA GLY A 103 -20.577 7.793 25.786 1.00 3.13 C ATOM 1396 C GLY A 103 -19.794 6.633 25.204 1.00 34.44 C ATOM 1397 O GLY A 103 -20.249 5.971 24.271 1.00 21.34 O ATOM 0 H GLY A 103 -19.793 9.190 27.136 1.00 12.04 H new ATOM 0 HA2 GLY A 103 -21.128 7.452 26.662 1.00 3.13 H new ATOM 0 HA3 GLY A 103 -21.314 8.132 25.058 1.00 3.13 H new ATOM 1401 N THR A 104 -18.610 6.384 25.756 1.00 33.01 N ATOM 1402 CA THR A 104 -17.760 5.297 25.285 1.00 70.31 C ATOM 1403 C THR A 104 -16.888 4.753 26.411 1.00 3.21 C ATOM 1404 O THR A 104 -17.002 5.182 27.560 1.00 0.44 O ATOM 1405 CB THR A 104 -16.854 5.754 24.125 1.00 63.15 C ATOM 1406 OG1 THR A 104 -16.014 6.830 24.556 1.00 71.02 O ATOM 1407 CG2 THR A 104 -17.687 6.200 22.932 1.00 71.34 C ATOM 0 H THR A 104 -18.218 6.921 26.530 1.00 33.01 H new ATOM 0 HA THR A 104 -18.424 4.509 24.930 1.00 70.31 H new ATOM 0 HB THR A 104 -16.235 4.910 23.821 1.00 63.15 H new ATOM 0 HG1 THR A 104 -15.791 7.398 23.789 1.00 71.02 H new ATOM 0 HG21 THR A 104 -17.026 6.518 22.126 1.00 71.34 H new ATOM 0 HG22 THR A 104 -18.305 5.370 22.589 1.00 71.34 H new ATOM 0 HG23 THR A 104 -18.327 7.032 23.226 1.00 71.34 H new ATOM 1415 N SER A 105 -16.018 3.806 26.075 1.00 62.22 N ATOM 1416 CA SER A 105 -15.129 3.201 27.060 1.00 1.21 C ATOM 1417 C SER A 105 -14.178 2.210 26.396 1.00 41.13 C ATOM 1418 O SER A 105 -13.098 2.582 25.940 1.00 52.40 O ATOM 1419 CB SER A 105 -15.942 2.496 28.147 1.00 13.15 C ATOM 1420 OG SER A 105 -17.023 1.772 27.585 1.00 35.54 O ATOM 0 H SER A 105 -15.910 3.441 25.129 1.00 62.22 H new ATOM 0 HA SER A 105 -14.538 3.995 27.517 1.00 1.21 H new ATOM 0 HB2 SER A 105 -15.297 1.818 28.706 1.00 13.15 H new ATOM 0 HB3 SER A 105 -16.322 3.231 28.856 1.00 13.15 H new ATOM 0 HG SER A 105 -17.527 1.329 28.299 1.00 35.54 H new TER 1426 SER A 105