USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 Single : A 38 GLN : amide:sc= 0.416 X(o=0.42,f=-0.0065) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.04) USER MOD Single : A 43 SER OG : rot -90:sc= 1.16 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.18 K(o=1.2,f=-9.7!) USER MOD Single : A 53 ASN : amide:sc=-6.95e-05 X(o=-6.9e-05,f=-0.018) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 44:sc= 1.23 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.88) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -122:sc= 0.86 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 23:sc= 1.26 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 90 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.096) USER MOD Single : A 91 GLN : amide:sc= -0.297 K(o=-0.3,f=-0.81) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0.404 USER MOD Single : A 104 THR OG1 : rot 112:sc= 1.24 USER MOD Single : A 107 SER OG : rot 179:sc= 0.0252 USER MOD Single : A 108 GLN : amide:sc= 0.417 K(o=0.42,f=-5!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.244 X(o=0.24,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 38 -0.237 0.334 -0.765 1.00 0.00 N0 ATOM 2 CA GLN A 38 1.217 0.216 -0.757 1.00 0.00 C0 ATOM 3 C GLN A 38 1.876 1.551 -0.434 1.00 0.00 C0 ATOM 4 O GLN A 38 1.731 2.521 -1.177 1.00 0.00 O0 ATOM 5 CB GLN A 38 1.720 -0.303 -2.107 1.00 0.00 C0 ATOM 6 CG GLN A 38 3.233 -0.374 -2.222 1.00 0.00 C0 ATOM 7 CD GLN A 38 3.836 -1.408 -1.290 1.00 0.00 C0 ATOM 8 OE1 GLN A 38 3.520 -2.598 -1.374 1.00 0.00 O0 ATOM 9 NE2 GLN A 38 4.708 -0.959 -0.395 1.00 0.00 N0 ATOM 0 HA GLN A 38 1.489 -0.497 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.307 -1.297 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.337 0.342 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.506 -0.613 -3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.658 0.605 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.939 0.034 -0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.146 -1.607 0.259 1.00 0.00 H new ATOM 18 N ALA A 39 2.601 1.594 0.678 1.00 0.00 N0 ATOM 19 CA ALA A 39 3.330 2.793 1.072 1.00 0.00 C0 ATOM 20 C ALA A 39 4.544 3.018 0.180 1.00 0.00 C0 ATOM 21 O ALA A 39 5.178 2.065 -0.273 1.00 0.00 O0 ATOM 22 CB ALA A 39 3.755 2.700 2.530 1.00 0.00 C0 ATOM 0 H ALA A 39 2.699 0.810 1.324 1.00 0.00 H new ATOM 0 HA ALA A 39 2.662 3.646 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.298 3.603 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.872 2.598 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.400 1.832 2.666 1.00 0.00 H new ATOM 28 N PRO A 40 4.863 4.283 -0.069 1.00 0.00 N0 ATOM 29 CA PRO A 40 6.002 4.635 -0.908 1.00 0.00 C0 ATOM 30 C PRO A 40 7.318 4.388 -0.184 1.00 0.00 C0 ATOM 31 O PRO A 40 7.417 4.581 1.028 1.00 0.00 O0 ATOM 32 CB PRO A 40 5.780 6.126 -1.183 1.00 0.00 C0 ATOM 33 CG PRO A 40 5.036 6.612 0.014 1.00 0.00 C0 ATOM 34 CD PRO A 40 4.114 5.476 0.368 1.00 0.00 C0 ATOM 0 HA PRO A 40 6.066 4.040 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.726 6.654 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.208 6.281 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.713 6.845 0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.479 7.522 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.901 5.448 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.156 5.560 -0.145 1.00 0.00 H new ATOM 42 N LYS A 41 8.329 3.959 -0.933 1.00 0.00 N0 ATOM 43 CA LYS A 41 9.646 3.697 -0.366 1.00 0.00 C0 ATOM 44 C LYS A 41 10.283 4.977 0.161 1.00 0.00 C0 ATOM 45 O LYS A 41 10.297 6.001 -0.523 1.00 0.00 O0 ATOM 46 CB LYS A 41 10.558 3.044 -1.406 1.00 0.00 C0 ATOM 47 CG LYS A 41 11.931 2.649 -0.879 1.00 0.00 C0 ATOM 48 CD LYS A 41 12.728 1.890 -1.931 1.00 0.00 C0 ATOM 49 CE LYS A 41 14.137 1.584 -1.444 1.00 0.00 C0 ATOM 50 NZ LYS A 41 14.130 0.724 -0.229 1.00 0.00 N0 ATOM 0 H LYS A 41 8.260 3.785 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 41 9.518 3.011 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.063 2.155 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.687 3.732 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.479 3.542 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.817 2.030 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.216 0.960 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.777 2.478 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.695 1.087 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.656 2.517 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.095 0.386 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.788 1.275 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.502 -0.090 -0.384 1.00 0.00 H new ATOM 64 N GLY A 42 10.810 4.911 1.378 1.00 0.00 N0 ATOM 65 CA GLY A 42 11.401 6.079 2.021 1.00 0.00 C0 ATOM 66 C GLY A 42 10.531 6.574 3.170 1.00 0.00 C0 ATOM 67 O GLY A 42 10.998 7.303 4.045 1.00 0.00 O0 ATOM 0 H GLY A 42 10.840 4.060 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.394 5.828 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.528 6.876 1.288 1.00 0.00 H new ATOM 71 N SER A 43 9.265 6.173 3.162 1.00 0.00 N0 ATOM 72 CA SER A 43 8.332 6.560 4.213 1.00 0.00 C0 ATOM 73 C SER A 43 8.638 5.833 5.517 1.00 0.00 C0 ATOM 74 O SER A 43 9.344 4.825 5.525 1.00 0.00 O0 ATOM 75 CB SER A 43 6.908 6.266 3.783 1.00 0.00 C0 ATOM 76 OG SER A 43 6.693 4.886 3.670 1.00 0.00 O0 ATOM 0 H SER A 43 8.861 5.579 2.438 1.00 0.00 H new ATOM 0 HA SER A 43 8.444 7.631 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.211 6.688 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.706 6.749 2.827 1.00 0.00 H new ATOM 0 HG SER A 43 6.908 4.595 2.759 1.00 0.00 H new ATOM 82 N ALA A 44 8.105 6.353 6.617 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.355 5.780 7.934 1.00 0.00 C0 ATOM 84 C ALA A 44 7.103 5.818 8.799 1.00 0.00 C0 ATOM 85 O ALA A 44 6.259 6.702 8.649 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.497 6.514 8.622 1.00 0.00 C0 ATOM 0 H ALA A 44 7.496 7.171 6.622 1.00 0.00 H new ATOM 0 HA ALA A 44 8.637 4.736 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.672 6.075 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.401 6.427 8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.237 7.566 8.736 1.00 0.00 H new ATOM 92 N PHE A 45 6.986 4.854 9.706 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.792 4.718 10.531 1.00 0.00 C0 ATOM 94 C PHE A 45 6.127 4.858 12.011 1.00 0.00 C0 ATOM 95 O PHE A 45 7.216 4.490 12.449 1.00 0.00 O0 ATOM 96 CB PHE A 45 5.119 3.367 10.281 1.00 0.00 C0 ATOM 97 CG PHE A 45 4.595 3.200 8.884 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 5.448 2.861 7.844 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 3.250 3.385 8.604 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 4.968 2.707 6.557 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 2.766 3.232 7.319 1.00 0.00 C0 ATOM 102 CZ PHE A 45 3.627 2.892 6.295 1.00 0.00 C0 ATOM 0 H PHE A 45 7.705 4.154 9.888 1.00 0.00 H new ATOM 0 HA PHE A 45 5.105 5.518 10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.835 2.571 10.488 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.295 3.246 10.985 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.500 2.716 8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.572 3.652 9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.643 2.442 5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.715 3.378 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.251 2.771 5.290 1.00 0.00 H new ATOM 112 N VAL A 46 5.182 5.392 12.779 1.00 0.00 N0 ATOM 113 CA VAL A 46 5.344 5.509 14.222 1.00 0.00 C0 ATOM 114 C VAL A 46 4.009 5.353 14.940 1.00 0.00 C0 ATOM 115 O VAL A 46 3.007 5.949 14.546 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.959 6.874 14.583 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 5.054 8.006 14.121 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 6.200 6.955 16.082 1.00 0.00 C0 ATOM 0 H VAL A 46 4.295 5.751 12.424 1.00 0.00 H new ATOM 0 HA VAL A 46 6.011 4.710 14.545 1.00 0.00 H new ATOM 0 HB VAL A 46 6.916 6.976 14.070 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.505 8.963 14.385 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.925 7.951 13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.082 7.916 14.607 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.635 7.923 16.329 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.253 6.837 16.610 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.885 6.162 16.384 1.00 0.00 H new ATOM 128 N ARG A 47 4.003 4.547 15.997 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.797 4.330 16.787 1.00 0.00 C0 ATOM 130 C ARG A 47 2.795 5.197 18.039 1.00 0.00 C0 ATOM 131 O ARG A 47 3.693 5.100 18.875 1.00 0.00 O0 ATOM 132 CB ARG A 47 2.675 2.867 17.187 1.00 0.00 C0 ATOM 133 CG ARG A 47 1.514 2.552 18.116 1.00 0.00 C0 ATOM 134 CD ARG A 47 1.277 1.090 18.224 1.00 0.00 C0 ATOM 135 NE ARG A 47 0.735 0.536 16.994 1.00 0.00 N0 ATOM 136 CZ ARG A 47 0.524 -0.776 16.773 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 0.815 -1.655 17.706 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 0.026 -1.180 15.618 1.00 0.00 N0 ATOM 0 H ARG A 47 4.820 4.033 16.326 1.00 0.00 H new ATOM 0 HA ARG A 47 1.945 4.608 16.166 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.572 2.266 16.284 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.602 2.559 17.671 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.718 2.961 19.105 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.611 3.041 17.749 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.213 0.587 18.467 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.588 0.894 19.045 1.00 0.00 H new ATOM 0 HE ARG A 47 0.498 1.187 16.245 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.201 -1.344 18.598 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.655 -2.648 17.538 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.199 -0.498 14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.134 -2.173 15.451 1.00 0.00 H new ATOM 152 N ALA A 48 1.779 6.045 18.164 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.592 6.845 19.368 1.00 0.00 C0 ATOM 154 C ALA A 48 0.798 6.078 20.420 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.431 6.130 20.442 1.00 0.00 O0 ATOM 156 CB ALA A 48 0.895 8.155 19.032 1.00 0.00 C0 ATOM 0 H ALA A 48 1.072 6.196 17.445 1.00 0.00 H new ATOM 0 HA ALA A 48 2.576 7.066 19.781 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.763 8.741 19.942 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.501 8.718 18.323 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.079 7.946 18.590 1.00 0.00 H new ATOM 162 N TYR A 49 1.509 5.367 21.287 1.00 0.00 N0 ATOM 163 CA TYR A 49 0.871 4.533 22.299 1.00 0.00 C0 ATOM 164 C TYR A 49 0.602 5.323 23.573 1.00 0.00 C0 ATOM 165 O TYR A 49 1.512 5.919 24.150 1.00 0.00 O0 ATOM 166 CB TYR A 49 1.735 3.308 22.608 1.00 0.00 C0 ATOM 167 CG TYR A 49 1.146 2.394 23.658 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 0.174 1.469 23.306 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 1.577 2.480 24.973 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -0.365 0.633 24.265 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 1.039 1.644 25.933 1.00 0.00 C0 ATOM 172 CZ TYR A 49 0.072 0.725 25.582 1.00 0.00 C0 ATOM 173 OH TYR A 49 -0.464 -0.108 26.538 1.00 0.00 O0 ATOM 0 H TYR A 49 2.529 5.351 21.310 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.086 4.197 21.900 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.886 2.741 21.690 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.717 3.643 22.941 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.162 1.402 22.282 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.333 3.201 25.247 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.122 -0.088 23.993 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.375 1.710 26.957 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.051 0.082 27.406 1.00 0.00 H new ATOM 183 N ASN A 50 -0.654 5.324 24.009 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.047 6.046 25.213 1.00 0.00 C0 ATOM 185 C ASN A 50 -1.045 5.130 26.430 1.00 0.00 C0 ATOM 186 O ASN A 50 -1.962 4.332 26.620 1.00 0.00 O0 ATOM 187 CB ASN A 50 -2.410 6.688 25.030 1.00 0.00 C0 ATOM 188 CG ASN A 50 -2.815 7.532 26.207 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -2.225 7.431 27.290 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -3.809 8.361 26.017 1.00 0.00 N0 ATOM 0 H ASN A 50 -1.418 4.832 23.545 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.314 6.834 25.385 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.399 7.305 24.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.156 5.909 24.872 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.128 8.959 26.780 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.265 8.410 25.106 1.00 0.00 H new ATOM 197 N ALA A 51 -0.008 5.251 27.253 1.00 0.00 N0 ATOM 198 CA ALA A 51 0.143 4.398 28.426 1.00 0.00 C0 ATOM 199 C ALA A 51 -0.513 5.024 29.650 1.00 0.00 C0 ATOM 200 O ALA A 51 -0.454 4.471 30.748 1.00 0.00 O0 ATOM 201 CB ALA A 51 1.615 4.123 28.696 1.00 0.00 C0 ATOM 0 H ALA A 51 0.741 5.932 27.129 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.359 3.453 28.221 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.711 3.485 29.575 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.056 3.622 27.834 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.135 5.065 28.873 1.00 0.00 H new ATOM 207 N GLY A 52 -1.139 6.178 29.453 1.00 0.00 N0 ATOM 208 CA GLY A 52 -1.776 6.900 30.549 1.00 0.00 C0 ATOM 209 C GLY A 52 -3.287 6.699 30.534 1.00 0.00 C0 ATOM 210 O GLY A 52 -3.814 5.935 29.727 1.00 0.00 O0 ATOM 0 H GLY A 52 -1.219 6.635 28.544 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.370 6.556 31.500 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.547 7.963 30.470 1.00 0.00 H new ATOM 214 N ASN A 53 -3.979 7.392 31.433 1.00 0.00 N0 ATOM 215 CA ASN A 53 -5.423 7.247 31.565 1.00 0.00 C0 ATOM 216 C ASN A 53 -6.146 8.511 31.120 1.00 0.00 C0 ATOM 217 O ASN A 53 -7.234 8.820 31.606 1.00 0.00 O0 ATOM 218 CB ASN A 53 -5.797 6.893 32.993 1.00 0.00 C0 ATOM 219 CG ASN A 53 -5.324 5.522 33.392 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -5.677 4.522 32.755 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -4.534 5.456 34.432 1.00 0.00 N0 ATOM 0 H ASN A 53 -3.562 8.060 32.081 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.738 6.433 30.913 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.370 7.632 33.670 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.880 6.947 33.105 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.182 4.552 34.749 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.270 6.308 34.926 1.00 0.00 H new ATOM 228 N SER A 54 -5.535 9.240 30.192 1.00 0.00 N0 ATOM 229 CA SER A 54 -6.143 10.446 29.641 1.00 0.00 C0 ATOM 230 C SER A 54 -5.686 10.687 28.208 1.00 0.00 C0 ATOM 231 O SER A 54 -4.632 10.208 27.793 1.00 0.00 O0 ATOM 232 CB SER A 54 -5.797 11.646 30.501 1.00 0.00 C0 ATOM 233 OG SER A 54 -4.427 11.935 30.431 1.00 0.00 O0 ATOM 0 H SER A 54 -4.618 9.016 29.805 1.00 0.00 H new ATOM 0 HA SER A 54 -7.224 10.306 29.636 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.372 12.512 30.172 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.079 11.450 31.536 1.00 0.00 H new ATOM 0 HG SER A 54 -4.228 12.713 30.992 1.00 0.00 H new ATOM 239 N GLU A 55 -6.487 11.435 27.455 1.00 0.00 N0 ATOM 240 CA GLU A 55 -6.161 11.751 26.071 1.00 0.00 C0 ATOM 241 C GLU A 55 -4.867 12.551 25.978 1.00 0.00 C0 ATOM 242 O GLU A 55 -4.651 13.491 26.741 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.303 12.534 25.419 1.00 0.00 C0 ATOM 244 CG GLU A 55 -8.588 11.739 25.238 1.00 0.00 C0 ATOM 245 CD GLU A 55 -9.441 11.717 26.476 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -8.977 12.150 27.503 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -10.560 11.268 26.394 1.00 0.00 O0 ATOM 0 H GLU A 55 -7.367 11.833 27.782 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.022 10.810 25.539 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.517 13.414 26.026 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.972 12.892 24.444 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.161 12.167 24.415 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.340 10.716 24.956 1.00 0.00 H new ATOM 254 N LEU A 56 -4.009 12.170 25.037 1.00 0.00 N0 ATOM 255 CA LEU A 56 -2.727 12.839 24.854 1.00 0.00 C0 ATOM 256 C LEU A 56 -2.664 13.551 23.510 1.00 0.00 C0 ATOM 257 O LEU A 56 -3.154 13.042 22.502 1.00 0.00 O0 ATOM 258 CB LEU A 56 -1.581 11.825 24.957 1.00 0.00 C0 ATOM 259 CG LEU A 56 -1.486 11.058 26.282 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -0.330 10.069 26.216 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -1.298 12.044 27.426 1.00 0.00 C0 ATOM 0 H LEU A 56 -4.179 11.401 24.389 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.623 13.584 25.643 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.686 11.103 24.147 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.640 12.351 24.795 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.406 10.500 26.456 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.263 9.524 27.158 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.499 9.365 25.401 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.601 10.609 26.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.230 11.500 28.368 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.382 12.613 27.269 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.147 12.726 27.461 1.00 0.00 H new ATOM 273 N ASP A 57 -2.057 14.734 23.500 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.941 15.526 22.281 1.00 0.00 C0 ATOM 275 C ASP A 57 -0.704 15.132 21.484 1.00 0.00 C0 ATOM 276 O ASP A 57 0.421 15.451 21.870 1.00 0.00 O0 ATOM 277 CB ASP A 57 -1.888 17.019 22.614 1.00 0.00 C0 ATOM 278 CG ASP A 57 -1.815 17.899 21.374 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -1.577 17.377 20.311 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -1.999 19.087 21.502 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.638 15.165 24.324 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.822 15.326 21.672 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.771 17.289 23.194 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.021 17.215 23.244 1.00 0.00 H new ATOM 285 N VAL A 58 -0.919 14.436 20.373 1.00 0.00 N0 ATOM 286 CA VAL A 58 0.182 13.904 19.578 1.00 0.00 C0 ATOM 287 C VAL A 58 0.582 14.875 18.474 1.00 0.00 C0 ATOM 288 O VAL A 58 -0.265 15.364 17.726 1.00 0.00 O0 ATOM 289 CB VAL A 58 -0.214 12.554 18.952 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 0.919 12.012 18.094 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 -0.584 11.565 20.047 1.00 0.00 C0 ATOM 0 H VAL A 58 -1.846 14.227 20.002 1.00 0.00 H new ATOM 0 HA VAL A 58 1.033 13.762 20.244 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.082 12.702 18.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.622 11.058 17.660 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.142 12.720 17.296 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.806 11.869 18.711 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.863 10.612 19.597 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.270 11.418 20.708 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.424 11.955 20.621 1.00 0.00 H new ATOM 301 N SER A 59 1.878 15.148 18.375 1.00 0.00 N0 ATOM 302 CA SER A 59 2.407 15.972 17.294 1.00 0.00 C0 ATOM 303 C SER A 59 3.888 15.698 17.067 1.00 0.00 C0 ATOM 304 O SER A 59 4.713 15.919 17.952 1.00 0.00 O0 ATOM 305 CB SER A 59 2.198 17.441 17.607 1.00 0.00 C0 ATOM 306 OG SER A 59 2.731 18.251 16.595 1.00 0.00 O0 ATOM 0 H SER A 59 2.583 14.810 19.031 1.00 0.00 H new ATOM 0 HA SER A 59 1.868 15.716 16.382 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.133 17.645 17.718 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.670 17.684 18.559 1.00 0.00 H new ATOM 0 HG SER A 59 2.488 17.884 15.720 1.00 0.00 H new ATOM 312 N VAL A 60 4.219 15.215 15.874 1.00 0.00 N0 ATOM 313 CA VAL A 60 5.592 14.846 15.550 1.00 0.00 C0 ATOM 314 C VAL A 60 6.237 15.875 14.631 1.00 0.00 C0 ATOM 315 O VAL A 60 5.765 16.112 13.521 1.00 0.00 O0 ATOM 316 CB VAL A 60 5.627 13.463 14.873 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 7.050 13.104 14.469 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 5.052 12.412 15.810 1.00 0.00 C0 ATOM 0 H VAL A 60 3.554 15.070 15.114 1.00 0.00 H new ATOM 0 HA VAL A 60 6.155 14.811 16.483 1.00 0.00 H new ATOM 0 HB VAL A 60 5.017 13.496 13.970 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.057 12.124 13.992 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.429 13.850 13.770 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.685 13.081 15.355 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.080 11.437 15.324 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.643 12.378 16.725 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.020 12.667 16.053 1.00 0.00 H new ATOM 328 N GLY A 61 7.321 16.484 15.103 1.00 0.00 N0 ATOM 329 CA GLY A 61 8.043 17.476 14.317 1.00 0.00 C0 ATOM 330 C GLY A 61 7.278 18.792 14.253 1.00 0.00 C0 ATOM 331 O GLY A 61 7.115 19.477 15.263 1.00 0.00 O0 ATOM 0 H GLY A 61 7.718 16.307 16.026 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.027 17.645 14.755 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.204 17.097 13.308 1.00 0.00 H new ATOM 335 N SER A 62 6.810 19.140 13.059 1.00 0.00 N0 ATOM 336 CA SER A 62 6.016 20.348 12.870 1.00 0.00 C0 ATOM 337 C SER A 62 4.593 20.011 12.442 1.00 0.00 C0 ATOM 338 O SER A 62 3.817 20.896 12.080 1.00 0.00 O0 ATOM 339 CB SER A 62 6.666 21.243 11.834 1.00 0.00 C0 ATOM 340 OG SER A 62 6.742 20.601 10.590 1.00 0.00 O0 ATOM 0 H SER A 62 6.967 18.602 12.207 1.00 0.00 H new ATOM 0 HA SER A 62 5.971 20.873 13.824 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.095 22.166 11.736 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.667 21.521 12.165 1.00 0.00 H new ATOM 0 HG SER A 62 7.163 21.199 9.938 1.00 0.00 H new ATOM 346 N THR A 63 4.256 18.727 12.486 1.00 0.00 N0 ATOM 347 CA THR A 63 2.942 18.264 12.057 1.00 0.00 C0 ATOM 348 C THR A 63 2.051 17.949 13.252 1.00 0.00 C0 ATOM 349 O THR A 63 2.432 17.181 14.136 1.00 0.00 O0 ATOM 350 CB THR A 63 3.058 17.020 11.157 1.00 0.00 C0 ATOM 351 OG1 THR A 63 3.804 17.348 9.978 1.00 0.00 O0 ATOM 352 CG2 THR A 63 1.678 16.521 10.757 1.00 0.00 C0 ATOM 0 H THR A 63 4.876 17.987 12.815 1.00 0.00 H new ATOM 0 HA THR A 63 2.488 19.072 11.484 1.00 0.00 H new ATOM 0 HB THR A 63 3.570 16.234 11.712 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.879 16.555 9.407 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.779 15.641 10.121 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.112 16.259 11.651 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.152 17.304 10.211 1.00 0.00 H new ATOM 360 N SER A 64 0.865 18.547 13.274 1.00 0.00 N0 ATOM 361 CA SER A 64 -0.130 18.237 14.293 1.00 0.00 C0 ATOM 362 C SER A 64 -0.898 16.968 13.944 1.00 0.00 C0 ATOM 363 O SER A 64 -1.469 16.854 12.860 1.00 0.00 O0 ATOM 364 CB SER A 64 -1.097 19.396 14.449 1.00 0.00 C0 ATOM 365 OG SER A 64 -2.139 19.065 15.325 1.00 0.00 O0 ATOM 0 H SER A 64 0.569 19.250 12.597 1.00 0.00 H new ATOM 0 HA SER A 64 0.393 18.073 15.235 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.565 20.270 14.824 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.507 19.666 13.476 1.00 0.00 H new ATOM 0 HG SER A 64 -2.749 19.827 15.411 1.00 0.00 H new ATOM 371 N LEU A 65 -0.905 16.014 14.870 1.00 0.00 N0 ATOM 372 CA LEU A 65 -1.522 14.716 14.626 1.00 0.00 C0 ATOM 373 C LEU A 65 -2.744 14.511 15.512 1.00 0.00 C0 ATOM 374 O LEU A 65 -3.060 15.352 16.354 1.00 0.00 O0 ATOM 375 CB LEU A 65 -0.507 13.592 14.877 1.00 0.00 C0 ATOM 376 CG LEU A 65 0.768 13.647 14.027 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 1.725 12.550 14.476 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 0.406 13.488 12.557 1.00 0.00 C0 ATOM 0 H LEU A 65 -0.490 16.116 15.796 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.844 14.689 13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.222 13.613 15.929 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.000 12.636 14.699 1.00 0.00 H new ATOM 0 HG LEU A 65 1.262 14.610 14.158 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.632 12.588 13.872 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.981 12.698 15.525 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.248 11.578 14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.312 13.527 11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.090 12.529 12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.264 14.294 12.258 1.00 0.00 H new ATOM 390 N ASN A 66 -3.427 13.388 15.318 1.00 0.00 N0 ATOM 391 CA ASN A 66 -4.667 13.113 16.035 1.00 0.00 C0 ATOM 392 C ASN A 66 -4.390 12.702 17.475 1.00 0.00 C0 ATOM 393 O ASN A 66 -3.375 12.070 17.766 1.00 0.00 O0 ATOM 394 CB ASN A 66 -5.471 12.043 15.319 1.00 0.00 C0 ATOM 395 CG ASN A 66 -5.983 12.502 13.982 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -6.309 13.681 13.800 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -6.059 11.594 13.043 1.00 0.00 N0 ATOM 0 H ASN A 66 -3.143 12.653 14.670 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.254 14.031 16.056 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.850 11.158 15.182 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.313 11.747 15.944 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.398 11.847 12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.779 10.633 13.239 1.00 0.00 H new ATOM 404 N ASP A 67 -5.300 13.063 18.373 1.00 0.00 N0 ATOM 405 CA ASP A 67 -5.180 12.692 19.778 1.00 0.00 C0 ATOM 406 C ASP A 67 -5.416 11.200 19.976 1.00 0.00 C0 ATOM 407 O ASP A 67 -6.099 10.559 19.178 1.00 0.00 O0 ATOM 408 CB ASP A 67 -6.171 13.488 20.630 1.00 0.00 C0 ATOM 409 CG ASP A 67 -5.842 14.974 20.690 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -4.776 15.343 20.261 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -6.662 15.724 21.163 1.00 0.00 O0 ATOM 0 H ASP A 67 -6.130 13.613 18.152 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.164 12.927 20.096 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.175 13.359 20.226 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.180 13.082 21.642 1.00 0.00 H new ATOM 416 N VAL A 68 -4.845 10.651 21.043 1.00 0.00 N0 ATOM 417 CA VAL A 68 -4.964 9.227 21.329 1.00 0.00 C0 ATOM 418 C VAL A 68 -5.735 8.989 22.622 1.00 0.00 C0 ATOM 419 O VAL A 68 -5.479 9.637 23.636 1.00 0.00 O0 ATOM 420 CB VAL A 68 -3.569 8.585 21.441 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -3.687 7.114 21.811 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -2.815 8.753 20.130 1.00 0.00 C0 ATOM 0 H VAL A 68 -4.294 11.172 21.725 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.511 8.768 20.506 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.011 9.087 22.231 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.691 6.677 21.886 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.198 7.020 22.769 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.257 6.590 21.043 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.829 8.297 20.216 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.370 8.269 19.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.705 9.814 19.907 1.00 0.00 H new ATOM 432 N ALA A 69 -6.678 8.055 22.578 1.00 0.00 N0 ATOM 433 CA ALA A 69 -7.551 7.793 23.717 1.00 0.00 C0 ATOM 434 C ALA A 69 -6.793 7.110 24.847 1.00 0.00 C0 ATOM 435 O ALA A 69 -5.738 6.512 24.627 1.00 0.00 O0 ATOM 436 CB ALA A 69 -8.740 6.945 23.288 1.00 0.00 C0 ATOM 0 H ALA A 69 -6.858 7.466 21.765 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.916 8.750 24.088 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.383 6.758 24.148 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.306 7.473 22.521 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.384 5.996 22.887 1.00 0.00 H new ATOM 442 N PRO A 70 -7.334 7.201 26.056 1.00 0.00 N0 ATOM 443 CA PRO A 70 -6.721 6.573 27.220 1.00 0.00 C0 ATOM 444 C PRO A 70 -6.462 5.092 26.975 1.00 0.00 C0 ATOM 445 O PRO A 70 -7.329 4.374 26.478 1.00 0.00 O0 ATOM 446 CB PRO A 70 -7.765 6.789 28.320 1.00 0.00 C0 ATOM 447 CG PRO A 70 -8.463 8.044 27.919 1.00 0.00 C0 ATOM 448 CD PRO A 70 -8.559 7.957 26.419 1.00 0.00 C0 ATOM 0 HA PRO A 70 -5.747 6.992 27.472 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.458 5.950 28.382 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.297 6.889 29.299 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.450 8.113 28.377 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.904 8.926 28.231 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.464 7.439 26.101 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.577 8.944 25.957 1.00 0.00 H new ATOM 456 N LEU A 71 -5.263 4.640 27.326 1.00 0.00 N0 ATOM 457 CA LEU A 71 -4.894 3.239 27.161 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.159 2.763 25.739 1.00 0.00 C0 ATOM 459 O LEU A 71 -5.526 1.609 25.518 1.00 0.00 O0 ATOM 460 CB LEU A 71 -5.672 2.366 28.153 1.00 0.00 C0 ATOM 461 CG LEU A 71 -5.500 2.725 29.634 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -6.373 1.812 30.484 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -4.035 2.597 30.021 1.00 0.00 C0 ATOM 0 H LEU A 71 -4.529 5.224 27.727 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.826 3.149 27.360 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.732 2.423 27.905 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.367 1.329 28.012 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.812 3.755 29.806 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.250 2.068 31.536 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.417 1.939 30.199 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.077 0.775 30.326 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.913 2.852 31.074 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.703 1.572 29.855 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.437 3.275 29.412 1.00 0.00 H new ATOM 475 N GLY A 72 -4.972 3.660 24.776 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.144 3.319 23.368 1.00 0.00 C0 ATOM 477 C GLY A 72 -3.876 3.603 22.574 1.00 0.00 C0 ATOM 478 O GLY A 72 -2.797 3.764 23.145 1.00 0.00 O0 ATOM 0 H GLY A 72 -4.701 4.629 24.945 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.406 2.265 23.276 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.973 3.891 22.951 1.00 0.00 H new ATOM 482 N SER A 73 -4.012 3.664 21.254 1.00 0.00 N0 ATOM 483 CA SER A 73 -2.885 3.973 20.380 1.00 0.00 C0 ATOM 484 C SER A 73 -3.362 4.402 18.998 1.00 0.00 C0 ATOM 485 O SER A 73 -4.490 4.111 18.602 1.00 0.00 O0 ATOM 486 CB SER A 73 -1.974 2.767 20.259 1.00 0.00 C0 ATOM 487 OG SER A 73 -2.606 1.728 19.564 1.00 0.00 O0 ATOM 0 H SER A 73 -4.892 3.503 20.765 1.00 0.00 H new ATOM 0 HA SER A 73 -2.332 4.801 20.823 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.057 3.050 19.742 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.687 2.423 21.252 1.00 0.00 H new ATOM 0 HG SER A 73 -1.998 0.962 19.497 1.00 0.00 H new ATOM 493 N SER A 74 -2.494 5.096 18.269 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.794 5.499 16.900 1.00 0.00 C0 ATOM 495 C SER A 74 -1.540 5.487 16.036 1.00 0.00 C0 ATOM 496 O SER A 74 -0.514 6.058 16.405 1.00 0.00 O0 ATOM 497 CB SER A 74 -3.416 6.882 16.888 1.00 0.00 C0 ATOM 498 OG SER A 74 -3.707 7.290 15.579 1.00 0.00 O0 ATOM 0 H SER A 74 -1.577 5.391 18.604 1.00 0.00 H new ATOM 0 HA SER A 74 -3.502 4.781 16.484 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.329 6.879 17.483 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.735 7.595 17.352 1.00 0.00 H new ATOM 0 HG SER A 74 -3.246 8.134 15.389 1.00 0.00 H new ATOM 504 N ASP A 75 -1.629 4.834 14.882 1.00 0.00 N0 ATOM 505 CA ASP A 75 -0.497 4.734 13.969 1.00 0.00 C0 ATOM 506 C ASP A 75 -0.444 5.927 13.025 1.00 0.00 C0 ATOM 507 O ASP A 75 -1.460 6.326 12.455 1.00 0.00 O0 ATOM 508 CB ASP A 75 -0.574 3.437 13.159 1.00 0.00 C0 ATOM 509 CG ASP A 75 -0.320 2.195 14.003 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 0.228 2.328 15.071 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -0.677 1.126 13.571 1.00 0.00 O0 ATOM 0 H ASP A 75 -2.475 4.366 14.557 1.00 0.00 H new ATOM 0 HA ASP A 75 0.413 4.728 14.570 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.558 3.361 12.697 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.156 3.476 12.350 1.00 0.00 H new ATOM 516 N PHE A 76 0.747 6.494 12.861 1.00 0.00 N0 ATOM 517 CA PHE A 76 0.952 7.589 11.922 1.00 0.00 C0 ATOM 518 C PHE A 76 2.121 7.303 10.987 1.00 0.00 C0 ATOM 519 O PHE A 76 2.967 6.459 11.278 1.00 0.00 O0 ATOM 520 CB PHE A 76 1.201 8.898 12.673 1.00 0.00 C0 ATOM 521 CG PHE A 76 0.079 9.294 13.590 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 0.161 9.057 14.954 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 -1.062 9.904 13.091 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 -0.870 9.420 15.798 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 -2.094 10.270 13.933 1.00 0.00 C0 ATOM 526 CZ PHE A 76 -1.998 10.027 15.287 1.00 0.00 C0 ATOM 0 H PHE A 76 1.586 6.212 13.368 1.00 0.00 H new ATOM 0 HA PHE A 76 0.046 7.685 11.323 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.117 8.803 13.255 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.365 9.696 11.949 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.042 8.583 15.361 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.145 10.095 12.031 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.793 9.229 16.858 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.976 10.746 13.531 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.805 10.312 15.946 1.00 0.00 H new ATOM 536 N LYS A 77 2.162 8.012 9.865 1.00 0.00 N0 ATOM 537 CA LYS A 77 3.192 7.792 8.856 1.00 0.00 C0 ATOM 538 C LYS A 77 3.655 9.107 8.245 1.00 0.00 C0 ATOM 539 O LYS A 77 2.877 10.053 8.118 1.00 0.00 O0 ATOM 540 CB LYS A 77 2.676 6.856 7.762 1.00 0.00 C0 ATOM 541 CG LYS A 77 1.526 7.423 6.939 1.00 0.00 C0 ATOM 542 CD LYS A 77 1.031 6.414 5.913 1.00 0.00 C0 ATOM 543 CE LYS A 77 -0.089 6.993 5.063 1.00 0.00 C0 ATOM 544 NZ LYS A 77 -0.597 6.012 4.067 1.00 0.00 N0 ATOM 0 H LYS A 77 1.493 8.745 9.631 1.00 0.00 H new ATOM 0 HA LYS A 77 4.047 7.327 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.500 6.611 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.352 5.923 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.707 7.704 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.852 8.331 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.858 6.110 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.677 5.518 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.907 7.310 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.271 7.882 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.359 6.447 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.177 5.728 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.965 5.174 4.561 1.00 0.00 H new ATOM 558 N PHE A 78 4.928 9.162 7.868 1.00 0.00 N0 ATOM 559 CA PHE A 78 5.475 10.329 7.185 1.00 0.00 C0 ATOM 560 C PHE A 78 6.277 9.922 5.956 1.00 0.00 C0 ATOM 561 O PHE A 78 7.012 8.934 5.982 1.00 0.00 O0 ATOM 562 CB PHE A 78 6.362 11.137 8.134 1.00 0.00 C0 ATOM 563 CG PHE A 78 5.618 11.741 9.292 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 5.500 11.056 10.492 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 5.034 12.993 9.182 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 4.816 11.611 11.558 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 4.352 13.551 10.246 1.00 0.00 C0 ATOM 568 CZ PHE A 78 4.242 12.858 11.434 1.00 0.00 C0 ATOM 0 H PHE A 78 5.601 8.411 8.024 1.00 0.00 H new ATOM 0 HA PHE A 78 4.637 10.947 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.151 10.490 8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.849 11.934 7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.947 10.078 10.595 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.113 13.539 8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.732 11.068 12.487 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.905 14.529 10.148 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.707 13.292 12.266 1.00 0.00 H new ATOM 578 N LEU A 79 6.133 10.688 4.881 1.00 0.00 N0 ATOM 579 CA LEU A 79 6.856 10.418 3.644 1.00 0.00 C0 ATOM 580 C LEU A 79 8.335 10.748 3.788 1.00 0.00 C0 ATOM 581 O LEU A 79 9.197 9.949 3.420 1.00 0.00 O0 ATOM 582 CB LEU A 79 6.253 11.231 2.490 1.00 0.00 C0 ATOM 583 CG LEU A 79 6.965 11.093 1.138 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 6.951 9.634 0.702 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 6.277 11.978 0.109 1.00 0.00 C0 ATOM 0 H LEU A 79 5.521 11.503 4.841 1.00 0.00 H new ATOM 0 HA LEU A 79 6.761 9.354 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.212 10.933 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.251 12.284 2.773 1.00 0.00 H new ATOM 0 HG LEU A 79 8.003 11.414 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.457 9.536 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.466 9.027 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.920 9.293 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.783 11.880 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.236 11.672 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.319 13.017 0.437 1.00 0.00 H new ATOM 597 N PRO A 80 8.624 11.929 4.324 1.00 0.00 N0 ATOM 598 CA PRO A 80 10.001 12.361 4.528 1.00 0.00 C0 ATOM 599 C PRO A 80 10.568 11.804 5.827 1.00 0.00 C0 ATOM 600 O PRO A 80 10.077 12.114 6.913 1.00 0.00 O0 ATOM 601 CB PRO A 80 9.879 13.888 4.573 1.00 0.00 C0 ATOM 602 CG PRO A 80 8.584 14.130 5.270 1.00 0.00 C0 ATOM 603 CD PRO A 80 7.675 13.045 4.760 1.00 0.00 C0 ATOM 0 HA PRO A 80 10.682 12.012 3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.712 14.339 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.879 14.317 3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.699 14.075 6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.189 15.120 5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.990 12.703 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.065 13.396 3.928 1.00 0.00 H new ATOM 611 N PRO A 81 11.604 10.982 5.710 1.00 0.00 N0 ATOM 612 CA PRO A 81 12.289 10.440 6.878 1.00 0.00 C0 ATOM 613 C PRO A 81 13.208 11.480 7.508 1.00 0.00 C0 ATOM 614 O PRO A 81 13.525 12.497 6.892 1.00 0.00 O0 ATOM 615 CB PRO A 81 13.081 9.264 6.299 1.00 0.00 C0 ATOM 616 CG PRO A 81 13.436 9.705 4.920 1.00 0.00 C0 ATOM 617 CD PRO A 81 12.226 10.467 4.449 1.00 0.00 C0 ATOM 0 HA PRO A 81 11.610 10.141 7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.971 9.054 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.485 8.351 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.326 10.334 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.647 8.854 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.504 11.282 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.539 9.824 3.900 1.00 0.00 H new ATOM 625 N GLY A 82 13.631 11.219 8.741 1.00 0.00 N0 ATOM 626 CA GLY A 82 14.556 12.104 9.436 1.00 0.00 C0 ATOM 627 C GLY A 82 14.238 12.176 10.924 1.00 0.00 C0 ATOM 628 O GLY A 82 13.359 11.467 11.415 1.00 0.00 O0 ATOM 0 H GLY A 82 13.347 10.400 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.577 11.749 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.504 13.102 9.002 1.00 0.00 H new ATOM 632 N SER A 83 14.957 13.035 11.637 1.00 0.00 N0 ATOM 633 CA SER A 83 14.748 13.206 13.070 1.00 0.00 C0 ATOM 634 C SER A 83 13.616 14.187 13.348 1.00 0.00 C0 ATOM 635 O SER A 83 13.622 15.313 12.851 1.00 0.00 O0 ATOM 636 CB SER A 83 16.024 13.691 13.730 1.00 0.00 C0 ATOM 637 OG SER A 83 15.808 13.986 15.083 1.00 0.00 O0 ATOM 0 H SER A 83 15.691 13.625 11.245 1.00 0.00 H new ATOM 0 HA SER A 83 14.471 12.238 13.487 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.797 12.928 13.639 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.390 14.579 13.214 1.00 0.00 H new ATOM 0 HG SER A 83 16.645 14.295 15.488 1.00 0.00 H new ATOM 643 N TYR A 84 12.645 13.752 14.145 1.00 0.00 N0 ATOM 644 CA TYR A 84 11.516 14.600 14.510 1.00 0.00 C0 ATOM 645 C TYR A 84 11.292 14.600 16.016 1.00 0.00 C0 ATOM 646 O TYR A 84 11.689 13.667 16.713 1.00 0.00 O0 ATOM 647 CB TYR A 84 10.249 14.143 13.785 1.00 0.00 C0 ATOM 648 CG TYR A 84 10.346 14.217 12.278 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 10.631 13.075 11.543 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 10.151 15.427 11.629 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 10.721 13.144 10.166 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 10.240 15.496 10.252 1.00 0.00 C0 ATOM 653 CZ TYR A 84 10.524 14.360 9.521 1.00 0.00 C0 ATOM 654 OH TYR A 84 10.613 14.428 8.151 1.00 0.00 O0 ATOM 0 H TYR A 84 12.618 12.816 14.551 1.00 0.00 H new ATOM 0 HA TYR A 84 11.749 15.620 14.203 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.026 13.116 14.075 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.411 14.757 14.116 1.00 0.00 H new ATOM 0 HD1 TYR A 84 10.782 12.132 12.047 1.00 0.00 H new ATOM 0 HD2 TYR A 84 9.929 16.316 12.201 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.944 12.256 9.592 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.087 16.439 9.748 1.00 0.00 H new ATOM 0 HH TYR A 84 10.453 13.540 7.768 1.00 0.00 H new ATOM 664 N THR A 85 10.653 15.653 16.513 1.00 0.00 N0 ATOM 665 CA THR A 85 10.274 15.726 17.920 1.00 0.00 C0 ATOM 666 C THR A 85 8.888 15.135 18.147 1.00 0.00 C0 ATOM 667 O THR A 85 7.875 15.790 17.902 1.00 0.00 O0 ATOM 668 CB THR A 85 10.306 17.179 18.429 1.00 0.00 C0 ATOM 669 OG1 THR A 85 11.632 17.707 18.290 1.00 0.00 O0 ATOM 670 CG2 THR A 85 9.888 17.242 19.890 1.00 0.00 C0 ATOM 0 H THR A 85 10.386 16.469 15.962 1.00 0.00 H new ATOM 0 HA THR A 85 11.002 15.141 18.481 1.00 0.00 H new ATOM 0 HB THR A 85 9.608 17.771 17.837 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.651 18.632 18.613 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.917 18.276 20.232 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.875 16.853 19.996 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.572 16.642 20.490 1.00 0.00 H new ATOM 678 N ALA A 86 8.850 13.893 18.618 1.00 0.00 N0 ATOM 679 CA ALA A 86 7.593 13.173 18.781 1.00 0.00 C0 ATOM 680 C ALA A 86 6.939 13.505 20.116 1.00 0.00 C0 ATOM 681 O ALA A 86 7.116 12.787 21.101 1.00 0.00 O0 ATOM 682 CB ALA A 86 7.821 11.674 18.662 1.00 0.00 C0 ATOM 0 H ALA A 86 9.677 13.364 18.894 1.00 0.00 H new ATOM 0 HA ALA A 86 6.918 13.490 17.986 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.873 11.151 18.786 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.236 11.446 17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.518 11.350 19.434 1.00 0.00 H new ATOM 688 N GLN A 87 6.182 14.596 20.144 1.00 0.00 N0 ATOM 689 CA GLN A 87 5.441 14.986 21.338 1.00 0.00 C0 ATOM 690 C GLN A 87 4.147 14.193 21.466 1.00 0.00 C0 ATOM 691 O GLN A 87 3.320 14.186 20.555 1.00 0.00 O0 ATOM 692 CB GLN A 87 5.136 16.485 21.314 1.00 0.00 C0 ATOM 693 CG GLN A 87 4.418 16.995 22.552 1.00 0.00 C0 ATOM 694 CD GLN A 87 4.211 18.497 22.525 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 4.534 19.165 21.538 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 3.670 19.038 23.611 1.00 0.00 N0 ATOM 0 H GLN A 87 6.065 15.227 19.352 1.00 0.00 H new ATOM 0 HA GLN A 87 6.065 14.765 22.204 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.071 17.033 21.199 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.527 16.706 20.438 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.451 16.500 22.637 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.993 16.726 23.438 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.418 18.447 24.404 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.506 20.044 23.652 1.00 0.00 H new ATOM 705 N VAL A 88 3.977 13.527 22.603 1.00 0.00 N0 ATOM 706 CA VAL A 88 2.746 12.799 22.888 1.00 0.00 C0 ATOM 707 C VAL A 88 2.170 13.200 24.240 1.00 0.00 C0 ATOM 708 O VAL A 88 2.416 12.542 25.251 1.00 0.00 O0 ATOM 709 CB VAL A 88 3.008 11.281 22.876 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 1.714 10.517 23.117 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 3.635 10.875 21.551 1.00 0.00 C0 ATOM 0 H VAL A 88 4.677 13.476 23.343 1.00 0.00 H new ATOM 0 HA VAL A 88 2.024 13.052 22.111 1.00 0.00 H new ATOM 0 HB VAL A 88 3.701 11.034 23.680 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.916 9.446 23.105 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.301 10.798 24.086 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.997 10.759 22.333 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.818 9.800 21.549 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.958 11.130 20.735 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.579 11.404 21.418 1.00 0.00 H new ATOM 721 N GLY A 89 1.403 14.285 24.252 1.00 0.00 N0 ATOM 722 CA GLY A 89 0.770 14.764 25.475 1.00 0.00 C0 ATOM 723 C GLY A 89 1.806 15.290 26.461 1.00 0.00 C0 ATOM 724 O GLY A 89 2.408 16.341 26.242 1.00 0.00 O0 ATOM 0 H GLY A 89 1.205 14.850 23.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.059 15.554 25.234 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.203 13.955 25.936 1.00 0.00 H new ATOM 728 N GLN A 90 2.010 14.552 27.547 1.00 0.00 N0 ATOM 729 CA GLN A 90 2.912 14.985 28.609 1.00 0.00 C0 ATOM 730 C GLN A 90 4.347 14.571 28.314 1.00 0.00 C0 ATOM 731 O GLN A 90 5.283 15.036 28.965 1.00 0.00 O0 ATOM 732 CB GLN A 90 2.468 14.410 29.956 1.00 0.00 C0 ATOM 733 CG GLN A 90 1.086 14.860 30.399 1.00 0.00 C0 ATOM 734 CD GLN A 90 0.996 16.363 30.580 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 1.816 16.968 31.277 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 -0.002 16.975 29.954 1.00 0.00 N0 ATOM 0 H GLN A 90 1.563 13.651 27.715 1.00 0.00 H new ATOM 0 HA GLN A 90 2.872 16.073 28.657 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.482 13.322 29.896 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.193 14.697 30.718 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.350 14.541 29.661 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.831 14.368 31.338 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.657 16.435 29.388 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.114 17.985 30.039 1.00 0.00 H new ATOM 745 N GLN A 91 4.516 13.695 27.330 1.00 0.00 N0 ATOM 746 CA GLN A 91 5.839 13.215 26.949 1.00 0.00 C0 ATOM 747 C GLN A 91 6.283 13.819 25.622 1.00 0.00 C0 ATOM 748 O GLN A 91 5.457 14.247 24.817 1.00 0.00 O0 ATOM 749 CB GLN A 91 5.848 11.686 26.856 1.00 0.00 C0 ATOM 750 CG GLN A 91 5.481 10.982 28.151 1.00 0.00 C0 ATOM 751 CD GLN A 91 6.488 11.243 29.256 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 7.687 11.006 29.092 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 6.004 11.733 30.392 1.00 0.00 N0 ATOM 0 H GLN A 91 3.752 13.302 26.781 1.00 0.00 H new ATOM 0 HA GLN A 91 6.542 13.529 27.721 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.151 11.376 26.077 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.840 11.358 26.545 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.495 11.315 28.476 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.412 9.909 27.971 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.004 11.914 30.484 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.632 11.928 31.172 1.00 0.00 H new ATOM 762 N SER A 92 7.593 13.850 25.402 1.00 0.00 N0 ATOM 763 CA SER A 92 8.146 14.334 24.143 1.00 0.00 C0 ATOM 764 C SER A 92 9.541 13.771 23.902 1.00 0.00 C0 ATOM 765 O SER A 92 10.481 14.079 24.635 1.00 0.00 O0 ATOM 766 CB SER A 92 8.197 15.849 24.144 1.00 0.00 C0 ATOM 767 OG SER A 92 8.766 16.334 22.959 1.00 0.00 O0 ATOM 0 H SER A 92 8.292 13.545 26.080 1.00 0.00 H new ATOM 0 HA SER A 92 7.496 13.994 23.337 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.190 16.250 24.259 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.777 16.196 24.999 1.00 0.00 H new ATOM 0 HG SER A 92 8.786 17.313 22.983 1.00 0.00 H new ATOM 773 N LEU A 93 9.670 12.944 22.869 1.00 0.00 N0 ATOM 774 CA LEU A 93 10.926 12.261 22.587 1.00 0.00 C0 ATOM 775 C LEU A 93 11.418 12.574 21.179 1.00 0.00 C0 ATOM 776 O LEU A 93 10.628 12.661 20.240 1.00 0.00 O0 ATOM 777 CB LEU A 93 10.755 10.746 22.750 1.00 0.00 C0 ATOM 778 CG LEU A 93 10.549 10.251 24.187 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 9.068 10.298 24.535 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 11.097 8.838 24.321 1.00 0.00 C0 ATOM 0 H LEU A 93 8.918 12.731 22.213 1.00 0.00 H new ATOM 0 HA LEU A 93 11.669 12.620 23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.902 10.429 22.150 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.636 10.253 22.338 1.00 0.00 H new ATOM 0 HG LEU A 93 11.086 10.896 24.883 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.923 9.946 25.556 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.707 11.323 24.450 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.513 9.659 23.849 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.951 8.486 25.342 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.572 8.177 23.631 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.161 8.837 24.086 1.00 0.00 H new ATOM 792 N PRO A 94 12.729 12.743 21.040 1.00 0.00 N0 ATOM 793 CA PRO A 94 13.332 13.021 19.742 1.00 0.00 C0 ATOM 794 C PRO A 94 13.429 11.757 18.897 1.00 0.00 C0 ATOM 795 O PRO A 94 14.524 11.267 18.621 1.00 0.00 O0 ATOM 796 CB PRO A 94 14.717 13.560 20.114 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.065 12.839 21.371 1.00 0.00 C0 ATOM 798 CD PRO A 94 13.762 12.741 22.119 1.00 0.00 C0 ATOM 0 HA PRO A 94 12.753 13.719 19.138 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.445 13.363 19.327 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.697 14.639 20.267 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.478 11.852 21.162 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.814 13.383 21.947 1.00 0.00 H new ATOM 0 HD2 PRO A 94 13.712 11.832 22.718 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.629 13.580 22.802 1.00 0.00 H new ATOM 806 N VAL A 95 12.279 11.234 18.489 1.00 0.00 N0 ATOM 807 CA VAL A 95 12.227 9.983 17.742 1.00 0.00 C0 ATOM 808 C VAL A 95 12.685 10.182 16.303 1.00 0.00 C0 ATOM 809 O VAL A 95 12.061 10.916 15.538 1.00 0.00 O0 ATOM 810 CB VAL A 95 10.796 9.414 17.749 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 10.718 8.158 16.894 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 10.361 9.124 19.177 1.00 0.00 C0 ATOM 0 H VAL A 95 11.368 11.658 18.663 1.00 0.00 H new ATOM 0 HA VAL A 95 12.901 9.279 18.229 1.00 0.00 H new ATOM 0 HB VAL A 95 10.119 10.154 17.323 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.700 7.769 16.910 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.998 8.398 15.868 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.400 7.405 17.290 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.348 8.722 19.174 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.039 8.396 19.623 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.384 10.046 19.759 1.00 0.00 H new ATOM 822 N LYS A 96 13.780 9.522 15.939 1.00 0.00 N0 ATOM 823 CA LYS A 96 14.264 9.541 14.565 1.00 0.00 C0 ATOM 824 C LYS A 96 13.558 8.492 13.716 1.00 0.00 C0 ATOM 825 O LYS A 96 13.520 7.314 14.073 1.00 0.00 O0 ATOM 826 CB LYS A 96 15.778 9.317 14.526 1.00 0.00 C0 ATOM 827 CG LYS A 96 16.394 9.420 13.137 1.00 0.00 C0 ATOM 828 CD LYS A 96 17.905 9.254 13.190 1.00 0.00 C0 ATOM 829 CE LYS A 96 18.523 9.361 11.804 1.00 0.00 C0 ATOM 830 NZ LYS A 96 19.999 9.174 11.836 1.00 0.00 N0 ATOM 0 H LYS A 96 14.349 8.967 16.578 1.00 0.00 H new ATOM 0 HA LYS A 96 14.040 10.523 14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.258 10.047 15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.998 8.331 14.935 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.964 8.656 12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.147 10.387 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.334 10.016 13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.151 8.286 13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.077 8.612 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.290 10.337 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.380 9.254 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 20.428 9.904 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.221 8.233 12.219 1.00 0.00 H new ATOM 844 N LEU A 97 12.998 8.925 12.592 1.00 0.00 N0 ATOM 845 CA LEU A 97 12.240 8.036 11.721 1.00 0.00 C0 ATOM 846 C LEU A 97 13.042 7.666 10.480 1.00 0.00 C0 ATOM 847 O LEU A 97 13.059 8.405 9.496 1.00 0.00 O0 ATOM 848 CB LEU A 97 10.921 8.698 11.306 1.00 0.00 C0 ATOM 849 CG LEU A 97 9.986 9.096 12.455 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 8.753 9.790 11.891 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 9.600 7.856 13.249 1.00 0.00 C0 ATOM 0 H LEU A 97 13.055 9.889 12.263 1.00 0.00 H new ATOM 0 HA LEU A 97 12.027 7.124 12.278 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.151 9.590 10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.385 8.016 10.646 1.00 0.00 H new ATOM 0 HG LEU A 97 10.494 9.789 13.125 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.089 10.073 12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.056 10.683 11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.230 9.112 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.936 8.139 14.065 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.090 7.149 12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.498 7.391 13.656 1.00 0.00 H new ATOM 863 N ASP A 98 13.706 6.516 10.531 1.00 0.00 N0 ATOM 864 CA ASP A 98 14.419 5.991 9.374 1.00 0.00 C0 ATOM 865 C ASP A 98 13.450 5.512 8.300 1.00 0.00 C0 ATOM 866 O ASP A 98 12.337 5.080 8.602 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.340 4.839 9.787 1.00 0.00 C0 ATOM 868 CG ASP A 98 16.551 5.307 10.584 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 16.830 6.482 10.567 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 17.183 4.484 11.201 1.00 0.00 O0 ATOM 0 H ASP A 98 13.765 5.929 11.363 1.00 0.00 H new ATOM 0 HA ASP A 98 15.020 6.801 8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.774 4.123 10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.679 4.313 8.894 1.00 0.00 H new ATOM 875 N PRO A 99 13.879 5.592 7.045 1.00 0.00 N0 ATOM 876 CA PRO A 99 13.037 5.199 5.921 1.00 0.00 C0 ATOM 877 C PRO A 99 12.835 3.689 5.885 1.00 0.00 C0 ATOM 878 O PRO A 99 13.737 2.924 6.230 1.00 0.00 O0 ATOM 879 CB PRO A 99 13.831 5.691 4.707 1.00 0.00 C0 ATOM 880 CG PRO A 99 15.245 5.708 5.177 1.00 0.00 C0 ATOM 881 CD PRO A 99 15.159 6.156 6.611 1.00 0.00 C0 ATOM 0 HA PRO A 99 12.031 5.617 5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.704 5.027 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.504 6.682 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.702 4.722 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.853 6.391 4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.991 5.777 7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.174 7.242 6.698 1.00 0.00 H new ATOM 889 N ASP A 100 11.647 3.267 5.468 1.00 0.00 N0 ATOM 890 CA ASP A 100 11.330 1.847 5.370 1.00 0.00 C0 ATOM 891 C ASP A 100 11.468 1.157 6.722 1.00 0.00 C0 ATOM 892 O ASP A 100 12.053 0.079 6.823 1.00 0.00 O0 ATOM 893 CB ASP A 100 12.241 1.163 4.348 1.00 0.00 C0 ATOM 894 CG ASP A 100 12.114 1.757 2.951 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 11.097 2.343 2.666 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 13.035 1.618 2.183 1.00 0.00 O0 ATOM 0 H ASP A 100 10.887 3.888 5.192 1.00 0.00 H new ATOM 0 HA ASP A 100 10.294 1.762 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.276 1.244 4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.002 0.100 4.309 1.00 0.00 H new ATOM 901 N SER A 101 10.925 1.786 7.759 1.00 0.00 N0 ATOM 902 CA SER A 101 11.029 1.259 9.115 1.00 0.00 C0 ATOM 903 C SER A 101 9.838 1.684 9.964 1.00 0.00 C0 ATOM 904 O SER A 101 9.319 2.790 9.814 1.00 0.00 O0 ATOM 905 CB SER A 101 12.316 1.733 9.761 1.00 0.00 C0 ATOM 906 OG SER A 101 12.422 1.259 11.075 1.00 0.00 O0 ATOM 0 H SER A 101 10.408 2.662 7.686 1.00 0.00 H new ATOM 0 HA SER A 101 11.034 0.171 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.169 1.388 9.176 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.348 2.823 9.760 1.00 0.00 H new ATOM 0 HG SER A 101 13.261 1.576 11.471 1.00 0.00 H new ATOM 912 N TYR A 102 9.408 0.798 10.856 1.00 0.00 N0 ATOM 913 CA TYR A 102 8.319 1.105 11.776 1.00 0.00 C0 ATOM 914 C TYR A 102 8.848 1.438 13.165 1.00 0.00 C0 ATOM 915 O TYR A 102 9.900 0.947 13.573 1.00 0.00 O0 ATOM 916 CB TYR A 102 7.336 -0.066 11.850 1.00 0.00 C0 ATOM 917 CG TYR A 102 6.615 -0.342 10.549 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 7.306 -0.885 9.475 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 5.265 -0.052 10.429 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 6.647 -1.137 8.287 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 4.606 -0.303 9.242 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.293 -0.843 8.173 1.00 0.00 C0 ATOM 923 OH TYR A 102 4.637 -1.094 6.989 1.00 0.00 O0 ATOM 0 H TYR A 102 9.797 -0.139 10.961 1.00 0.00 H new ATOM 0 HA TYR A 102 7.796 1.982 11.394 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.876 -0.963 12.152 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.599 0.139 12.626 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.358 -1.110 9.568 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.728 0.371 11.265 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.182 -1.561 7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.554 -0.077 9.150 1.00 0.00 H new ATOM 0 HH TYR A 102 3.696 -0.834 7.075 1.00 0.00 H new ATOM 933 N TYR A 103 8.113 2.279 13.886 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.461 2.614 15.261 1.00 0.00 C0 ATOM 935 C TYR A 103 7.248 2.511 16.177 1.00 0.00 C0 ATOM 936 O TYR A 103 6.123 2.802 15.769 1.00 0.00 O0 ATOM 937 CB TYR A 103 9.064 4.018 15.334 1.00 0.00 C0 ATOM 938 CG TYR A 103 10.399 4.147 14.636 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 10.447 4.399 13.272 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 11.575 4.011 15.358 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 11.667 4.515 12.635 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 12.795 4.128 14.720 1.00 0.00 C0 ATOM 943 CZ TYR A 103 12.843 4.379 13.364 1.00 0.00 C0 ATOM 944 OH TYR A 103 14.058 4.495 12.729 1.00 0.00 O0 ATOM 0 H TYR A 103 7.272 2.741 13.540 1.00 0.00 H new ATOM 0 HA TYR A 103 9.205 1.894 15.603 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.364 4.727 14.892 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.183 4.298 16.381 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.531 4.504 12.709 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.537 3.814 16.419 1.00 0.00 H new ATOM 0 HE1 TYR A 103 11.707 4.711 11.574 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.711 4.023 15.283 1.00 0.00 H new ATOM 0 HH TYR A 103 14.780 4.375 13.380 1.00 0.00 H new ATOM 954 N THR A 104 7.482 2.096 17.417 1.00 0.00 N0 ATOM 955 CA THR A 104 6.448 2.130 18.445 1.00 0.00 C0 ATOM 956 C THR A 104 6.893 2.955 19.646 1.00 0.00 C0 ATOM 957 O THR A 104 7.886 2.634 20.298 1.00 0.00 O0 ATOM 958 CB THR A 104 6.076 0.708 18.904 1.00 0.00 C0 ATOM 959 OG1 THR A 104 5.587 -0.045 17.787 1.00 0.00 O0 ATOM 960 CG2 THR A 104 5.005 0.759 19.983 1.00 0.00 C0 ATOM 0 H THR A 104 8.380 1.732 17.735 1.00 0.00 H new ATOM 0 HA THR A 104 5.569 2.599 18.003 1.00 0.00 H new ATOM 0 HB THR A 104 6.967 0.230 19.312 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.227 -0.754 17.565 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.755 -0.255 20.295 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.378 1.321 20.839 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.114 1.248 19.589 1.00 0.00 H new ATOM 968 N LEU A 105 6.151 4.020 19.932 1.00 0.00 N0 ATOM 969 CA LEU A 105 6.514 4.940 21.005 1.00 0.00 C0 ATOM 970 C LEU A 105 5.541 4.834 22.172 1.00 0.00 C0 ATOM 971 O LEU A 105 4.374 5.210 22.058 1.00 0.00 O0 ATOM 972 CB LEU A 105 6.538 6.381 20.481 1.00 0.00 C0 ATOM 973 CG LEU A 105 6.911 7.456 21.510 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 8.328 7.212 22.009 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 6.784 8.832 20.874 1.00 0.00 C0 ATOM 0 H LEU A 105 5.295 4.268 19.436 1.00 0.00 H new ATOM 0 HA LEU A 105 7.508 4.667 21.359 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.245 6.436 19.653 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.554 6.617 20.076 1.00 0.00 H new ATOM 0 HG LEU A 105 6.234 7.407 22.363 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.593 7.976 22.740 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.385 6.228 22.475 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.022 7.257 21.170 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.049 9.596 21.605 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.455 8.900 20.018 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.757 8.987 20.543 1.00 0.00 H new ATOM 987 N VAL A 106 6.028 4.319 23.297 1.00 0.00 N0 ATOM 988 CA VAL A 106 5.237 4.267 24.520 1.00 0.00 C0 ATOM 989 C VAL A 106 5.337 5.573 25.297 1.00 0.00 C0 ATOM 990 O VAL A 106 6.404 5.931 25.795 1.00 0.00 O0 ATOM 991 CB VAL A 106 5.711 3.104 25.413 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 4.945 3.096 26.727 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 5.538 1.784 24.679 1.00 0.00 C0 ATOM 0 H VAL A 106 6.967 3.932 23.386 1.00 0.00 H new ATOM 0 HA VAL A 106 4.197 4.110 24.235 1.00 0.00 H new ATOM 0 HB VAL A 106 6.768 3.240 25.640 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.292 2.268 27.346 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.113 4.037 27.252 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.880 2.977 26.527 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.875 0.966 25.316 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.486 1.641 24.431 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.128 1.797 23.763 1.00 0.00 H new ATOM 1003 N SER A 107 4.218 6.282 25.398 1.00 0.00 N0 ATOM 1004 CA SER A 107 4.163 7.525 26.159 1.00 0.00 C0 ATOM 1005 C SER A 107 3.431 7.330 27.481 1.00 0.00 C0 ATOM 1006 O SER A 107 2.216 7.136 27.504 1.00 0.00 O0 ATOM 1007 CB SER A 107 3.479 8.606 25.347 1.00 0.00 C0 ATOM 1008 OG SER A 107 3.315 9.774 26.102 1.00 0.00 O0 ATOM 0 H SER A 107 3.335 6.017 24.962 1.00 0.00 H new ATOM 0 HA SER A 107 5.186 7.830 26.377 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.068 8.824 24.456 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.507 8.250 25.006 1.00 0.00 H new ATOM 0 HG SER A 107 2.892 10.464 25.550 1.00 0.00 H new ATOM 1014 N GLN A 108 4.178 7.381 28.578 1.00 0.00 N0 ATOM 1015 CA GLN A 108 3.596 7.239 29.908 1.00 0.00 C0 ATOM 1016 C GLN A 108 3.706 8.536 30.699 1.00 0.00 C0 ATOM 1017 O GLN A 108 4.776 8.877 31.203 1.00 0.00 O0 ATOM 1018 CB GLN A 108 4.278 6.101 30.672 1.00 0.00 C0 ATOM 1019 CG GLN A 108 3.663 5.807 32.030 1.00 0.00 C0 ATOM 1020 CD GLN A 108 4.337 4.643 32.730 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 5.564 4.520 32.719 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 3.537 3.780 33.346 1.00 0.00 N0 ATOM 0 H GLN A 108 5.189 7.520 28.573 1.00 0.00 H new ATOM 0 HA GLN A 108 2.539 7.002 29.785 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.240 5.197 30.065 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.331 6.349 30.808 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.734 6.695 32.658 1.00 0.00 H new ATOM 0 HG3 GLN A 108 2.602 5.588 31.906 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.527 3.920 33.330 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.933 2.977 33.835 1.00 0.00 H new ATOM 1031 N PRO A 109 2.594 9.255 30.803 1.00 0.00 N0 ATOM 1032 CA PRO A 109 2.560 10.510 31.546 1.00 0.00 C0 ATOM 1033 C PRO A 109 2.991 10.305 32.993 1.00 0.00 C0 ATOM 1034 O PRO A 109 2.346 9.573 33.744 1.00 0.00 O0 ATOM 1035 CB PRO A 109 1.091 10.929 31.447 1.00 0.00 C0 ATOM 1036 CG PRO A 109 0.611 10.289 30.190 1.00 0.00 C0 ATOM 1037 CD PRO A 109 1.306 8.953 30.161 1.00 0.00 C0 ATOM 0 HA PRO A 109 3.243 11.263 31.153 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.521 10.587 32.311 1.00 0.00 H new ATOM 0 HB3 PRO A 109 0.988 12.013 31.406 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.473 10.173 30.192 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.866 10.889 29.316 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.748 8.193 30.707 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.435 8.584 29.144 1.00 0.00 H new ATOM 1045 N GLY A 110 4.083 10.956 33.377 1.00 0.00 N0 ATOM 1046 CA GLY A 110 4.559 10.909 34.755 1.00 0.00 C0 ATOM 1047 C GLY A 110 5.306 9.612 35.036 1.00 0.00 C0 ATOM 1048 O GLY A 110 5.583 9.280 36.189 1.00 0.00 O0 ATOM 0 H GLY A 110 4.656 11.523 32.753 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.215 11.758 34.945 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.714 11.000 35.438 1.00 0.00 H new ATOM 1052 N GLY A 111 5.629 8.879 33.975 1.00 0.00 N0 ATOM 1053 CA GLY A 111 6.335 7.610 34.106 1.00 0.00 C0 ATOM 1054 C GLY A 111 7.581 7.581 33.230 1.00 0.00 C0 ATOM 1055 O GLY A 111 8.352 8.540 33.198 1.00 0.00 O0 ATOM 0 H GLY A 111 5.412 9.143 33.014 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.615 7.452 35.147 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.672 6.791 33.827 1.00 0.00 H new ATOM 1059 N LYS A 112 7.774 6.475 32.520 1.00 0.00 N0 ATOM 1060 CA LYS A 112 8.941 6.307 31.663 1.00 0.00 C0 ATOM 1061 C LYS A 112 8.538 5.854 30.266 1.00 0.00 C0 ATOM 1062 O LYS A 112 7.990 4.765 30.091 1.00 0.00 O0 ATOM 1063 CB LYS A 112 9.919 5.307 32.280 1.00 0.00 C0 ATOM 1064 CG LYS A 112 11.194 5.094 31.473 1.00 0.00 C0 ATOM 1065 CD LYS A 112 12.126 4.110 32.162 1.00 0.00 C0 ATOM 1066 CE LYS A 112 13.384 3.869 31.341 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 14.305 2.907 32.002 1.00 0.00 N0 ATOM 0 H LYS A 112 7.135 5.680 32.521 1.00 0.00 H new ATOM 0 HA LYS A 112 9.434 7.275 31.577 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.189 5.650 33.279 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.414 4.348 32.398 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.941 4.724 30.480 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.704 6.047 31.337 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.399 4.493 33.145 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.607 3.165 32.321 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.108 3.489 30.357 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.901 4.816 31.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.149 2.771 31.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.590 3.281 32.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.821 1.995 32.130 1.00 0.00 H new ATOM 1081 N PRO A 113 8.812 6.694 29.274 1.00 0.00 N0 ATOM 1082 CA PRO A 113 8.497 6.371 27.888 1.00 0.00 C0 ATOM 1083 C PRO A 113 9.498 5.377 27.312 1.00 0.00 C0 ATOM 1084 O PRO A 113 10.609 5.233 27.823 1.00 0.00 O0 ATOM 1085 CB PRO A 113 8.585 7.731 27.188 1.00 0.00 C0 ATOM 1086 CG PRO A 113 9.624 8.472 27.960 1.00 0.00 C0 ATOM 1087 CD PRO A 113 9.393 8.060 29.389 1.00 0.00 C0 ATOM 0 HA PRO A 113 7.525 5.894 27.767 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.868 7.623 26.141 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.628 8.252 27.207 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.628 8.209 27.628 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.519 9.550 27.835 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.322 8.053 29.959 1.00 0.00 H new ATOM 0 HD3 PRO A 113 8.712 8.743 29.897 1.00 0.00 H new ATOM 1095 N GLN A 114 9.099 4.694 26.245 1.00 0.00 N0 ATOM 1096 CA GLN A 114 9.955 3.701 25.606 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.753 3.687 24.097 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.646 3.455 23.611 1.00 0.00 O0 ATOM 1099 CB GLN A 114 9.681 2.309 26.183 1.00 0.00 C0 ATOM 1100 CG GLN A 114 10.503 1.200 25.546 1.00 0.00 C0 ATOM 1101 CD GLN A 114 11.978 1.306 25.884 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 12.369 1.235 27.052 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 12.806 1.478 24.860 1.00 0.00 N0 ATOM 0 H GLN A 114 8.187 4.810 25.804 1.00 0.00 H new ATOM 0 HA GLN A 114 10.990 3.974 25.809 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.881 2.326 27.254 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.623 2.078 26.060 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.125 0.234 25.880 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.378 1.234 24.464 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.438 1.531 23.910 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.810 1.557 25.023 1.00 0.00 H new ATOM 1112 N LEU A 115 10.829 3.938 23.359 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.799 3.845 21.905 1.00 0.00 C0 ATOM 1114 C LEU A 115 11.307 2.490 21.428 1.00 0.00 C0 ATOM 1115 O LEU A 115 12.375 2.037 21.841 1.00 0.00 O0 ATOM 1116 CB LEU A 115 11.648 4.962 21.285 1.00 0.00 C0 ATOM 1117 CG LEU A 115 11.767 4.937 19.755 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 10.406 5.222 19.135 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 12.797 5.964 19.309 1.00 0.00 C0 ATOM 0 H LEU A 115 11.734 4.208 23.745 1.00 0.00 H new ATOM 0 HA LEU A 115 9.763 3.956 21.585 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.226 5.922 21.582 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.650 4.910 21.710 1.00 0.00 H new ATOM 0 HG LEU A 115 12.097 3.953 19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.490 5.204 18.048 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.694 4.462 19.456 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.058 6.204 19.456 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.882 5.946 18.222 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.485 6.957 19.633 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.764 5.726 19.752 1.00 0.00 H new ATOM 1131 N VAL A 116 10.536 1.848 20.559 1.00 0.00 N0 ATOM 1132 CA VAL A 116 10.932 0.569 19.982 1.00 0.00 C0 ATOM 1133 C VAL A 116 11.063 0.664 18.468 1.00 0.00 C0 ATOM 1134 O VAL A 116 10.114 1.032 17.776 1.00 0.00 O0 ATOM 1135 CB VAL A 116 9.903 -0.521 20.339 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 10.294 -1.849 19.710 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 9.791 -0.652 21.850 1.00 0.00 C0 ATOM 0 H VAL A 116 9.631 2.193 20.238 1.00 0.00 H new ATOM 0 HA VAL A 116 11.903 0.305 20.400 1.00 0.00 H new ATOM 0 HB VAL A 116 8.930 -0.233 19.941 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.556 -2.607 19.973 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.333 -1.741 18.626 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.273 -2.152 20.080 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.062 -1.424 22.095 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.762 -0.925 22.265 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.469 0.299 22.275 1.00 0.00 H new ATOM 1147 N ALA A 117 12.243 0.328 17.958 1.00 0.00 N0 ATOM 1148 CA ALA A 117 12.476 0.299 16.519 1.00 0.00 C0 ATOM 1149 C ALA A 117 12.033 -1.028 15.917 1.00 0.00 C0 ATOM 1150 O ALA A 117 12.278 -2.092 16.486 1.00 0.00 O0 ATOM 1151 CB ALA A 117 13.945 0.553 16.214 1.00 0.00 C0 ATOM 0 H ALA A 117 13.054 0.072 18.521 1.00 0.00 H new ATOM 0 HA ALA A 117 11.880 1.091 16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.102 0.528 15.136 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.233 1.531 16.600 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.553 -0.218 16.687 1.00 0.00 H new ATOM 1157 N GLU A 118 11.381 -0.959 14.761 1.00 0.00 N0 ATOM 1158 CA GLU A 118 10.868 -2.152 14.098 1.00 0.00 C0 ATOM 1159 C GLU A 118 11.074 -2.077 12.591 1.00 0.00 C0 ATOM 1160 O GLU A 118 10.129 -1.849 11.836 1.00 0.00 O0 ATOM 1161 CB GLU A 118 9.381 -2.339 14.410 1.00 0.00 C0 ATOM 1162 CG GLU A 118 9.061 -2.468 15.893 1.00 0.00 C0 ATOM 1163 CD GLU A 118 7.591 -2.622 16.163 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 6.898 -3.122 15.310 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 7.159 -2.239 17.225 1.00 0.00 O0 ATOM 0 H GLU A 118 11.195 -0.088 14.263 1.00 0.00 H new ATOM 0 HA GLU A 118 11.425 -3.009 14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.828 -1.492 14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.023 -3.230 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.592 -3.328 16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.431 -1.587 16.417 1.00 0.00 H new ATOM 1172 N PRO A 119 12.315 -2.269 12.159 1.00 0.00 N0 ATOM 1173 CA PRO A 119 12.645 -2.246 10.738 1.00 0.00 C0 ATOM 1174 C PRO A 119 11.774 -3.221 9.955 1.00 0.00 C0 ATOM 1175 O PRO A 119 10.654 -2.914 9.652 1.00 0.00 O0 ATOM 1176 CB PRO A 119 14.118 -2.664 10.719 1.00 0.00 C0 ATOM 1177 CG PRO A 119 14.645 -2.211 12.037 1.00 0.00 C0 ATOM 1178 CD PRO A 119 13.519 -2.477 13.001 1.00 0.00 C0 ATOM 0 HA PRO A 119 12.474 -1.276 10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 119 14.224 -3.742 10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.654 -2.195 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 119 15.545 -2.760 12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.910 -1.154 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 119 13.561 -3.489 13.404 1.00 0.00 H new ATOM 0 HD3 PRO A 119 13.543 -1.794 13.850 1.00 0.00 H new TER 1186 PRO A 119