USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 911 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 109 MET CE :methyl -132:sc= -2.59! (180deg=-3.79!) USER MOD Set 1.2: A 113 MET CE :methyl 141:sc= -0.843 (180deg=-2.96!) USER MOD Set 2.1: A 56 THR OG1 : rot 160:sc= -0.918 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -3.25! C(o=-5.7!,f=-4.2!) USER MOD Set 3.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 45 SER OG : rot 86:sc= 1.27 USER MOD Single : A 3 ASN : amide:sc= -0.802 X(o=-0.8,f=-1) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.0176 (180deg=-0.224) USER MOD Single : A 16 CYS SG : rot 75:sc= 0.387 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= -0.0585 (180deg=-0.335) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 43 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 46 THR OG1 : rot 26:sc= 0.231 USER MOD Single : A 65 CYS SG : rot -150:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 130:sc= -0.394 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -75:sc= 0.751! USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -0.48 (180deg=-2.51!) USER MOD Single : A 97 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.1) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -58:sc= 0.767 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 108 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.2!) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= 0.656 F(o=-0.08,f=0.66) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 4.281 -0.099 1.597 1.00 13.00 N ATOM 2 CA GLY A 2 3.797 0.164 0.255 1.00 45.03 C ATOM 3 C GLY A 2 4.769 0.992 -0.562 1.00 33.01 C ATOM 4 O GLY A 2 5.791 0.485 -1.022 1.00 73.14 O ATOM 0 HA2 GLY A 2 3.615 -0.783 -0.254 1.00 45.03 H new ATOM 0 HA3 GLY A 2 2.841 0.684 0.313 1.00 45.03 H new ATOM 8 N ASN A 3 4.450 2.269 -0.742 1.00 41.34 N ATOM 9 CA ASN A 3 5.303 3.168 -1.511 1.00 63.05 C ATOM 10 C ASN A 3 5.493 2.653 -2.935 1.00 33.22 C ATOM 11 O ASN A 3 6.610 2.614 -3.448 1.00 54.41 O ATOM 12 CB ASN A 3 6.663 3.324 -0.828 1.00 32.11 C ATOM 13 CG ASN A 3 7.514 4.401 -1.473 1.00 30.22 C ATOM 14 OD1 ASN A 3 8.411 4.108 -2.264 1.00 71.42 O ATOM 15 ND2 ASN A 3 7.237 5.655 -1.135 1.00 51.24 N ATOM 0 H ASN A 3 3.608 2.705 -0.366 1.00 41.34 H new ATOM 0 HA ASN A 3 4.814 4.141 -1.557 1.00 63.05 H new ATOM 0 HB2 ASN A 3 6.512 3.565 0.224 1.00 32.11 H new ATOM 0 HB3 ASN A 3 7.196 2.374 -0.864 1.00 32.11 H new ATOM 0 HD21 ASN A 3 7.777 6.422 -1.535 1.00 51.24 H new ATOM 0 HD22 ASN A 3 6.484 5.851 -0.475 1.00 51.24 H new ATOM 22 N GLY A 4 4.392 2.260 -3.568 1.00 62.50 N ATOM 23 CA GLY A 4 4.458 1.753 -4.926 1.00 74.23 C ATOM 24 C GLY A 4 4.254 2.841 -5.962 1.00 72.44 C ATOM 25 O GLY A 4 4.327 4.028 -5.646 1.00 31.44 O ATOM 0 H GLY A 4 3.455 2.284 -3.165 1.00 62.50 H new ATOM 0 HA2 GLY A 4 5.426 1.279 -5.087 1.00 74.23 H new ATOM 0 HA3 GLY A 4 3.700 0.982 -5.060 1.00 74.23 H new ATOM 29 N GLN A 5 3.998 2.436 -7.202 1.00 14.54 N ATOM 30 CA GLN A 5 3.786 3.386 -8.287 1.00 51.43 C ATOM 31 C GLN A 5 3.273 2.679 -9.537 1.00 61.44 C ATOM 32 O GLN A 5 3.788 1.632 -9.925 1.00 2.52 O ATOM 33 CB GLN A 5 5.085 4.130 -8.604 1.00 11.02 C ATOM 34 CG GLN A 5 4.931 5.189 -9.683 1.00 70.21 C ATOM 35 CD GLN A 5 6.217 5.950 -9.942 1.00 22.13 C ATOM 36 OE1 GLN A 5 6.621 6.798 -9.146 1.00 2.22 O ATOM 37 NE2 GLN A 5 6.868 5.649 -11.059 1.00 3.34 N ATOM 0 H GLN A 5 3.932 1.457 -7.480 1.00 14.54 H new ATOM 0 HA GLN A 5 3.034 4.105 -7.964 1.00 51.43 H new ATOM 0 HB2 GLN A 5 5.455 4.602 -7.694 1.00 11.02 H new ATOM 0 HB3 GLN A 5 5.839 3.409 -8.919 1.00 11.02 H new ATOM 0 HG2 GLN A 5 4.601 4.715 -10.608 1.00 70.21 H new ATOM 0 HG3 GLN A 5 4.151 5.891 -9.389 1.00 70.21 H new ATOM 0 HE21 GLN A 5 6.497 4.939 -11.690 1.00 3.34 H new ATOM 0 HE22 GLN A 5 7.740 6.128 -11.286 1.00 3.34 H new ATOM 46 N GLY A 6 2.253 3.259 -10.163 1.00 55.54 N ATOM 47 CA GLY A 6 1.688 2.670 -11.362 1.00 23.33 C ATOM 48 C GLY A 6 0.762 3.621 -12.094 1.00 64.32 C ATOM 49 O GLY A 6 0.893 4.840 -11.975 1.00 22.50 O ATOM 0 H GLY A 6 1.809 4.126 -9.861 1.00 55.54 H new ATOM 0 HA2 GLY A 6 2.495 2.368 -12.030 1.00 23.33 H new ATOM 0 HA3 GLY A 6 1.139 1.767 -11.096 1.00 23.33 H new ATOM 53 N ARG A 7 -0.175 3.065 -12.855 1.00 23.14 N ATOM 54 CA ARG A 7 -1.124 3.872 -13.612 1.00 32.42 C ATOM 55 C ARG A 7 -1.867 4.840 -12.695 1.00 15.30 C ATOM 56 O ARG A 7 -2.200 5.957 -13.093 1.00 2.53 O ATOM 57 CB ARG A 7 -2.126 2.974 -14.339 1.00 5.23 C ATOM 58 CG ARG A 7 -1.475 1.985 -15.292 1.00 44.02 C ATOM 59 CD ARG A 7 -1.941 2.202 -16.724 1.00 33.24 C ATOM 60 NE ARG A 7 -1.953 0.959 -17.491 1.00 20.50 N ATOM 61 CZ ARG A 7 -2.865 0.007 -17.332 1.00 22.10 C ATOM 62 NH1 ARG A 7 -3.834 0.154 -16.439 1.00 32.41 N ATOM 63 NH2 ARG A 7 -2.809 -1.096 -18.068 1.00 1.05 N ATOM 0 H ARG A 7 -0.297 2.058 -12.964 1.00 23.14 H new ATOM 0 HA ARG A 7 -0.564 4.450 -14.347 1.00 32.42 H new ATOM 0 HB2 ARG A 7 -2.711 2.424 -13.601 1.00 5.23 H new ATOM 0 HB3 ARG A 7 -2.823 3.599 -14.897 1.00 5.23 H new ATOM 0 HG2 ARG A 7 -0.391 2.089 -15.241 1.00 44.02 H new ATOM 0 HG3 ARG A 7 -1.713 0.968 -14.981 1.00 44.02 H new ATOM 0 HD2 ARG A 7 -2.942 2.634 -16.718 1.00 33.24 H new ATOM 0 HD3 ARG A 7 -1.286 2.923 -17.213 1.00 33.24 H new ATOM 0 HE ARG A 7 -1.221 0.814 -18.187 1.00 20.50 H new ATOM 0 HH11 ARG A 7 -3.881 1.000 -15.872 1.00 32.41 H new ATOM 0 HH12 ARG A 7 -4.533 -0.579 -16.319 1.00 32.41 H new ATOM 0 HH21 ARG A 7 -2.065 -1.213 -18.756 1.00 1.05 H new ATOM 0 HH22 ARG A 7 -3.510 -1.827 -17.945 1.00 1.05 H new ATOM 77 N ASP A 8 -2.123 4.405 -11.466 1.00 40.52 N ATOM 78 CA ASP A 8 -2.824 5.233 -10.492 1.00 61.01 C ATOM 79 C ASP A 8 -1.998 6.464 -10.129 1.00 22.42 C ATOM 80 O ASP A 8 -2.484 7.593 -10.206 1.00 12.45 O ATOM 81 CB ASP A 8 -3.135 4.423 -9.233 1.00 22.54 C ATOM 82 CG ASP A 8 -4.212 5.068 -8.382 1.00 33.55 C ATOM 83 OD1 ASP A 8 -5.132 4.347 -7.941 1.00 11.34 O ATOM 84 OD2 ASP A 8 -4.134 6.293 -8.155 1.00 30.24 O ATOM 0 H ASP A 8 -1.855 3.483 -11.121 1.00 40.52 H new ATOM 0 HA ASP A 8 -3.760 5.566 -10.941 1.00 61.01 H new ATOM 0 HB2 ASP A 8 -3.453 3.420 -9.519 1.00 22.54 H new ATOM 0 HB3 ASP A 8 -2.226 4.312 -8.642 1.00 22.54 H new ATOM 89 N TRP A 9 -0.751 6.236 -9.734 1.00 74.51 N ATOM 90 CA TRP A 9 0.141 7.328 -9.357 1.00 4.44 C ATOM 91 C TRP A 9 0.285 8.331 -10.496 1.00 25.43 C ATOM 92 O TRP A 9 0.240 9.541 -10.280 1.00 61.52 O ATOM 93 CB TRP A 9 1.515 6.778 -8.968 1.00 41.44 C ATOM 94 CG TRP A 9 2.235 7.632 -7.968 1.00 22.21 C ATOM 95 CD1 TRP A 9 3.492 8.148 -8.086 1.00 55.33 C ATOM 96 CD2 TRP A 9 1.739 8.064 -6.697 1.00 24.40 C ATOM 97 NE1 TRP A 9 3.809 8.877 -6.965 1.00 0.03 N ATOM 98 CE2 TRP A 9 2.749 8.841 -6.098 1.00 55.11 C ATOM 99 CE3 TRP A 9 0.538 7.872 -6.007 1.00 33.31 C ATOM 100 CZ2 TRP A 9 2.594 9.424 -4.843 1.00 62.21 C ATOM 101 CZ3 TRP A 9 0.387 8.451 -4.761 1.00 60.50 C ATOM 102 CH2 TRP A 9 1.409 9.220 -4.190 1.00 12.21 C ATOM 0 H TRP A 9 -0.334 5.307 -9.666 1.00 74.51 H new ATOM 0 HA TRP A 9 -0.294 7.841 -8.499 1.00 4.44 H new ATOM 0 HB2 TRP A 9 1.394 5.775 -8.559 1.00 41.44 H new ATOM 0 HB3 TRP A 9 2.128 6.685 -9.864 1.00 41.44 H new ATOM 0 HD1 TRP A 9 4.143 8.005 -8.936 1.00 55.33 H new ATOM 0 HE1 TRP A 9 4.690 9.365 -6.805 1.00 0.03 H new ATOM 0 HE3 TRP A 9 -0.257 7.282 -6.440 1.00 33.31 H new ATOM 0 HZ2 TRP A 9 3.381 10.016 -4.401 1.00 62.21 H new ATOM 0 HZ3 TRP A 9 -0.536 8.308 -4.218 1.00 60.50 H new ATOM 0 HH2 TRP A 9 1.259 9.660 -3.215 1.00 12.21 H new ATOM 113 N LYS A 10 0.458 7.820 -11.711 1.00 11.44 N ATOM 114 CA LYS A 10 0.606 8.671 -12.885 1.00 54.25 C ATOM 115 C LYS A 10 -0.689 9.419 -13.183 1.00 31.41 C ATOM 116 O LYS A 10 -0.681 10.630 -13.401 1.00 41.12 O ATOM 117 CB LYS A 10 1.014 7.833 -14.099 1.00 72.14 C ATOM 118 CG LYS A 10 2.241 8.365 -14.820 1.00 22.12 C ATOM 119 CD LYS A 10 2.046 8.364 -16.328 1.00 34.03 C ATOM 120 CE LYS A 10 2.929 9.402 -17.004 1.00 23.15 C ATOM 121 NZ LYS A 10 4.351 8.964 -17.066 1.00 2.32 N ATOM 0 H LYS A 10 0.499 6.820 -11.908 1.00 11.44 H new ATOM 0 HA LYS A 10 1.387 9.402 -12.676 1.00 54.25 H new ATOM 0 HB2 LYS A 10 1.208 6.810 -13.776 1.00 72.14 H new ATOM 0 HB3 LYS A 10 0.180 7.793 -14.800 1.00 72.14 H new ATOM 0 HG2 LYS A 10 2.453 9.379 -14.480 1.00 22.12 H new ATOM 0 HG3 LYS A 10 3.108 7.755 -14.564 1.00 22.12 H new ATOM 0 HD2 LYS A 10 2.275 7.375 -16.725 1.00 34.03 H new ATOM 0 HD3 LYS A 10 1.001 8.566 -16.561 1.00 34.03 H new ATOM 0 HE2 LYS A 10 2.562 9.589 -18.013 1.00 23.15 H new ATOM 0 HE3 LYS A 10 2.863 10.345 -16.461 1.00 23.15 H new ATOM 0 HZ1 LYS A 10 4.920 9.698 -17.533 1.00 2.32 H new ATOM 0 HZ2 LYS A 10 4.709 8.810 -16.102 1.00 2.32 H new ATOM 0 HZ3 LYS A 10 4.418 8.078 -17.606 1.00 2.32 H new ATOM 135 N MET A 11 -1.800 8.690 -13.187 1.00 34.24 N ATOM 136 CA MET A 11 -3.103 9.287 -13.454 1.00 61.45 C ATOM 137 C MET A 11 -3.450 10.333 -12.399 1.00 32.24 C ATOM 138 O MET A 11 -4.140 11.310 -12.684 1.00 73.35 O ATOM 139 CB MET A 11 -4.186 8.206 -13.490 1.00 42.34 C ATOM 140 CG MET A 11 -5.570 8.742 -13.815 1.00 71.42 C ATOM 141 SD MET A 11 -6.246 8.048 -15.336 1.00 12.22 S ATOM 142 CE MET A 11 -5.541 9.155 -16.555 1.00 65.32 C ATOM 0 H MET A 11 -1.824 7.686 -13.009 1.00 34.24 H new ATOM 0 HA MET A 11 -3.056 9.778 -14.426 1.00 61.45 H new ATOM 0 HB2 MET A 11 -3.913 7.455 -14.231 1.00 42.34 H new ATOM 0 HB3 MET A 11 -4.218 7.703 -12.523 1.00 42.34 H new ATOM 0 HG2 MET A 11 -6.244 8.520 -12.988 1.00 71.42 H new ATOM 0 HG3 MET A 11 -5.523 9.827 -13.905 1.00 71.42 H new ATOM 0 HE1 MET A 11 -5.868 8.855 -17.551 1.00 65.32 H new ATOM 0 HE2 MET A 11 -5.872 10.174 -16.356 1.00 65.32 H new ATOM 0 HE3 MET A 11 -4.453 9.110 -16.501 1.00 65.32 H new ATOM 152 N ALA A 12 -2.966 10.120 -11.180 1.00 53.03 N ATOM 153 CA ALA A 12 -3.222 11.046 -10.083 1.00 64.53 C ATOM 154 C ALA A 12 -2.542 12.388 -10.327 1.00 32.13 C ATOM 155 O ALA A 12 -3.197 13.430 -10.360 1.00 40.45 O ATOM 156 CB ALA A 12 -2.756 10.446 -8.766 1.00 3.32 C ATOM 0 H ALA A 12 -2.394 9.314 -10.927 1.00 53.03 H new ATOM 0 HA ALA A 12 -4.297 11.219 -10.030 1.00 64.53 H new ATOM 0 HB1 ALA A 12 -2.953 11.148 -7.956 1.00 3.32 H new ATOM 0 HB2 ALA A 12 -3.294 9.516 -8.579 1.00 3.32 H new ATOM 0 HB3 ALA A 12 -1.686 10.243 -8.817 1.00 3.32 H new ATOM 162 N ILE A 13 -1.224 12.356 -10.495 1.00 45.32 N ATOM 163 CA ILE A 13 -0.455 13.570 -10.736 1.00 43.13 C ATOM 164 C ILE A 13 -0.799 14.179 -12.091 1.00 31.52 C ATOM 165 O ILE A 13 -0.767 15.398 -12.263 1.00 24.40 O ATOM 166 CB ILE A 13 1.060 13.298 -10.678 1.00 75.04 C ATOM 167 CG1 ILE A 13 1.425 12.601 -9.366 1.00 42.03 C ATOM 168 CG2 ILE A 13 1.837 14.597 -10.828 1.00 2.40 C ATOM 169 CD1 ILE A 13 1.180 13.453 -8.141 1.00 33.31 C ATOM 0 H ILE A 13 -0.667 11.502 -10.469 1.00 45.32 H new ATOM 0 HA ILE A 13 -0.720 14.273 -9.946 1.00 43.13 H new ATOM 0 HB ILE A 13 1.328 12.639 -11.504 1.00 75.04 H new ATOM 0 HG12 ILE A 13 0.847 11.681 -9.280 1.00 42.03 H new ATOM 0 HG13 ILE A 13 2.477 12.316 -9.396 1.00 42.03 H new ATOM 0 HG21 ILE A 13 2.906 14.389 -10.785 1.00 2.40 H new ATOM 0 HG22 ILE A 13 1.595 15.057 -11.786 1.00 2.40 H new ATOM 0 HG23 ILE A 13 1.567 15.278 -10.020 1.00 2.40 H new ATOM 0 HD11 ILE A 13 1.461 12.895 -7.248 1.00 33.31 H new ATOM 0 HD12 ILE A 13 1.778 14.362 -8.204 1.00 33.31 H new ATOM 0 HD13 ILE A 13 0.124 13.717 -8.087 1.00 33.31 H new ATOM 181 N LYS A 14 -1.131 13.323 -13.051 1.00 2.34 N ATOM 182 CA LYS A 14 -1.486 13.775 -14.392 1.00 14.42 C ATOM 183 C LYS A 14 -2.745 14.634 -14.361 1.00 72.10 C ATOM 184 O LYS A 14 -2.834 15.647 -15.054 1.00 44.34 O ATOM 185 CB LYS A 14 -1.695 12.575 -15.318 1.00 51.23 C ATOM 186 CG LYS A 14 -2.213 12.954 -16.695 1.00 23.52 C ATOM 187 CD LYS A 14 -2.368 11.733 -17.587 1.00 74.21 C ATOM 188 CE LYS A 14 -1.517 11.849 -18.842 1.00 71.23 C ATOM 189 NZ LYS A 14 -1.918 13.015 -19.678 1.00 41.14 N ATOM 0 H LYS A 14 -1.162 12.311 -12.926 1.00 2.34 H new ATOM 0 HA LYS A 14 -0.664 14.381 -14.774 1.00 14.42 H new ATOM 0 HB2 LYS A 14 -0.750 12.042 -15.428 1.00 51.23 H new ATOM 0 HB3 LYS A 14 -2.398 11.885 -14.852 1.00 51.23 H new ATOM 0 HG2 LYS A 14 -3.174 13.459 -16.597 1.00 23.52 H new ATOM 0 HG3 LYS A 14 -1.527 13.662 -17.161 1.00 23.52 H new ATOM 0 HD2 LYS A 14 -2.083 10.838 -17.034 1.00 74.21 H new ATOM 0 HD3 LYS A 14 -3.415 11.615 -17.866 1.00 74.21 H new ATOM 0 HE2 LYS A 14 -0.468 11.946 -18.562 1.00 71.23 H new ATOM 0 HE3 LYS A 14 -1.607 10.934 -19.428 1.00 71.23 H new ATOM 0 HZ1 LYS A 14 -1.634 12.849 -20.665 1.00 41.14 H new ATOM 0 HZ2 LYS A 14 -2.950 13.138 -19.631 1.00 41.14 H new ATOM 0 HZ3 LYS A 14 -1.451 13.874 -19.323 1.00 41.14 H new ATOM 203 N ARG A 15 -3.716 14.223 -13.552 1.00 31.35 N ATOM 204 CA ARG A 15 -4.972 14.955 -13.431 1.00 12.32 C ATOM 205 C ARG A 15 -4.759 16.281 -12.707 1.00 33.32 C ATOM 206 O ARG A 15 -5.137 17.341 -13.207 1.00 5.32 O ATOM 207 CB ARG A 15 -6.008 14.113 -12.684 1.00 13.40 C ATOM 208 CG ARG A 15 -7.028 13.453 -13.597 1.00 25.34 C ATOM 209 CD ARG A 15 -8.428 13.994 -13.351 1.00 34.44 C ATOM 210 NE ARG A 15 -9.299 13.804 -14.507 1.00 1.11 N ATOM 211 CZ ARG A 15 -9.155 14.463 -15.651 1.00 43.42 C ATOM 212 NH1 ARG A 15 -8.179 15.348 -15.792 1.00 15.30 N ATOM 213 NH2 ARG A 15 -9.988 14.234 -16.659 1.00 54.22 N ATOM 0 H ARG A 15 -3.657 13.387 -12.970 1.00 31.35 H new ATOM 0 HA ARG A 15 -5.341 15.164 -14.435 1.00 12.32 H new ATOM 0 HB2 ARG A 15 -5.493 13.342 -12.111 1.00 13.40 H new ATOM 0 HB3 ARG A 15 -6.530 14.747 -11.967 1.00 13.40 H new ATOM 0 HG2 ARG A 15 -6.749 13.621 -14.637 1.00 25.34 H new ATOM 0 HG3 ARG A 15 -7.020 12.375 -13.435 1.00 25.34 H new ATOM 0 HD2 ARG A 15 -8.862 13.496 -12.484 1.00 34.44 H new ATOM 0 HD3 ARG A 15 -8.369 15.056 -13.112 1.00 34.44 H new ATOM 0 HE ARG A 15 -10.059 13.128 -14.432 1.00 1.11 H new ATOM 0 HH11 ARG A 15 -7.536 15.525 -15.021 1.00 15.30 H new ATOM 0 HH12 ARG A 15 -8.071 15.852 -16.672 1.00 15.30 H new ATOM 0 HH21 ARG A 15 -10.739 13.552 -16.555 1.00 54.22 H new ATOM 0 HH22 ARG A 15 -9.877 14.740 -17.537 1.00 54.22 H new ATOM 227 N CYS A 16 -4.154 16.214 -11.525 1.00 62.03 N ATOM 228 CA CYS A 16 -3.894 17.409 -10.731 1.00 52.01 C ATOM 229 C CYS A 16 -2.887 18.317 -11.430 1.00 12.22 C ATOM 230 O CYS A 16 -2.730 19.482 -11.065 1.00 52.53 O ATOM 231 CB CYS A 16 -3.374 17.022 -9.346 1.00 53.11 C ATOM 232 SG CYS A 16 -4.371 15.768 -8.508 1.00 13.43 S ATOM 0 H CYS A 16 -3.835 15.345 -11.096 1.00 62.03 H new ATOM 0 HA CYS A 16 -4.832 17.954 -10.620 1.00 52.01 H new ATOM 0 HB2 CYS A 16 -2.353 16.654 -9.443 1.00 53.11 H new ATOM 0 HB3 CYS A 16 -3.333 17.915 -8.722 1.00 53.11 H new ATOM 0 HG CYS A 16 -4.138 14.604 -9.037 1.00 13.43 H new ATOM 238 N SER A 17 -2.207 17.775 -12.434 1.00 44.52 N ATOM 239 CA SER A 17 -1.210 18.534 -13.181 1.00 60.23 C ATOM 240 C SER A 17 -1.851 19.730 -13.882 1.00 2.44 C ATOM 241 O SER A 17 -1.164 20.664 -14.291 1.00 22.32 O ATOM 242 CB SER A 17 -0.519 17.637 -14.209 1.00 13.40 C ATOM 243 OG SER A 17 0.867 17.524 -13.937 1.00 15.12 O ATOM 0 H SER A 17 -2.328 16.813 -12.750 1.00 44.52 H new ATOM 0 HA SER A 17 -0.467 18.903 -12.474 1.00 60.23 H new ATOM 0 HB2 SER A 17 -0.977 16.648 -14.199 1.00 13.40 H new ATOM 0 HB3 SER A 17 -0.664 18.046 -15.209 1.00 13.40 H new ATOM 0 HG SER A 17 1.286 16.944 -14.607 1.00 15.12 H new ATOM 249 N ASN A 18 -3.173 19.689 -14.016 1.00 53.14 N ATOM 250 CA ASN A 18 -3.908 20.767 -14.667 1.00 74.23 C ATOM 251 C ASN A 18 -5.022 21.289 -13.765 1.00 10.12 C ATOM 252 O ASN A 18 -6.103 21.641 -14.235 1.00 61.01 O ATOM 253 CB ASN A 18 -4.496 20.283 -15.994 1.00 32.20 C ATOM 254 CG ASN A 18 -4.766 21.423 -16.957 1.00 74.40 C ATOM 255 OD1 ASN A 18 -4.183 22.501 -16.840 1.00 14.32 O ATOM 256 ND2 ASN A 18 -5.655 21.190 -17.916 1.00 4.15 N ATOM 0 H ASN A 18 -3.756 18.922 -13.683 1.00 53.14 H new ATOM 0 HA ASN A 18 -3.211 21.582 -14.862 1.00 74.23 H new ATOM 0 HB2 ASN A 18 -3.808 19.576 -16.457 1.00 32.20 H new ATOM 0 HB3 ASN A 18 -5.425 19.745 -15.802 1.00 32.20 H new ATOM 0 HD21 ASN A 18 -5.878 21.920 -18.593 1.00 4.15 H new ATOM 0 HD22 ASN A 18 -6.115 20.281 -17.976 1.00 4.15 H new ATOM 263 N VAL A 19 -4.749 21.336 -12.464 1.00 74.04 N ATOM 264 CA VAL A 19 -5.727 21.817 -11.495 1.00 52.43 C ATOM 265 C VAL A 19 -5.218 23.058 -10.771 1.00 75.10 C ATOM 266 O VAL A 19 -4.020 23.200 -10.528 1.00 52.04 O ATOM 267 CB VAL A 19 -6.067 20.732 -10.456 1.00 71.21 C ATOM 268 CG1 VAL A 19 -4.907 20.533 -9.493 1.00 2.45 C ATOM 269 CG2 VAL A 19 -7.338 21.095 -9.703 1.00 42.42 C ATOM 0 H VAL A 19 -3.859 21.047 -12.058 1.00 74.04 H new ATOM 0 HA VAL A 19 -6.629 22.070 -12.053 1.00 52.43 H new ATOM 0 HB VAL A 19 -6.238 19.792 -10.981 1.00 71.21 H new ATOM 0 HG11 VAL A 19 -5.165 19.763 -8.766 1.00 2.45 H new ATOM 0 HG12 VAL A 19 -4.021 20.225 -10.049 1.00 2.45 H new ATOM 0 HG13 VAL A 19 -4.701 21.468 -8.973 1.00 2.45 H new ATOM 0 HG21 VAL A 19 -7.563 20.317 -8.973 1.00 42.42 H new ATOM 0 HG22 VAL A 19 -7.197 22.046 -9.189 1.00 42.42 H new ATOM 0 HG23 VAL A 19 -8.166 21.182 -10.407 1.00 42.42 H new ATOM 279 N ALA A 20 -6.138 23.954 -10.426 1.00 50.21 N ATOM 280 CA ALA A 20 -5.783 25.183 -9.726 1.00 4.43 C ATOM 281 C ALA A 20 -5.456 24.905 -8.262 1.00 40.10 C ATOM 282 O ALA A 20 -6.094 24.070 -7.621 1.00 53.02 O ATOM 283 CB ALA A 20 -6.912 26.195 -9.834 1.00 74.14 C ATOM 0 H ALA A 20 -7.134 23.852 -10.620 1.00 50.21 H new ATOM 0 HA ALA A 20 -4.892 25.598 -10.198 1.00 4.43 H new ATOM 0 HB1 ALA A 20 -6.634 27.108 -9.307 1.00 74.14 H new ATOM 0 HB2 ALA A 20 -7.096 26.424 -10.884 1.00 74.14 H new ATOM 0 HB3 ALA A 20 -7.816 25.780 -9.389 1.00 74.14 H new ATOM 289 N VAL A 21 -4.458 25.612 -7.740 1.00 2.12 N ATOM 290 CA VAL A 21 -4.047 25.442 -6.352 1.00 12.14 C ATOM 291 C VAL A 21 -4.714 26.475 -5.450 1.00 23.41 C ATOM 292 O VAL A 21 -4.981 26.212 -4.278 1.00 52.23 O ATOM 293 CB VAL A 21 -2.518 25.556 -6.200 1.00 45.11 C ATOM 294 CG1 VAL A 21 -2.015 26.849 -6.825 1.00 21.43 C ATOM 295 CG2 VAL A 21 -2.120 25.471 -4.735 1.00 62.23 C ATOM 0 H VAL A 21 -3.920 26.307 -8.257 1.00 2.12 H new ATOM 0 HA VAL A 21 -4.361 24.443 -6.050 1.00 12.14 H new ATOM 0 HB VAL A 21 -2.054 24.722 -6.726 1.00 45.11 H new ATOM 0 HG11 VAL A 21 -0.933 26.913 -6.708 1.00 21.43 H new ATOM 0 HG12 VAL A 21 -2.267 26.863 -7.885 1.00 21.43 H new ATOM 0 HG13 VAL A 21 -2.484 27.699 -6.330 1.00 21.43 H new ATOM 0 HG21 VAL A 21 -1.037 25.553 -4.647 1.00 62.23 H new ATOM 0 HG22 VAL A 21 -2.592 26.283 -4.182 1.00 62.23 H new ATOM 0 HG23 VAL A 21 -2.446 24.515 -4.324 1.00 62.23 H new ATOM 305 N GLY A 22 -4.982 27.652 -6.007 1.00 71.31 N ATOM 306 CA GLY A 22 -5.616 28.709 -5.240 1.00 4.22 C ATOM 307 C GLY A 22 -4.610 29.624 -4.570 1.00 63.41 C ATOM 308 O GLY A 22 -3.409 29.526 -4.822 1.00 55.12 O ATOM 0 H GLY A 22 -4.772 27.893 -6.976 1.00 71.31 H new ATOM 0 HA2 GLY A 22 -6.255 29.297 -5.898 1.00 4.22 H new ATOM 0 HA3 GLY A 22 -6.261 28.266 -4.481 1.00 4.22 H new ATOM 312 N VAL A 23 -5.101 30.516 -3.717 1.00 15.22 N ATOM 313 CA VAL A 23 -4.236 31.453 -3.009 1.00 31.41 C ATOM 314 C VAL A 23 -3.552 32.409 -3.979 1.00 75.24 C ATOM 315 O VAL A 23 -2.536 33.021 -3.652 1.00 41.51 O ATOM 316 CB VAL A 23 -3.160 30.715 -2.189 1.00 62.44 C ATOM 317 CG1 VAL A 23 -2.559 31.640 -1.143 1.00 10.31 C ATOM 318 CG2 VAL A 23 -3.746 29.471 -1.540 1.00 32.40 C ATOM 0 H VAL A 23 -6.093 30.610 -3.499 1.00 15.22 H new ATOM 0 HA VAL A 23 -4.873 32.021 -2.331 1.00 31.41 H new ATOM 0 HB VAL A 23 -2.363 30.403 -2.864 1.00 62.44 H new ATOM 0 HG11 VAL A 23 -1.801 31.102 -0.574 1.00 10.31 H new ATOM 0 HG12 VAL A 23 -2.101 32.498 -1.636 1.00 10.31 H new ATOM 0 HG13 VAL A 23 -3.343 31.985 -0.469 1.00 10.31 H new ATOM 0 HG21 VAL A 23 -2.973 28.962 -0.965 1.00 32.40 H new ATOM 0 HG22 VAL A 23 -4.562 29.757 -0.877 1.00 32.40 H new ATOM 0 HG23 VAL A 23 -4.124 28.801 -2.313 1.00 32.40 H new ATOM 328 N GLY A 24 -4.118 32.536 -5.176 1.00 64.43 N ATOM 329 CA GLY A 24 -3.550 33.421 -6.176 1.00 65.02 C ATOM 330 C GLY A 24 -2.075 33.164 -6.406 1.00 63.03 C ATOM 331 O GLY A 24 -1.529 32.167 -5.934 1.00 31.55 O ATOM 0 H GLY A 24 -4.960 32.041 -5.471 1.00 64.43 H new ATOM 0 HA2 GLY A 24 -4.088 33.296 -7.115 1.00 65.02 H new ATOM 0 HA3 GLY A 24 -3.691 34.456 -5.863 1.00 65.02 H new ATOM 335 N GLY A 25 -1.425 34.065 -7.137 1.00 65.23 N ATOM 336 CA GLY A 25 -0.010 33.912 -7.418 1.00 71.11 C ATOM 337 C GLY A 25 0.257 33.528 -8.860 1.00 24.23 C ATOM 338 O GLY A 25 -0.675 33.313 -9.636 1.00 54.15 O ATOM 0 H GLY A 25 -1.854 34.898 -7.540 1.00 65.23 H new ATOM 0 HA2 GLY A 25 0.505 34.846 -7.193 1.00 71.11 H new ATOM 0 HA3 GLY A 25 0.408 33.151 -6.759 1.00 71.11 H new ATOM 342 N LYS A 26 1.532 33.441 -9.221 1.00 1.12 N ATOM 343 CA LYS A 26 1.921 33.079 -10.580 1.00 33.13 C ATOM 344 C LYS A 26 1.853 31.569 -10.782 1.00 21.43 C ATOM 345 O LYS A 26 2.331 30.799 -9.949 1.00 54.20 O ATOM 346 CB LYS A 26 3.335 33.581 -10.878 1.00 73.23 C ATOM 347 CG LYS A 26 3.382 35.025 -11.347 1.00 34.01 C ATOM 348 CD LYS A 26 2.943 35.155 -12.796 1.00 61.20 C ATOM 349 CE LYS A 26 4.052 35.727 -13.665 1.00 62.14 C ATOM 350 NZ LYS A 26 3.511 36.447 -14.852 1.00 4.05 N ATOM 0 H LYS A 26 2.315 33.616 -8.591 1.00 1.12 H new ATOM 0 HA LYS A 26 1.221 33.551 -11.269 1.00 33.13 H new ATOM 0 HB2 LYS A 26 3.944 33.480 -9.980 1.00 73.23 H new ATOM 0 HB3 LYS A 26 3.784 32.945 -11.641 1.00 73.23 H new ATOM 0 HG2 LYS A 26 2.737 35.635 -10.714 1.00 34.01 H new ATOM 0 HG3 LYS A 26 4.395 35.412 -11.237 1.00 34.01 H new ATOM 0 HD2 LYS A 26 2.648 34.177 -13.177 1.00 61.20 H new ATOM 0 HD3 LYS A 26 2.065 35.798 -12.855 1.00 61.20 H new ATOM 0 HE2 LYS A 26 4.662 36.409 -13.073 1.00 62.14 H new ATOM 0 HE3 LYS A 26 4.706 34.921 -13.996 1.00 62.14 H new ATOM 0 HZ1 LYS A 26 4.298 36.822 -15.419 1.00 4.05 H new ATOM 0 HZ2 LYS A 26 2.950 35.790 -15.431 1.00 4.05 H new ATOM 0 HZ3 LYS A 26 2.907 37.232 -14.536 1.00 4.05 H new ATOM 364 N SER A 27 1.256 31.152 -11.894 1.00 62.11 N ATOM 365 CA SER A 27 1.124 29.734 -12.204 1.00 23.21 C ATOM 366 C SER A 27 0.505 28.977 -11.033 1.00 2.12 C ATOM 367 O SER A 27 1.140 28.108 -10.434 1.00 0.50 O ATOM 368 CB SER A 27 2.489 29.135 -12.548 1.00 70.02 C ATOM 369 OG SER A 27 2.796 29.320 -13.920 1.00 34.33 O ATOM 0 H SER A 27 0.856 31.776 -12.595 1.00 62.11 H new ATOM 0 HA SER A 27 0.465 29.637 -13.067 1.00 23.21 H new ATOM 0 HB2 SER A 27 3.259 29.601 -11.934 1.00 70.02 H new ATOM 0 HB3 SER A 27 2.493 28.071 -12.311 1.00 70.02 H new ATOM 0 HG SER A 27 3.674 28.930 -14.114 1.00 34.33 H new ATOM 375 N LYS A 28 -0.740 29.312 -10.712 1.00 15.42 N ATOM 376 CA LYS A 28 -1.447 28.665 -9.613 1.00 20.10 C ATOM 377 C LYS A 28 -1.913 27.269 -10.014 1.00 31.52 C ATOM 378 O LYS A 28 -3.109 27.024 -10.173 1.00 42.12 O ATOM 379 CB LYS A 28 -2.648 29.512 -9.183 1.00 4.10 C ATOM 380 CG LYS A 28 -2.291 30.951 -8.856 1.00 34.13 C ATOM 381 CD LYS A 28 -3.222 31.929 -9.553 1.00 12.34 C ATOM 382 CE LYS A 28 -4.666 31.729 -9.119 1.00 73.32 C ATOM 383 NZ LYS A 28 -5.481 32.959 -9.323 1.00 70.40 N ATOM 0 H LYS A 28 -1.280 30.028 -11.197 1.00 15.42 H new ATOM 0 HA LYS A 28 -0.757 28.572 -8.774 1.00 20.10 H new ATOM 0 HB2 LYS A 28 -3.392 29.503 -9.979 1.00 4.10 H new ATOM 0 HB3 LYS A 28 -3.111 29.054 -8.309 1.00 4.10 H new ATOM 0 HG2 LYS A 28 -2.343 31.104 -7.778 1.00 34.13 H new ATOM 0 HG3 LYS A 28 -1.262 31.149 -9.157 1.00 34.13 H new ATOM 0 HD2 LYS A 28 -2.912 32.950 -9.330 1.00 12.34 H new ATOM 0 HD3 LYS A 28 -3.144 31.801 -10.633 1.00 12.34 H new ATOM 0 HE2 LYS A 28 -5.104 30.905 -9.683 1.00 73.32 H new ATOM 0 HE3 LYS A 28 -4.693 31.445 -8.067 1.00 73.32 H new ATOM 0 HZ1 LYS A 28 -5.907 33.247 -8.419 1.00 70.40 H new ATOM 0 HZ2 LYS A 28 -4.872 33.724 -9.678 1.00 70.40 H new ATOM 0 HZ3 LYS A 28 -6.233 32.766 -10.015 1.00 70.40 H new ATOM 397 N LYS A 29 -0.961 26.355 -10.173 1.00 60.33 N ATOM 398 CA LYS A 29 -1.274 24.983 -10.552 1.00 4.23 C ATOM 399 C LYS A 29 -0.486 23.991 -9.702 1.00 23.32 C ATOM 400 O LYS A 29 0.652 24.256 -9.316 1.00 54.04 O ATOM 401 CB LYS A 29 -0.965 24.758 -12.035 1.00 35.12 C ATOM 402 CG LYS A 29 0.499 24.954 -12.387 1.00 2.33 C ATOM 403 CD LYS A 29 0.727 24.876 -13.887 1.00 44.14 C ATOM 404 CE LYS A 29 0.639 26.249 -14.536 1.00 54.00 C ATOM 405 NZ LYS A 29 0.972 26.199 -15.986 1.00 53.21 N ATOM 0 H LYS A 29 0.034 26.540 -10.045 1.00 60.33 H new ATOM 0 HA LYS A 29 -2.338 24.819 -10.380 1.00 4.23 H new ATOM 0 HB2 LYS A 29 -1.264 23.747 -12.311 1.00 35.12 H new ATOM 0 HB3 LYS A 29 -1.568 25.443 -12.631 1.00 35.12 H new ATOM 0 HG2 LYS A 29 0.837 25.922 -12.017 1.00 2.33 H new ATOM 0 HG3 LYS A 29 1.099 24.194 -11.887 1.00 2.33 H new ATOM 0 HD2 LYS A 29 1.707 24.441 -14.085 1.00 44.14 H new ATOM 0 HD3 LYS A 29 -0.013 24.213 -14.335 1.00 44.14 H new ATOM 0 HE2 LYS A 29 -0.367 26.647 -14.408 1.00 54.00 H new ATOM 0 HE3 LYS A 29 1.320 26.934 -14.030 1.00 54.00 H new ATOM 0 HZ1 LYS A 29 0.901 27.154 -16.392 1.00 53.21 H new ATOM 0 HZ2 LYS A 29 1.942 25.843 -16.107 1.00 53.21 H new ATOM 0 HZ3 LYS A 29 0.307 25.565 -16.473 1.00 53.21 H new ATOM 419 N PHE A 30 -1.099 22.848 -9.415 1.00 1.23 N ATOM 420 CA PHE A 30 -0.454 21.816 -8.611 1.00 21.14 C ATOM 421 C PHE A 30 0.703 21.177 -9.372 1.00 1.45 C ATOM 422 O PHE A 30 1.001 21.557 -10.503 1.00 5.33 O ATOM 423 CB PHE A 30 -1.470 20.743 -8.209 1.00 74.22 C ATOM 424 CG PHE A 30 -1.929 20.857 -6.784 1.00 61.23 C ATOM 425 CD1 PHE A 30 -1.164 20.339 -5.751 1.00 41.43 C ATOM 426 CD2 PHE A 30 -3.128 21.480 -6.476 1.00 51.32 C ATOM 427 CE1 PHE A 30 -1.583 20.443 -4.439 1.00 21.42 C ATOM 428 CE2 PHE A 30 -3.553 21.586 -5.165 1.00 53.01 C ATOM 429 CZ PHE A 30 -2.780 21.065 -4.145 1.00 72.14 C ATOM 0 H PHE A 30 -2.041 22.613 -9.727 1.00 1.23 H new ATOM 0 HA PHE A 30 -0.058 22.287 -7.711 1.00 21.14 H new ATOM 0 HB2 PHE A 30 -2.336 20.809 -8.868 1.00 74.22 H new ATOM 0 HB3 PHE A 30 -1.027 19.759 -8.362 1.00 74.22 H new ATOM 0 HD1 PHE A 30 -0.229 19.848 -5.975 1.00 41.43 H new ATOM 0 HD2 PHE A 30 -3.737 21.887 -7.269 1.00 51.32 H new ATOM 0 HE1 PHE A 30 -0.975 20.038 -3.644 1.00 21.42 H new ATOM 0 HE2 PHE A 30 -4.488 22.076 -4.938 1.00 53.01 H new ATOM 0 HZ PHE A 30 -3.111 21.144 -3.120 1.00 72.14 H new ATOM 439 N GLY A 31 1.352 20.202 -8.742 1.00 52.11 N ATOM 440 CA GLY A 31 2.469 19.525 -9.374 1.00 55.52 C ATOM 441 C GLY A 31 3.014 18.391 -8.529 1.00 53.12 C ATOM 442 O GLY A 31 2.677 18.270 -7.351 1.00 2.51 O ATOM 0 H GLY A 31 1.124 19.869 -7.805 1.00 52.11 H new ATOM 0 HA2 GLY A 31 2.153 19.134 -10.341 1.00 55.52 H new ATOM 0 HA3 GLY A 31 3.264 20.245 -9.566 1.00 55.52 H new ATOM 446 N GLU A 32 3.856 17.558 -9.131 1.00 44.31 N ATOM 447 CA GLU A 32 4.445 16.426 -8.426 1.00 12.45 C ATOM 448 C GLU A 32 5.200 16.891 -7.184 1.00 32.41 C ATOM 449 O GLU A 32 5.046 16.326 -6.102 1.00 1.41 O ATOM 450 CB GLU A 32 5.389 15.654 -9.351 1.00 13.35 C ATOM 451 CG GLU A 32 6.445 16.528 -10.008 1.00 65.31 C ATOM 452 CD GLU A 32 7.224 15.793 -11.082 1.00 21.54 C ATOM 453 OE1 GLU A 32 6.841 15.895 -12.265 1.00 44.05 O ATOM 454 OE2 GLU A 32 8.216 15.116 -10.738 1.00 63.55 O ATOM 0 H GLU A 32 4.146 17.646 -10.105 1.00 44.31 H new ATOM 0 HA GLU A 32 3.636 15.766 -8.113 1.00 12.45 H new ATOM 0 HB2 GLU A 32 5.883 14.869 -8.779 1.00 13.35 H new ATOM 0 HB3 GLU A 32 4.802 15.162 -10.127 1.00 13.35 H new ATOM 0 HG2 GLU A 32 5.966 17.403 -10.447 1.00 65.31 H new ATOM 0 HG3 GLU A 32 7.136 16.891 -9.247 1.00 65.31 H new ATOM 461 N GLY A 33 6.018 17.927 -7.349 1.00 65.11 N ATOM 462 CA GLY A 33 6.785 18.452 -6.235 1.00 10.42 C ATOM 463 C GLY A 33 5.904 19.009 -5.135 1.00 64.41 C ATOM 464 O GLY A 33 6.047 18.641 -3.970 1.00 55.20 O ATOM 0 H GLY A 33 6.163 18.412 -8.235 1.00 65.11 H new ATOM 0 HA2 GLY A 33 7.414 17.661 -5.827 1.00 10.42 H new ATOM 0 HA3 GLY A 33 7.451 19.236 -6.594 1.00 10.42 H new ATOM 468 N ASN A 34 4.990 19.900 -5.506 1.00 23.33 N ATOM 469 CA ASN A 34 4.083 20.511 -4.540 1.00 64.30 C ATOM 470 C ASN A 34 3.252 19.448 -3.826 1.00 10.24 C ATOM 471 O ASN A 34 3.021 19.533 -2.620 1.00 13.35 O ATOM 472 CB ASN A 34 3.159 21.510 -5.239 1.00 72.42 C ATOM 473 CG ASN A 34 2.814 22.693 -4.356 1.00 31.32 C ATOM 474 OD1 ASN A 34 3.696 23.418 -3.897 1.00 12.52 O ATOM 475 ND2 ASN A 34 1.523 22.894 -4.113 1.00 2.32 N ATOM 0 H ASN A 34 4.858 20.215 -6.467 1.00 23.33 H new ATOM 0 HA ASN A 34 4.683 21.038 -3.798 1.00 64.30 H new ATOM 0 HB2 ASN A 34 3.638 21.868 -6.150 1.00 72.42 H new ATOM 0 HB3 ASN A 34 2.241 21.004 -5.539 1.00 72.42 H new ATOM 0 HD21 ASN A 34 1.230 23.675 -3.525 1.00 2.32 H new ATOM 0 HD22 ASN A 34 0.825 22.268 -4.514 1.00 2.32 H new ATOM 482 N PHE A 35 2.807 18.448 -4.579 1.00 51.41 N ATOM 483 CA PHE A 35 2.002 17.369 -4.018 1.00 42.20 C ATOM 484 C PHE A 35 2.751 16.660 -2.892 1.00 53.13 C ATOM 485 O PHE A 35 2.186 16.385 -1.834 1.00 61.30 O ATOM 486 CB PHE A 35 1.629 16.363 -5.109 1.00 31.05 C ATOM 487 CG PHE A 35 1.011 15.102 -4.576 1.00 34.43 C ATOM 488 CD1 PHE A 35 1.476 13.862 -4.981 1.00 64.52 C ATOM 489 CD2 PHE A 35 -0.036 15.158 -3.669 1.00 1.14 C ATOM 490 CE1 PHE A 35 0.910 12.699 -4.492 1.00 50.12 C ATOM 491 CE2 PHE A 35 -0.606 13.999 -3.176 1.00 13.24 C ATOM 492 CZ PHE A 35 -0.133 12.768 -3.589 1.00 61.31 C ATOM 0 H PHE A 35 2.990 18.362 -5.579 1.00 51.41 H new ATOM 0 HA PHE A 35 1.091 17.805 -3.607 1.00 42.20 H new ATOM 0 HB2 PHE A 35 0.933 16.834 -5.803 1.00 31.05 H new ATOM 0 HB3 PHE A 35 2.523 16.108 -5.678 1.00 31.05 H new ATOM 0 HD1 PHE A 35 2.291 13.803 -5.687 1.00 64.52 H new ATOM 0 HD2 PHE A 35 -0.410 16.117 -3.344 1.00 1.14 H new ATOM 0 HE1 PHE A 35 1.283 11.738 -4.816 1.00 50.12 H new ATOM 0 HE2 PHE A 35 -1.420 14.056 -2.469 1.00 13.24 H new ATOM 0 HZ PHE A 35 -0.578 11.861 -3.206 1.00 61.31 H new ATOM 502 N ARG A 36 4.026 16.368 -3.130 1.00 75.45 N ATOM 503 CA ARG A 36 4.851 15.691 -2.138 1.00 54.43 C ATOM 504 C ARG A 36 4.983 16.534 -0.872 1.00 24.43 C ATOM 505 O ARG A 36 4.701 16.063 0.230 1.00 23.41 O ATOM 506 CB ARG A 36 6.238 15.397 -2.712 1.00 43.41 C ATOM 507 CG ARG A 36 6.203 14.658 -4.040 1.00 44.23 C ATOM 508 CD ARG A 36 6.920 13.320 -3.953 1.00 41.44 C ATOM 509 NE ARG A 36 8.360 13.482 -3.774 1.00 40.31 N ATOM 510 CZ ARG A 36 9.230 12.483 -3.873 1.00 42.35 C ATOM 511 NH1 ARG A 36 8.808 11.257 -4.149 1.00 44.43 N ATOM 512 NH2 ARG A 36 10.526 12.710 -3.696 1.00 41.45 N ATOM 0 H ARG A 36 4.509 16.590 -4.001 1.00 75.45 H new ATOM 0 HA ARG A 36 4.364 14.751 -1.879 1.00 54.43 H new ATOM 0 HB2 ARG A 36 6.775 16.337 -2.843 1.00 43.41 H new ATOM 0 HB3 ARG A 36 6.802 14.805 -1.991 1.00 43.41 H new ATOM 0 HG2 ARG A 36 5.168 14.498 -4.341 1.00 44.23 H new ATOM 0 HG3 ARG A 36 6.668 15.272 -4.811 1.00 44.23 H new ATOM 0 HD2 ARG A 36 6.514 12.744 -3.121 1.00 41.44 H new ATOM 0 HD3 ARG A 36 6.730 12.747 -4.860 1.00 41.44 H new ATOM 0 HE ARG A 36 8.718 14.413 -3.561 1.00 40.31 H new ATOM 0 HH11 ARG A 36 7.813 11.079 -4.286 1.00 44.43 H new ATOM 0 HH12 ARG A 36 9.478 10.492 -4.224 1.00 44.43 H new ATOM 0 HH21 ARG A 36 10.854 13.652 -3.484 1.00 41.45 H new ATOM 0 HH22 ARG A 36 11.193 11.942 -3.772 1.00 41.45 H new ATOM 526 N TRP A 37 5.412 17.779 -1.039 1.00 24.54 N ATOM 527 CA TRP A 37 5.580 18.686 0.090 1.00 15.40 C ATOM 528 C TRP A 37 4.307 18.758 0.927 1.00 44.24 C ATOM 529 O TRP A 37 4.362 18.946 2.141 1.00 75.21 O ATOM 530 CB TRP A 37 5.960 20.083 -0.404 1.00 73.53 C ATOM 531 CG TRP A 37 5.854 21.138 0.656 1.00 62.11 C ATOM 532 CD1 TRP A 37 6.873 21.651 1.407 1.00 62.54 C ATOM 533 CD2 TRP A 37 4.661 21.806 1.082 1.00 13.03 C ATOM 534 NE1 TRP A 37 6.385 22.598 2.275 1.00 20.34 N ATOM 535 CE2 TRP A 37 5.032 22.713 2.096 1.00 2.40 C ATOM 536 CE3 TRP A 37 3.317 21.729 0.706 1.00 14.34 C ATOM 537 CZ2 TRP A 37 4.106 23.532 2.735 1.00 32.42 C ATOM 538 CZ3 TRP A 37 2.400 22.543 1.343 1.00 73.44 C ATOM 539 CH2 TRP A 37 2.797 23.436 2.347 1.00 12.52 C ATOM 0 H TRP A 37 5.650 18.184 -1.945 1.00 24.54 H new ATOM 0 HA TRP A 37 6.383 18.299 0.718 1.00 15.40 H new ATOM 0 HB2 TRP A 37 6.982 20.061 -0.783 1.00 73.53 H new ATOM 0 HB3 TRP A 37 5.315 20.353 -1.240 1.00 73.53 H new ATOM 0 HD1 TRP A 37 7.909 21.356 1.330 1.00 62.54 H new ATOM 0 HE1 TRP A 37 6.941 23.130 2.945 1.00 20.34 H new ATOM 0 HE3 TRP A 37 3.001 21.046 -0.068 1.00 14.34 H new ATOM 0 HZ2 TRP A 37 4.410 24.220 3.510 1.00 32.42 H new ATOM 0 HZ3 TRP A 37 1.359 22.490 1.062 1.00 73.44 H new ATOM 0 HH2 TRP A 37 2.056 24.060 2.824 1.00 12.52 H new ATOM 550 N ALA A 38 3.163 18.607 0.267 1.00 24.33 N ATOM 551 CA ALA A 38 1.876 18.652 0.951 1.00 54.33 C ATOM 552 C ALA A 38 1.557 17.314 1.609 1.00 42.20 C ATOM 553 O ALA A 38 1.474 17.218 2.834 1.00 50.02 O ATOM 554 CB ALA A 38 0.775 19.040 -0.024 1.00 21.34 C ATOM 0 H ALA A 38 3.101 18.453 -0.739 1.00 24.33 H new ATOM 0 HA ALA A 38 1.934 19.407 1.735 1.00 54.33 H new ATOM 0 HB1 ALA A 38 -0.181 19.070 0.499 1.00 21.34 H new ATOM 0 HB2 ALA A 38 0.990 20.023 -0.443 1.00 21.34 H new ATOM 0 HB3 ALA A 38 0.725 18.306 -0.828 1.00 21.34 H new ATOM 560 N ILE A 39 1.378 16.284 0.789 1.00 62.23 N ATOM 561 CA ILE A 39 1.068 14.953 1.291 1.00 4.35 C ATOM 562 C ILE A 39 2.039 14.541 2.393 1.00 45.42 C ATOM 563 O ILE A 39 1.664 13.848 3.339 1.00 40.14 O ATOM 564 CB ILE A 39 1.110 13.901 0.167 1.00 65.23 C ATOM 565 CG1 ILE A 39 0.589 12.556 0.675 1.00 12.44 C ATOM 566 CG2 ILE A 39 2.525 13.758 -0.373 1.00 14.52 C ATOM 567 CD1 ILE A 39 -0.033 11.700 -0.405 1.00 42.21 C ATOM 0 H ILE A 39 1.443 16.347 -0.227 1.00 62.23 H new ATOM 0 HA ILE A 39 0.057 14.998 1.697 1.00 4.35 H new ATOM 0 HB ILE A 39 0.464 14.235 -0.645 1.00 65.23 H new ATOM 0 HG12 ILE A 39 1.412 12.007 1.133 1.00 12.44 H new ATOM 0 HG13 ILE A 39 -0.150 12.734 1.456 1.00 12.44 H new ATOM 0 HG21 ILE A 39 2.538 13.011 -1.167 1.00 14.52 H new ATOM 0 HG22 ILE A 39 2.861 14.716 -0.771 1.00 14.52 H new ATOM 0 HG23 ILE A 39 3.191 13.445 0.431 1.00 14.52 H new ATOM 0 HD11 ILE A 39 -0.380 10.762 0.029 1.00 42.21 H new ATOM 0 HD12 ILE A 39 -0.877 12.229 -0.848 1.00 42.21 H new ATOM 0 HD13 ILE A 39 0.709 11.491 -1.176 1.00 42.21 H new ATOM 579 N ARG A 40 3.290 14.972 2.263 1.00 42.14 N ATOM 580 CA ARG A 40 4.315 14.649 3.247 1.00 41.10 C ATOM 581 C ARG A 40 4.124 15.469 4.520 1.00 11.13 C ATOM 582 O ARG A 40 4.024 14.917 5.616 1.00 54.11 O ATOM 583 CB ARG A 40 5.707 14.905 2.668 1.00 44.32 C ATOM 584 CG ARG A 40 6.838 14.562 3.624 1.00 13.20 C ATOM 585 CD ARG A 40 7.839 15.702 3.734 1.00 55.21 C ATOM 586 NE ARG A 40 8.731 15.539 4.879 1.00 23.43 N ATOM 587 CZ ARG A 40 9.870 16.205 5.023 1.00 35.55 C ATOM 588 NH1 ARG A 40 10.255 17.075 4.101 1.00 34.04 N ATOM 589 NH2 ARG A 40 10.627 16.002 6.094 1.00 31.05 N ATOM 0 H ARG A 40 3.617 15.546 1.486 1.00 42.14 H new ATOM 0 HA ARG A 40 4.222 13.592 3.498 1.00 41.10 H new ATOM 0 HB2 ARG A 40 5.824 14.321 1.755 1.00 44.32 H new ATOM 0 HB3 ARG A 40 5.787 15.955 2.387 1.00 44.32 H new ATOM 0 HG2 ARG A 40 6.428 14.340 4.609 1.00 13.20 H new ATOM 0 HG3 ARG A 40 7.347 13.662 3.280 1.00 13.20 H new ATOM 0 HD2 ARG A 40 8.429 15.755 2.819 1.00 55.21 H new ATOM 0 HD3 ARG A 40 7.304 16.647 3.823 1.00 55.21 H new ATOM 0 HE ARG A 40 8.464 14.877 5.608 1.00 23.43 H new ATOM 0 HH11 ARG A 40 9.675 17.235 3.277 1.00 34.04 H new ATOM 0 HH12 ARG A 40 11.131 17.585 4.215 1.00 34.04 H new ATOM 0 HH21 ARG A 40 10.334 15.334 6.807 1.00 31.05 H new ATOM 0 HH22 ARG A 40 11.502 16.514 6.204 1.00 31.05 H new ATOM 603 N MET A 41 4.076 16.788 4.367 1.00 25.52 N ATOM 604 CA MET A 41 3.896 17.683 5.505 1.00 65.32 C ATOM 605 C MET A 41 2.642 17.316 6.292 1.00 63.01 C ATOM 606 O MET A 41 2.632 17.368 7.521 1.00 13.44 O ATOM 607 CB MET A 41 3.807 19.134 5.029 1.00 32.13 C ATOM 608 CG MET A 41 3.697 20.139 6.165 1.00 63.34 C ATOM 609 SD MET A 41 5.258 20.378 7.035 1.00 30.25 S ATOM 610 CE MET A 41 4.733 20.159 8.734 1.00 15.03 C ATOM 0 H MET A 41 4.159 17.261 3.467 1.00 25.52 H new ATOM 0 HA MET A 41 4.760 17.575 6.161 1.00 65.32 H new ATOM 0 HB2 MET A 41 4.689 19.367 4.432 1.00 32.13 H new ATOM 0 HB3 MET A 41 2.942 19.241 4.375 1.00 32.13 H new ATOM 0 HG2 MET A 41 3.357 21.095 5.767 1.00 63.34 H new ATOM 0 HG3 MET A 41 2.940 19.801 6.872 1.00 63.34 H new ATOM 0 HE1 MET A 41 5.590 20.277 9.398 1.00 15.03 H new ATOM 0 HE2 MET A 41 3.977 20.905 8.980 1.00 15.03 H new ATOM 0 HE3 MET A 41 4.312 19.161 8.859 1.00 15.03 H new ATOM 620 N ALA A 42 1.585 16.946 5.576 1.00 11.41 N ATOM 621 CA ALA A 42 0.327 16.569 6.208 1.00 40.53 C ATOM 622 C ALA A 42 0.463 15.247 6.955 1.00 55.03 C ATOM 623 O ALA A 42 -0.053 15.092 8.061 1.00 73.33 O ATOM 624 CB ALA A 42 -0.780 16.479 5.169 1.00 50.55 C ATOM 0 H ALA A 42 1.575 16.899 4.557 1.00 11.41 H new ATOM 0 HA ALA A 42 0.067 17.341 6.933 1.00 40.53 H new ATOM 0 HB1 ALA A 42 -1.714 16.197 5.656 1.00 50.55 H new ATOM 0 HB2 ALA A 42 -0.902 17.447 4.683 1.00 50.55 H new ATOM 0 HB3 ALA A 42 -0.518 15.729 4.423 1.00 50.55 H new ATOM 630 N ASN A 43 1.160 14.295 6.343 1.00 33.33 N ATOM 631 CA ASN A 43 1.362 12.985 6.952 1.00 43.55 C ATOM 632 C ASN A 43 2.071 13.113 8.296 1.00 14.41 C ATOM 633 O ASN A 43 1.612 12.578 9.305 1.00 71.22 O ATOM 634 CB ASN A 43 2.175 12.087 6.016 1.00 0.11 C ATOM 635 CG ASN A 43 1.341 11.533 4.877 1.00 1.34 C ATOM 636 OD1 ASN A 43 0.111 11.585 4.911 1.00 13.41 O ATOM 637 ND2 ASN A 43 2.008 10.997 3.862 1.00 3.21 N ATOM 0 H ASN A 43 1.594 14.406 5.427 1.00 33.33 H new ATOM 0 HA ASN A 43 0.384 12.534 7.120 1.00 43.55 H new ATOM 0 HB2 ASN A 43 3.011 12.655 5.608 1.00 0.11 H new ATOM 0 HB3 ASN A 43 2.599 11.261 6.587 1.00 0.11 H new ATOM 0 HD21 ASN A 43 1.501 10.607 3.068 1.00 3.21 H new ATOM 0 HD22 ASN A 43 3.028 10.976 3.876 1.00 3.21 H new ATOM 644 N VAL A 44 3.194 13.825 8.301 1.00 31.43 N ATOM 645 CA VAL A 44 3.966 14.025 9.523 1.00 41.44 C ATOM 646 C VAL A 44 3.153 14.777 10.570 1.00 52.43 C ATOM 647 O VAL A 44 3.249 14.495 11.765 1.00 40.13 O ATOM 648 CB VAL A 44 5.267 14.802 9.243 1.00 43.03 C ATOM 649 CG1 VAL A 44 6.114 14.894 10.502 1.00 55.04 C ATOM 650 CG2 VAL A 44 6.046 14.145 8.113 1.00 72.21 C ATOM 0 H VAL A 44 3.589 14.272 7.474 1.00 31.43 H new ATOM 0 HA VAL A 44 4.217 13.035 9.905 1.00 41.44 H new ATOM 0 HB VAL A 44 5.007 15.814 8.934 1.00 43.03 H new ATOM 0 HG11 VAL A 44 7.029 15.446 10.286 1.00 55.04 H new ATOM 0 HG12 VAL A 44 5.554 15.412 11.281 1.00 55.04 H new ATOM 0 HG13 VAL A 44 6.368 13.891 10.844 1.00 55.04 H new ATOM 0 HG21 VAL A 44 6.962 14.706 7.928 1.00 72.21 H new ATOM 0 HG22 VAL A 44 6.298 13.122 8.391 1.00 72.21 H new ATOM 0 HG23 VAL A 44 5.437 14.136 7.209 1.00 72.21 H new ATOM 660 N SER A 45 2.352 15.735 10.114 1.00 35.21 N ATOM 661 CA SER A 45 1.525 16.531 11.012 1.00 23.42 C ATOM 662 C SER A 45 0.497 15.655 11.724 1.00 2.31 C ATOM 663 O SER A 45 0.005 16.001 12.798 1.00 34.03 O ATOM 664 CB SER A 45 0.814 17.642 10.236 1.00 5.41 C ATOM 665 OG SER A 45 1.746 18.563 9.697 1.00 60.33 O ATOM 0 H SER A 45 2.259 15.978 9.128 1.00 35.21 H new ATOM 0 HA SER A 45 2.176 16.981 11.762 1.00 23.42 H new ATOM 0 HB2 SER A 45 0.221 17.206 9.432 1.00 5.41 H new ATOM 0 HB3 SER A 45 0.121 18.165 10.895 1.00 5.41 H new ATOM 0 HG SER A 45 2.060 18.239 8.827 1.00 60.33 H new ATOM 671 N THR A 46 0.177 14.517 11.116 1.00 42.11 N ATOM 672 CA THR A 46 -0.792 13.591 11.689 1.00 42.54 C ATOM 673 C THR A 46 -0.095 12.438 12.402 1.00 5.15 C ATOM 674 O THR A 46 -0.644 11.344 12.517 1.00 21.34 O ATOM 675 CB THR A 46 -1.729 13.019 10.608 1.00 55.33 C ATOM 676 OG1 THR A 46 -0.981 12.697 9.430 1.00 51.32 O ATOM 677 CG2 THR A 46 -2.825 14.015 10.261 1.00 33.33 C ATOM 0 H THR A 46 0.575 14.215 10.227 1.00 42.11 H new ATOM 0 HA THR A 46 -1.383 14.157 12.410 1.00 42.54 H new ATOM 0 HB THR A 46 -2.192 12.114 11.002 1.00 55.33 H new ATOM 0 HG1 THR A 46 -0.050 12.514 9.674 1.00 51.32 H new ATOM 0 HG21 THR A 46 -3.474 13.590 9.496 1.00 33.33 H new ATOM 0 HG22 THR A 46 -3.412 14.236 11.153 1.00 33.33 H new ATOM 0 HG23 THR A 46 -2.376 14.934 9.885 1.00 33.33 H new ATOM 685 N GLY A 47 1.120 12.691 12.880 1.00 70.00 N ATOM 686 CA GLY A 47 1.872 11.664 13.577 1.00 20.10 C ATOM 687 C GLY A 47 2.159 10.460 12.701 1.00 12.20 C ATOM 688 O GLY A 47 2.474 9.381 13.202 1.00 14.15 O ATOM 0 H GLY A 47 1.597 13.589 12.797 1.00 70.00 H new ATOM 0 HA2 GLY A 47 2.813 12.084 13.931 1.00 20.10 H new ATOM 0 HA3 GLY A 47 1.315 11.344 14.457 1.00 20.10 H new ATOM 692 N ARG A 48 2.048 10.645 11.390 1.00 51.33 N ATOM 693 CA ARG A 48 2.296 9.564 10.443 1.00 64.34 C ATOM 694 C ARG A 48 3.684 9.692 9.823 1.00 13.14 C ATOM 695 O ARG A 48 4.135 10.793 9.507 1.00 20.31 O ATOM 696 CB ARG A 48 1.233 9.569 9.343 1.00 24.43 C ATOM 697 CG ARG A 48 -0.185 9.741 9.866 1.00 0.23 C ATOM 698 CD ARG A 48 -1.207 9.646 8.745 1.00 21.54 C ATOM 699 NE ARG A 48 -2.534 9.294 9.244 1.00 63.14 N ATOM 700 CZ ARG A 48 -2.854 8.085 9.694 1.00 15.51 C ATOM 701 NH1 ARG A 48 -1.945 7.119 9.710 1.00 63.43 N ATOM 702 NH2 ARG A 48 -4.083 7.843 10.132 1.00 1.41 N ATOM 0 H ARG A 48 1.788 11.532 10.959 1.00 51.33 H new ATOM 0 HA ARG A 48 2.245 8.620 10.986 1.00 64.34 H new ATOM 0 HB2 ARG A 48 1.452 10.374 8.641 1.00 24.43 H new ATOM 0 HB3 ARG A 48 1.295 8.634 8.786 1.00 24.43 H new ATOM 0 HG2 ARG A 48 -0.393 8.977 10.615 1.00 0.23 H new ATOM 0 HG3 ARG A 48 -0.276 10.707 10.362 1.00 0.23 H new ATOM 0 HD2 ARG A 48 -1.258 10.599 8.219 1.00 21.54 H new ATOM 0 HD3 ARG A 48 -0.882 8.899 8.020 1.00 21.54 H new ATOM 0 HE ARG A 48 -3.255 10.016 9.247 1.00 63.14 H new ATOM 0 HH11 ARG A 48 -0.999 7.303 9.377 1.00 63.43 H new ATOM 0 HH12 ARG A 48 -2.192 6.192 10.056 1.00 63.43 H new ATOM 0 HH21 ARG A 48 -4.783 8.585 10.123 1.00 1.41 H new ATOM 0 HH22 ARG A 48 -4.328 6.915 10.477 1.00 1.41 H new ATOM 716 N GLU A 49 4.356 8.558 9.653 1.00 54.31 N ATOM 717 CA GLU A 49 5.695 8.544 9.072 1.00 22.52 C ATOM 718 C GLU A 49 5.721 9.303 7.749 1.00 52.44 C ATOM 719 O GLU A 49 4.692 9.526 7.111 1.00 34.24 O ATOM 720 CB GLU A 49 6.166 7.104 8.857 1.00 1.11 C ATOM 721 CG GLU A 49 7.041 6.576 9.981 1.00 4.52 C ATOM 722 CD GLU A 49 6.636 5.185 10.430 1.00 14.23 C ATOM 723 OE1 GLU A 49 6.551 4.960 11.656 1.00 15.22 O ATOM 724 OE2 GLU A 49 6.407 4.323 9.558 1.00 25.31 O ATOM 0 H GLU A 49 3.997 7.638 9.909 1.00 54.31 H new ATOM 0 HA GLU A 49 6.372 9.039 9.768 1.00 22.52 H new ATOM 0 HB2 GLU A 49 5.295 6.458 8.752 1.00 1.11 H new ATOM 0 HB3 GLU A 49 6.720 7.048 7.920 1.00 1.11 H new ATOM 0 HG2 GLU A 49 8.080 6.559 9.651 1.00 4.52 H new ATOM 0 HG3 GLU A 49 6.987 7.258 10.830 1.00 4.52 H new ATOM 731 N PRO A 50 6.927 9.710 7.325 1.00 65.24 N ATOM 732 CA PRO A 50 7.118 10.450 6.074 1.00 60.25 C ATOM 733 C PRO A 50 6.870 9.584 4.844 1.00 71.01 C ATOM 734 O PRO A 50 6.474 10.082 3.791 1.00 11.13 O ATOM 735 CB PRO A 50 8.585 10.882 6.137 1.00 3.22 C ATOM 736 CG PRO A 50 9.237 9.877 7.024 1.00 1.41 C ATOM 737 CD PRO A 50 8.197 9.479 8.034 1.00 21.24 C ATOM 0 HA PRO A 50 6.419 11.281 5.982 1.00 60.25 H new ATOM 0 HB2 PRO A 50 9.039 10.889 5.146 1.00 3.22 H new ATOM 0 HB3 PRO A 50 8.684 11.890 6.540 1.00 3.22 H new ATOM 0 HG2 PRO A 50 9.576 9.013 6.452 1.00 1.41 H new ATOM 0 HG3 PRO A 50 10.115 10.300 7.513 1.00 1.41 H new ATOM 0 HD2 PRO A 50 8.306 8.437 8.334 1.00 21.24 H new ATOM 0 HD3 PRO A 50 8.266 10.080 8.941 1.00 21.24 H new ATOM 745 N GLY A 51 7.104 8.283 4.985 1.00 0.44 N ATOM 746 CA GLY A 51 6.900 7.368 3.877 1.00 61.11 C ATOM 747 C GLY A 51 5.477 6.852 3.807 1.00 64.32 C ATOM 748 O GLY A 51 5.251 5.645 3.709 1.00 71.42 O ATOM 0 H GLY A 51 7.431 7.846 5.847 1.00 0.44 H new ATOM 0 HA2 GLY A 51 7.147 7.873 2.943 1.00 61.11 H new ATOM 0 HA3 GLY A 51 7.585 6.525 3.975 1.00 61.11 H new ATOM 752 N ASP A 52 4.515 7.766 3.857 1.00 65.42 N ATOM 753 CA ASP A 52 3.105 7.396 3.799 1.00 71.22 C ATOM 754 C ASP A 52 2.520 7.700 2.423 1.00 61.54 C ATOM 755 O ASP A 52 2.296 8.861 2.076 1.00 61.20 O ATOM 756 CB ASP A 52 2.316 8.140 4.877 1.00 31.42 C ATOM 757 CG ASP A 52 1.962 7.250 6.053 1.00 13.40 C ATOM 758 OD1 ASP A 52 2.742 7.217 7.029 1.00 41.14 O ATOM 759 OD2 ASP A 52 0.906 6.587 5.999 1.00 44.21 O ATOM 0 H ASP A 52 4.685 8.768 3.938 1.00 65.42 H new ATOM 0 HA ASP A 52 3.028 6.324 3.978 1.00 71.22 H new ATOM 0 HB2 ASP A 52 2.901 8.989 5.231 1.00 31.42 H new ATOM 0 HB3 ASP A 52 1.402 8.542 4.441 1.00 31.42 H new ATOM 764 N ILE A 53 2.277 6.652 1.645 1.00 45.31 N ATOM 765 CA ILE A 53 1.718 6.808 0.306 1.00 11.03 C ATOM 766 C ILE A 53 0.314 6.219 0.225 1.00 21.05 C ATOM 767 O ILE A 53 0.095 5.149 -0.344 1.00 52.15 O ATOM 768 CB ILE A 53 2.608 6.135 -0.756 1.00 65.44 C ATOM 769 CG1 ILE A 53 4.043 6.655 -0.655 1.00 10.23 C ATOM 770 CG2 ILE A 53 2.047 6.381 -2.149 1.00 71.23 C ATOM 771 CD1 ILE A 53 4.159 8.150 -0.847 1.00 15.31 C ATOM 0 H ILE A 53 2.458 5.686 1.917 1.00 45.31 H new ATOM 0 HA ILE A 53 1.672 7.878 0.105 1.00 11.03 H new ATOM 0 HB ILE A 53 2.618 5.061 -0.573 1.00 65.44 H new ATOM 0 HG12 ILE A 53 4.449 6.390 0.321 1.00 10.23 H new ATOM 0 HG13 ILE A 53 4.656 6.152 -1.403 1.00 10.23 H new ATOM 0 HG21 ILE A 53 2.686 5.900 -2.889 1.00 71.23 H new ATOM 0 HG22 ILE A 53 1.041 5.967 -2.214 1.00 71.23 H new ATOM 0 HG23 ILE A 53 2.011 7.453 -2.343 1.00 71.23 H new ATOM 0 HD11 ILE A 53 5.204 8.448 -0.762 1.00 15.31 H new ATOM 0 HD12 ILE A 53 3.784 8.420 -1.834 1.00 15.31 H new ATOM 0 HD13 ILE A 53 3.573 8.661 -0.083 1.00 15.31 H new ATOM 783 N PRO A 54 -0.662 6.932 0.807 1.00 53.22 N ATOM 784 CA PRO A 54 -2.062 6.500 0.812 1.00 64.34 C ATOM 785 C PRO A 54 -2.697 6.577 -0.574 1.00 33.43 C ATOM 786 O PRO A 54 -2.417 7.494 -1.344 1.00 62.12 O ATOM 787 CB PRO A 54 -2.736 7.492 1.764 1.00 4.23 C ATOM 788 CG PRO A 54 -1.877 8.709 1.712 1.00 11.25 C ATOM 789 CD PRO A 54 -0.472 8.216 1.503 1.00 23.12 C ATOM 0 HA PRO A 54 -2.166 5.458 1.116 1.00 64.34 H new ATOM 0 HB2 PRO A 54 -3.756 7.713 1.449 1.00 4.23 H new ATOM 0 HB3 PRO A 54 -2.795 7.092 2.776 1.00 4.23 H new ATOM 0 HG2 PRO A 54 -2.184 9.369 0.900 1.00 11.25 H new ATOM 0 HG3 PRO A 54 -1.956 9.282 2.636 1.00 11.25 H new ATOM 0 HD2 PRO A 54 0.114 8.914 0.906 1.00 23.12 H new ATOM 0 HD3 PRO A 54 0.054 8.087 2.449 1.00 23.12 H new ATOM 797 N GLU A 55 -3.553 5.607 -0.881 1.00 74.33 N ATOM 798 CA GLU A 55 -4.228 5.566 -2.174 1.00 15.31 C ATOM 799 C GLU A 55 -5.634 4.991 -2.035 1.00 41.41 C ATOM 800 O GLU A 55 -6.056 4.152 -2.832 1.00 54.13 O ATOM 801 CB GLU A 55 -3.418 4.732 -3.169 1.00 22.51 C ATOM 802 CG GLU A 55 -3.687 5.087 -4.621 1.00 53.15 C ATOM 803 CD GLU A 55 -2.691 4.452 -5.571 1.00 43.30 C ATOM 804 OE1 GLU A 55 -1.912 5.198 -6.201 1.00 63.42 O ATOM 805 OE2 GLU A 55 -2.690 3.208 -5.685 1.00 10.24 O ATOM 0 H GLU A 55 -3.795 4.840 -0.253 1.00 74.33 H new ATOM 0 HA GLU A 55 -4.308 6.587 -2.547 1.00 15.31 H new ATOM 0 HB2 GLU A 55 -2.356 4.865 -2.962 1.00 22.51 H new ATOM 0 HB3 GLU A 55 -3.643 3.677 -3.014 1.00 22.51 H new ATOM 0 HG2 GLU A 55 -4.694 4.767 -4.889 1.00 53.15 H new ATOM 0 HG3 GLU A 55 -3.655 6.170 -4.738 1.00 53.15 H new ATOM 812 N THR A 56 -6.357 5.448 -1.018 1.00 34.25 N ATOM 813 CA THR A 56 -7.714 4.979 -0.772 1.00 62.24 C ATOM 814 C THR A 56 -8.582 6.087 -0.187 1.00 64.12 C ATOM 815 O THR A 56 -8.129 6.868 0.650 1.00 40.31 O ATOM 816 CB THR A 56 -7.728 3.773 0.185 1.00 23.42 C ATOM 817 OG1 THR A 56 -7.386 4.195 1.510 1.00 4.23 O ATOM 818 CG2 THR A 56 -6.752 2.702 -0.279 1.00 65.31 C ATOM 0 H THR A 56 -6.024 6.144 -0.350 1.00 34.25 H new ATOM 0 HA THR A 56 -8.121 4.673 -1.736 1.00 62.24 H new ATOM 0 HB THR A 56 -8.733 3.350 0.186 1.00 23.42 H new ATOM 0 HG1 THR A 56 -7.698 3.528 2.157 1.00 4.23 H new ATOM 0 HG21 THR A 56 -6.780 1.860 0.413 1.00 65.31 H new ATOM 0 HG22 THR A 56 -7.032 2.362 -1.276 1.00 65.31 H new ATOM 0 HG23 THR A 56 -5.744 3.116 -0.307 1.00 65.31 H new ATOM 826 N LEU A 57 -9.832 6.150 -0.633 1.00 72.24 N ATOM 827 CA LEU A 57 -10.765 7.164 -0.153 1.00 31.30 C ATOM 828 C LEU A 57 -10.821 7.174 1.372 1.00 43.15 C ATOM 829 O LEU A 57 -11.067 8.212 1.987 1.00 14.43 O ATOM 830 CB LEU A 57 -12.161 6.913 -0.725 1.00 32.40 C ATOM 831 CG LEU A 57 -12.886 8.136 -1.288 1.00 3.20 C ATOM 832 CD1 LEU A 57 -13.092 9.181 -0.204 1.00 40.03 C ATOM 833 CD2 LEU A 57 -12.109 8.723 -2.458 1.00 30.32 C ATOM 0 H LEU A 57 -10.223 5.511 -1.326 1.00 72.24 H new ATOM 0 HA LEU A 57 -10.411 8.138 -0.491 1.00 31.30 H new ATOM 0 HB2 LEU A 57 -12.079 6.168 -1.517 1.00 32.40 H new ATOM 0 HB3 LEU A 57 -12.780 6.478 0.059 1.00 32.40 H new ATOM 0 HG LEU A 57 -13.865 7.821 -1.649 1.00 3.20 H new ATOM 0 HD11 LEU A 57 -13.609 10.044 -0.624 1.00 40.03 H new ATOM 0 HD12 LEU A 57 -13.690 8.756 0.602 1.00 40.03 H new ATOM 0 HD13 LEU A 57 -12.124 9.494 0.188 1.00 40.03 H new ATOM 0 HD21 LEU A 57 -12.639 9.593 -2.847 1.00 30.32 H new ATOM 0 HD22 LEU A 57 -11.117 9.023 -2.122 1.00 30.32 H new ATOM 0 HD23 LEU A 57 -12.015 7.974 -3.244 1.00 30.32 H new ATOM 845 N ASP A 58 -10.590 6.013 1.974 1.00 5.32 N ATOM 846 CA ASP A 58 -10.611 5.888 3.427 1.00 20.13 C ATOM 847 C ASP A 58 -9.339 6.465 4.041 1.00 4.31 C ATOM 848 O ASP A 58 -9.370 7.043 5.125 1.00 34.42 O ATOM 849 CB ASP A 58 -10.769 4.422 3.832 1.00 2.24 C ATOM 850 CG ASP A 58 -11.460 4.262 5.171 1.00 11.43 C ATOM 851 OD1 ASP A 58 -11.769 3.111 5.547 1.00 51.40 O ATOM 852 OD2 ASP A 58 -11.691 5.287 5.845 1.00 74.30 O ATOM 0 H ASP A 58 -10.386 5.145 1.479 1.00 5.32 H new ATOM 0 HA ASP A 58 -11.463 6.454 3.803 1.00 20.13 H new ATOM 0 HB2 ASP A 58 -11.340 3.896 3.067 1.00 2.24 H new ATOM 0 HB3 ASP A 58 -9.786 3.952 3.875 1.00 2.24 H new ATOM 857 N GLN A 59 -8.223 6.301 3.338 1.00 2.13 N ATOM 858 CA GLN A 59 -6.940 6.803 3.815 1.00 3.14 C ATOM 859 C GLN A 59 -6.914 8.328 3.804 1.00 4.11 C ATOM 860 O GLN A 59 -6.569 8.960 4.803 1.00 71.42 O ATOM 861 CB GLN A 59 -5.801 6.255 2.953 1.00 60.54 C ATOM 862 CG GLN A 59 -5.222 4.947 3.467 1.00 73.30 C ATOM 863 CD GLN A 59 -3.922 4.575 2.783 1.00 3.00 C ATOM 864 OE1 GLN A 59 -4.025 3.955 1.613 1.00 2.10 O flip ATOM 865 NE2 GLN A 59 -2.837 4.841 3.299 1.00 62.25 N flip ATOM 0 H GLN A 59 -8.181 5.825 2.437 1.00 2.13 H new ATOM 0 HA GLN A 59 -6.805 6.463 4.842 1.00 3.14 H new ATOM 0 HB2 GLN A 59 -6.165 6.106 1.936 1.00 60.54 H new ATOM 0 HB3 GLN A 59 -5.006 6.999 2.901 1.00 60.54 H new ATOM 0 HG2 GLN A 59 -5.053 5.026 4.541 1.00 73.30 H new ATOM 0 HG3 GLN A 59 -5.949 4.149 3.316 1.00 73.30 H new ATOM 0 HE21 GLN A 59 -2.804 5.319 4.200 1.00 62.25 H new ATOM 0 HE22 GLN A 59 -1.971 4.584 2.826 1.00 62.25 H new ATOM 874 N LEU A 60 -7.281 8.912 2.669 1.00 72.51 N ATOM 875 CA LEU A 60 -7.300 10.364 2.528 1.00 61.44 C ATOM 876 C LEU A 60 -8.364 10.985 3.428 1.00 60.15 C ATOM 877 O LEU A 60 -8.158 12.053 4.005 1.00 41.44 O ATOM 878 CB LEU A 60 -7.561 10.751 1.071 1.00 2.42 C ATOM 879 CG LEU A 60 -6.778 9.965 0.018 1.00 22.21 C ATOM 880 CD1 LEU A 60 -7.729 9.267 -0.943 1.00 41.22 C ATOM 881 CD2 LEU A 60 -5.831 10.884 -0.740 1.00 14.13 C ATOM 0 H LEU A 60 -7.569 8.403 1.833 1.00 72.51 H new ATOM 0 HA LEU A 60 -6.325 10.746 2.831 1.00 61.44 H new ATOM 0 HB2 LEU A 60 -8.625 10.630 0.869 1.00 2.42 H new ATOM 0 HB3 LEU A 60 -7.332 11.810 0.950 1.00 2.42 H new ATOM 0 HG LEU A 60 -6.185 9.205 0.527 1.00 22.21 H new ATOM 0 HD11 LEU A 60 -7.154 8.713 -1.685 1.00 41.22 H new ATOM 0 HD12 LEU A 60 -8.366 8.578 -0.388 1.00 41.22 H new ATOM 0 HD13 LEU A 60 -8.349 10.010 -1.445 1.00 41.22 H new ATOM 0 HD21 LEU A 60 -5.283 10.307 -1.485 1.00 14.13 H new ATOM 0 HD22 LEU A 60 -6.404 11.667 -1.237 1.00 14.13 H new ATOM 0 HD23 LEU A 60 -5.127 11.337 -0.042 1.00 14.13 H new ATOM 893 N ARG A 61 -9.502 10.307 3.546 1.00 52.23 N ATOM 894 CA ARG A 61 -10.597 10.792 4.377 1.00 2.23 C ATOM 895 C ARG A 61 -10.170 10.884 5.839 1.00 45.04 C ATOM 896 O ARG A 61 -10.521 11.834 6.541 1.00 23.01 O ATOM 897 CB ARG A 61 -11.811 9.871 4.245 1.00 22.34 C ATOM 898 CG ARG A 61 -12.954 10.232 5.180 1.00 73.13 C ATOM 899 CD ARG A 61 -13.079 9.233 6.320 1.00 45.42 C ATOM 900 NE ARG A 61 -13.199 9.894 7.616 1.00 51.31 N ATOM 901 CZ ARG A 61 -13.626 9.283 8.716 1.00 62.21 C ATOM 902 NH1 ARG A 61 -13.973 8.004 8.676 1.00 40.44 N ATOM 903 NH2 ARG A 61 -13.708 9.953 9.859 1.00 5.13 N ATOM 0 H ARG A 61 -9.689 9.421 3.077 1.00 52.23 H new ATOM 0 HA ARG A 61 -10.868 11.790 4.033 1.00 2.23 H new ATOM 0 HB2 ARG A 61 -12.170 9.903 3.216 1.00 22.34 H new ATOM 0 HB3 ARG A 61 -11.501 8.845 4.443 1.00 22.34 H new ATOM 0 HG2 ARG A 61 -12.792 11.230 5.586 1.00 73.13 H new ATOM 0 HG3 ARG A 61 -13.888 10.264 4.619 1.00 73.13 H new ATOM 0 HD2 ARG A 61 -13.951 8.600 6.154 1.00 45.42 H new ATOM 0 HD3 ARG A 61 -12.207 8.579 6.326 1.00 45.42 H new ATOM 0 HE ARG A 61 -12.941 10.879 7.681 1.00 51.31 H new ATOM 0 HH11 ARG A 61 -13.913 7.486 7.799 1.00 40.44 H new ATOM 0 HH12 ARG A 61 -14.300 7.538 9.522 1.00 40.44 H new ATOM 0 HH21 ARG A 61 -13.443 10.937 9.893 1.00 5.13 H new ATOM 0 HH22 ARG A 61 -14.036 9.483 10.703 1.00 5.13 H new ATOM 917 N LEU A 62 -9.413 9.891 6.292 1.00 55.33 N ATOM 918 CA LEU A 62 -8.938 9.860 7.672 1.00 51.13 C ATOM 919 C LEU A 62 -7.975 11.012 7.943 1.00 62.32 C ATOM 920 O LEU A 62 -8.169 11.789 8.877 1.00 34.12 O ATOM 921 CB LEU A 62 -8.250 8.526 7.964 1.00 12.23 C ATOM 922 CG LEU A 62 -8.577 7.883 9.313 1.00 72.41 C ATOM 923 CD1 LEU A 62 -8.341 8.871 10.445 1.00 1.45 C ATOM 924 CD2 LEU A 62 -10.015 7.383 9.331 1.00 72.25 C ATOM 0 H LEU A 62 -9.115 9.097 5.725 1.00 55.33 H new ATOM 0 HA LEU A 62 -9.800 9.970 8.330 1.00 51.13 H new ATOM 0 HB2 LEU A 62 -8.516 7.823 7.175 1.00 12.23 H new ATOM 0 HB3 LEU A 62 -7.172 8.676 7.907 1.00 12.23 H new ATOM 0 HG LEU A 62 -7.915 7.030 9.458 1.00 72.41 H new ATOM 0 HD11 LEU A 62 -8.579 8.397 11.397 1.00 1.45 H new ATOM 0 HD12 LEU A 62 -7.296 9.182 10.445 1.00 1.45 H new ATOM 0 HD13 LEU A 62 -8.979 9.744 10.305 1.00 1.45 H new ATOM 0 HD21 LEU A 62 -10.230 6.929 10.298 1.00 72.25 H new ATOM 0 HD22 LEU A 62 -10.693 8.220 9.164 1.00 72.25 H new ATOM 0 HD23 LEU A 62 -10.152 6.642 8.543 1.00 72.25 H new ATOM 936 N VAL A 63 -6.938 11.116 7.118 1.00 24.31 N ATOM 937 CA VAL A 63 -5.946 12.175 7.267 1.00 62.15 C ATOM 938 C VAL A 63 -6.583 13.550 7.102 1.00 34.32 C ATOM 939 O VAL A 63 -6.415 14.428 7.950 1.00 51.33 O ATOM 940 CB VAL A 63 -4.806 12.024 6.242 1.00 71.11 C ATOM 941 CG1 VAL A 63 -3.686 13.008 6.541 1.00 5.52 C ATOM 942 CG2 VAL A 63 -4.285 10.595 6.233 1.00 2.40 C ATOM 0 H VAL A 63 -6.763 10.480 6.340 1.00 24.31 H new ATOM 0 HA VAL A 63 -5.535 12.085 8.273 1.00 62.15 H new ATOM 0 HB VAL A 63 -5.199 12.249 5.250 1.00 71.11 H new ATOM 0 HG11 VAL A 63 -2.890 12.887 5.807 1.00 5.52 H new ATOM 0 HG12 VAL A 63 -4.073 14.026 6.492 1.00 5.52 H new ATOM 0 HG13 VAL A 63 -3.291 12.818 7.539 1.00 5.52 H new ATOM 0 HG21 VAL A 63 -3.480 10.506 5.503 1.00 2.40 H new ATOM 0 HG22 VAL A 63 -3.907 10.339 7.223 1.00 2.40 H new ATOM 0 HG23 VAL A 63 -5.094 9.915 5.966 1.00 2.40 H new ATOM 952 N ILE A 64 -7.314 13.731 6.008 1.00 72.23 N ATOM 953 CA ILE A 64 -7.977 15.001 5.735 1.00 63.21 C ATOM 954 C ILE A 64 -8.946 15.367 6.854 1.00 53.14 C ATOM 955 O ILE A 64 -9.214 16.545 7.095 1.00 33.14 O ATOM 956 CB ILE A 64 -8.746 14.958 4.400 1.00 15.41 C ATOM 957 CG1 ILE A 64 -7.770 14.813 3.230 1.00 51.24 C ATOM 958 CG2 ILE A 64 -9.594 16.210 4.237 1.00 34.10 C ATOM 959 CD1 ILE A 64 -8.412 14.269 1.973 1.00 41.41 C ATOM 0 H ILE A 64 -7.463 13.015 5.296 1.00 72.23 H new ATOM 0 HA ILE A 64 -7.195 15.758 5.672 1.00 63.21 H new ATOM 0 HB ILE A 64 -9.409 14.093 4.406 1.00 15.41 H new ATOM 0 HG12 ILE A 64 -7.330 15.786 3.012 1.00 51.24 H new ATOM 0 HG13 ILE A 64 -6.955 14.153 3.527 1.00 51.24 H new ATOM 0 HG21 ILE A 64 -10.131 16.165 3.290 1.00 34.10 H new ATOM 0 HG22 ILE A 64 -10.309 16.274 5.057 1.00 34.10 H new ATOM 0 HG23 ILE A 64 -8.950 17.089 4.248 1.00 34.10 H new ATOM 0 HD11 ILE A 64 -7.662 14.193 1.185 1.00 41.41 H new ATOM 0 HD12 ILE A 64 -8.828 13.282 2.175 1.00 41.41 H new ATOM 0 HD13 ILE A 64 -9.209 14.940 1.652 1.00 41.41 H new ATOM 971 N CYS A 65 -9.466 14.352 7.535 1.00 74.33 N ATOM 972 CA CYS A 65 -10.404 14.568 8.631 1.00 0.05 C ATOM 973 C CYS A 65 -9.694 15.155 9.847 1.00 24.45 C ATOM 974 O CYS A 65 -10.027 16.248 10.305 1.00 43.44 O ATOM 975 CB CYS A 65 -11.088 13.254 9.010 1.00 42.13 C ATOM 976 SG CYS A 65 -12.148 13.368 10.470 1.00 25.31 S ATOM 0 H CYS A 65 -9.254 13.372 7.348 1.00 74.33 H new ATOM 0 HA CYS A 65 -11.159 15.279 8.296 1.00 0.05 H new ATOM 0 HB2 CYS A 65 -11.686 12.912 8.166 1.00 42.13 H new ATOM 0 HB3 CYS A 65 -10.324 12.497 9.187 1.00 42.13 H new ATOM 0 HG CYS A 65 -12.170 12.221 11.081 1.00 25.31 H new ATOM 982 N ASP A 66 -8.717 14.420 10.366 1.00 71.51 N ATOM 983 CA ASP A 66 -7.961 14.867 11.530 1.00 73.00 C ATOM 984 C ASP A 66 -7.196 16.151 11.221 1.00 22.44 C ATOM 985 O ASP A 66 -7.127 17.059 12.051 1.00 51.53 O ATOM 986 CB ASP A 66 -6.988 13.777 11.983 1.00 5.11 C ATOM 987 CG ASP A 66 -7.695 12.487 12.350 1.00 32.14 C ATOM 988 OD1 ASP A 66 -8.772 12.558 12.979 1.00 71.21 O ATOM 989 OD2 ASP A 66 -7.172 11.406 12.009 1.00 51.24 O ATOM 0 H ASP A 66 -8.430 13.512 9.999 1.00 71.51 H new ATOM 0 HA ASP A 66 -8.668 15.070 12.335 1.00 73.00 H new ATOM 0 HB2 ASP A 66 -6.270 13.581 11.187 1.00 5.11 H new ATOM 0 HB3 ASP A 66 -6.421 14.134 12.842 1.00 5.11 H new ATOM 994 N LEU A 67 -6.624 16.219 10.024 1.00 51.02 N ATOM 995 CA LEU A 67 -5.863 17.392 9.606 1.00 63.51 C ATOM 996 C LEU A 67 -6.728 18.648 9.657 1.00 25.22 C ATOM 997 O LEU A 67 -6.322 19.668 10.213 1.00 63.54 O ATOM 998 CB LEU A 67 -5.318 17.192 8.191 1.00 65.22 C ATOM 999 CG LEU A 67 -4.042 16.356 8.075 1.00 74.54 C ATOM 1000 CD1 LEU A 67 -3.635 16.203 6.618 1.00 50.33 C ATOM 1001 CD2 LEU A 67 -2.917 16.988 8.881 1.00 33.51 C ATOM 0 H LEU A 67 -6.672 15.477 9.326 1.00 51.02 H new ATOM 0 HA LEU A 67 -5.029 17.519 10.296 1.00 63.51 H new ATOM 0 HB2 LEU A 67 -6.094 16.720 7.588 1.00 65.22 H new ATOM 0 HB3 LEU A 67 -5.127 18.172 7.755 1.00 65.22 H new ATOM 0 HG LEU A 67 -4.241 15.364 8.481 1.00 74.54 H new ATOM 0 HD11 LEU A 67 -2.725 15.606 6.555 1.00 50.33 H new ATOM 0 HD12 LEU A 67 -4.434 15.707 6.067 1.00 50.33 H new ATOM 0 HD13 LEU A 67 -3.453 17.187 6.186 1.00 50.33 H new ATOM 0 HD21 LEU A 67 -2.017 16.381 8.788 1.00 33.51 H new ATOM 0 HD22 LEU A 67 -2.719 17.991 8.504 1.00 33.51 H new ATOM 0 HD23 LEU A 67 -3.209 17.045 9.930 1.00 33.51 H new ATOM 1013 N GLN A 68 -7.920 18.565 9.075 1.00 23.22 N ATOM 1014 CA GLN A 68 -8.841 19.694 9.056 1.00 61.14 C ATOM 1015 C GLN A 68 -9.161 20.159 10.473 1.00 53.05 C ATOM 1016 O GLN A 68 -9.093 21.351 10.774 1.00 50.11 O ATOM 1017 CB GLN A 68 -10.132 19.315 8.327 1.00 30.35 C ATOM 1018 CG GLN A 68 -11.123 20.461 8.209 1.00 13.41 C ATOM 1019 CD GLN A 68 -12.432 20.038 7.571 1.00 13.12 C ATOM 1020 OE1 GLN A 68 -12.496 19.028 6.871 1.00 5.23 O ATOM 1021 NE2 GLN A 68 -13.484 20.810 7.810 1.00 34.53 N ATOM 0 H GLN A 68 -8.270 17.727 8.610 1.00 23.22 H new ATOM 0 HA GLN A 68 -8.359 20.514 8.524 1.00 61.14 H new ATOM 0 HB2 GLN A 68 -9.883 18.956 7.328 1.00 30.35 H new ATOM 0 HB3 GLN A 68 -10.607 18.487 8.854 1.00 30.35 H new ATOM 0 HG2 GLN A 68 -11.321 20.868 9.200 1.00 13.41 H new ATOM 0 HG3 GLN A 68 -10.678 21.262 7.619 1.00 13.41 H new ATOM 0 HE21 GLN A 68 -13.386 21.639 8.397 1.00 34.53 H new ATOM 0 HE22 GLN A 68 -14.391 20.575 7.407 1.00 34.53 H new ATOM 1030 N GLU A 69 -9.509 19.212 11.337 1.00 71.04 N ATOM 1031 CA GLU A 69 -9.841 19.527 12.721 1.00 14.04 C ATOM 1032 C GLU A 69 -8.638 20.125 13.447 1.00 44.33 C ATOM 1033 O GLU A 69 -8.790 20.944 14.352 1.00 71.21 O ATOM 1034 CB GLU A 69 -10.318 18.271 13.454 1.00 45.25 C ATOM 1035 CG GLU A 69 -10.897 18.551 14.830 1.00 64.10 C ATOM 1036 CD GLU A 69 -12.403 18.726 14.805 1.00 23.22 C ATOM 1037 OE1 GLU A 69 -12.937 19.116 13.746 1.00 72.23 O ATOM 1038 OE2 GLU A 69 -13.047 18.471 15.844 1.00 64.31 O ATOM 0 H GLU A 69 -9.568 18.221 11.104 1.00 71.04 H new ATOM 0 HA GLU A 69 -10.645 20.263 12.715 1.00 14.04 H new ATOM 0 HB2 GLU A 69 -11.073 17.771 12.847 1.00 45.25 H new ATOM 0 HB3 GLU A 69 -9.481 17.580 13.555 1.00 45.25 H new ATOM 0 HG2 GLU A 69 -10.641 17.731 15.501 1.00 64.10 H new ATOM 0 HG3 GLU A 69 -10.437 19.451 15.237 1.00 64.10 H new ATOM 1045 N ARG A 70 -7.444 19.707 13.041 1.00 14.22 N ATOM 1046 CA ARG A 70 -6.214 20.199 13.653 1.00 61.34 C ATOM 1047 C ARG A 70 -5.940 21.642 13.239 1.00 64.44 C ATOM 1048 O ARG A 70 -5.845 22.534 14.082 1.00 2.25 O ATOM 1049 CB ARG A 70 -5.032 19.312 13.258 1.00 21.40 C ATOM 1050 CG ARG A 70 -5.065 17.934 13.900 1.00 54.55 C ATOM 1051 CD ARG A 70 -3.869 17.717 14.814 1.00 3.00 C ATOM 1052 NE ARG A 70 -4.215 16.920 15.988 1.00 23.31 N ATOM 1053 CZ ARG A 70 -3.341 16.577 16.927 1.00 23.54 C ATOM 1054 NH1 ARG A 70 -2.076 16.961 16.832 1.00 60.24 N ATOM 1055 NH2 ARG A 70 -3.733 15.849 17.966 1.00 51.25 N ATOM 0 H ARG A 70 -7.301 19.030 12.292 1.00 14.22 H new ATOM 0 HA ARG A 70 -6.339 20.166 14.735 1.00 61.34 H new ATOM 0 HB2 ARG A 70 -5.020 19.199 12.174 1.00 21.40 H new ATOM 0 HB3 ARG A 70 -4.104 19.812 13.537 1.00 21.40 H new ATOM 0 HG2 ARG A 70 -5.986 17.819 14.471 1.00 54.55 H new ATOM 0 HG3 ARG A 70 -5.074 17.169 13.123 1.00 54.55 H new ATOM 0 HD2 ARG A 70 -3.074 17.219 14.259 1.00 3.00 H new ATOM 0 HD3 ARG A 70 -3.477 18.683 15.134 1.00 3.00 H new ATOM 0 HE ARG A 70 -5.181 16.610 16.092 1.00 23.31 H new ATOM 0 HH11 ARG A 70 -1.772 17.522 16.036 1.00 60.24 H new ATOM 0 HH12 ARG A 70 -1.407 16.696 17.555 1.00 60.24 H new ATOM 0 HH21 ARG A 70 -4.706 15.553 18.043 1.00 51.25 H new ATOM 0 HH22 ARG A 70 -3.061 15.586 18.687 1.00 51.25 H new ATOM 1069 N ARG A 71 -5.816 21.864 11.934 1.00 15.22 N ATOM 1070 CA ARG A 71 -5.551 23.198 11.407 1.00 34.03 C ATOM 1071 C ARG A 71 -6.555 24.208 11.958 1.00 53.41 C ATOM 1072 O ARG A 71 -6.222 25.374 12.169 1.00 64.10 O ATOM 1073 CB ARG A 71 -5.608 23.187 9.879 1.00 60.55 C ATOM 1074 CG ARG A 71 -4.783 24.287 9.231 1.00 20.30 C ATOM 1075 CD ARG A 71 -5.618 25.531 8.971 1.00 20.33 C ATOM 1076 NE ARG A 71 -6.575 25.331 7.886 1.00 12.43 N ATOM 1077 CZ ARG A 71 -7.489 26.229 7.538 1.00 33.40 C ATOM 1078 NH1 ARG A 71 -7.571 27.383 8.187 1.00 42.02 N ATOM 1079 NH2 ARG A 71 -8.325 25.975 6.539 1.00 0.34 N ATOM 0 H ARG A 71 -5.895 21.137 11.222 1.00 15.22 H new ATOM 0 HA ARG A 71 -4.551 23.495 11.723 1.00 34.03 H new ATOM 0 HB2 ARG A 71 -5.257 22.220 9.518 1.00 60.55 H new ATOM 0 HB3 ARG A 71 -6.646 23.288 9.562 1.00 60.55 H new ATOM 0 HG2 ARG A 71 -3.942 24.541 9.876 1.00 20.30 H new ATOM 0 HG3 ARG A 71 -4.366 23.925 8.291 1.00 20.30 H new ATOM 0 HD2 ARG A 71 -6.153 25.805 9.880 1.00 20.33 H new ATOM 0 HD3 ARG A 71 -4.960 26.364 8.725 1.00 20.33 H new ATOM 0 HE ARG A 71 -6.539 24.454 7.367 1.00 12.43 H new ATOM 0 HH11 ARG A 71 -6.931 27.582 8.956 1.00 42.02 H new ATOM 0 HH12 ARG A 71 -8.274 28.071 7.917 1.00 42.02 H new ATOM 0 HH21 ARG A 71 -8.266 25.089 6.037 1.00 0.34 H new ATOM 0 HH22 ARG A 71 -9.027 26.666 6.273 1.00 0.34 H new ATOM 1093 N GLU A 72 -7.782 23.751 12.187 1.00 54.43 N ATOM 1094 CA GLU A 72 -8.832 24.615 12.711 1.00 34.24 C ATOM 1095 C GLU A 72 -8.536 25.019 14.153 1.00 24.44 C ATOM 1096 O GLU A 72 -8.390 26.201 14.462 1.00 24.20 O ATOM 1097 CB GLU A 72 -10.188 23.911 12.634 1.00 35.34 C ATOM 1098 CG GLU A 72 -10.850 24.010 11.271 1.00 10.30 C ATOM 1099 CD GLU A 72 -12.287 24.486 11.352 1.00 34.14 C ATOM 1100 OE1 GLU A 72 -12.541 25.489 12.053 1.00 2.35 O ATOM 1101 OE2 GLU A 72 -13.158 23.857 10.717 1.00 63.05 O ATOM 0 H GLU A 72 -8.073 22.788 12.018 1.00 54.43 H new ATOM 0 HA GLU A 72 -8.864 25.517 12.099 1.00 34.24 H new ATOM 0 HB2 GLU A 72 -10.057 22.859 12.889 1.00 35.34 H new ATOM 0 HB3 GLU A 72 -10.853 24.340 13.383 1.00 35.34 H new ATOM 0 HG2 GLU A 72 -10.280 24.695 10.643 1.00 10.30 H new ATOM 0 HG3 GLU A 72 -10.822 23.034 10.786 1.00 10.30 H new ATOM 1108 N LYS A 73 -8.450 24.026 15.033 1.00 62.12 N ATOM 1109 CA LYS A 73 -8.171 24.275 16.442 1.00 25.01 C ATOM 1110 C LYS A 73 -6.829 24.978 16.616 1.00 64.02 C ATOM 1111 O LYS A 73 -6.606 25.676 17.606 1.00 43.12 O ATOM 1112 CB LYS A 73 -8.175 22.958 17.223 1.00 71.53 C ATOM 1113 CG LYS A 73 -9.513 22.637 17.867 1.00 13.35 C ATOM 1114 CD LYS A 73 -9.337 22.078 19.269 1.00 15.34 C ATOM 1115 CE LYS A 73 -8.640 20.726 19.247 1.00 34.20 C ATOM 1116 NZ LYS A 73 -7.312 20.775 19.921 1.00 23.53 N ATOM 0 H LYS A 73 -8.570 23.042 14.794 1.00 62.12 H new ATOM 0 HA LYS A 73 -8.954 24.925 16.833 1.00 25.01 H new ATOM 0 HB2 LYS A 73 -7.901 22.145 16.550 1.00 71.53 H new ATOM 0 HB3 LYS A 73 -7.410 23.002 17.998 1.00 71.53 H new ATOM 0 HG2 LYS A 73 -10.124 23.539 17.908 1.00 13.35 H new ATOM 0 HG3 LYS A 73 -10.050 21.916 17.251 1.00 13.35 H new ATOM 0 HD2 LYS A 73 -8.757 22.778 19.871 1.00 15.34 H new ATOM 0 HD3 LYS A 73 -10.311 21.978 19.747 1.00 15.34 H new ATOM 0 HE2 LYS A 73 -9.270 19.985 19.739 1.00 34.20 H new ATOM 0 HE3 LYS A 73 -8.512 20.400 18.215 1.00 34.20 H new ATOM 0 HZ1 LYS A 73 -6.869 19.835 19.885 1.00 23.53 H new ATOM 0 HZ2 LYS A 73 -6.702 21.464 19.436 1.00 23.53 H new ATOM 0 HZ3 LYS A 73 -7.437 21.061 20.913 1.00 23.53 H new ATOM 1130 N PHE A 74 -5.939 24.791 15.647 1.00 3.24 N ATOM 1131 CA PHE A 74 -4.618 25.406 15.693 1.00 74.23 C ATOM 1132 C PHE A 74 -4.684 26.867 15.255 1.00 34.33 C ATOM 1133 O PHE A 74 -3.891 27.697 15.699 1.00 24.52 O ATOM 1134 CB PHE A 74 -3.641 24.638 14.801 1.00 62.03 C ATOM 1135 CG PHE A 74 -2.201 24.840 15.176 1.00 20.21 C ATOM 1136 CD1 PHE A 74 -1.376 25.641 14.404 1.00 73.14 C ATOM 1137 CD2 PHE A 74 -1.672 24.226 16.301 1.00 61.44 C ATOM 1138 CE1 PHE A 74 -0.049 25.828 14.746 1.00 32.52 C ATOM 1139 CE2 PHE A 74 -0.348 24.411 16.648 1.00 3.21 C ATOM 1140 CZ PHE A 74 0.464 25.212 15.869 1.00 15.54 C ATOM 0 H PHE A 74 -6.109 24.218 14.820 1.00 3.24 H new ATOM 0 HA PHE A 74 -4.263 25.368 16.723 1.00 74.23 H new ATOM 0 HB2 PHE A 74 -3.875 23.575 14.851 1.00 62.03 H new ATOM 0 HB3 PHE A 74 -3.786 24.948 13.766 1.00 62.03 H new ATOM 0 HD1 PHE A 74 -1.774 26.125 13.524 1.00 73.14 H new ATOM 0 HD2 PHE A 74 -2.302 23.597 16.912 1.00 61.44 H new ATOM 0 HE1 PHE A 74 0.584 26.455 14.135 1.00 32.52 H new ATOM 0 HE2 PHE A 74 0.052 23.930 17.528 1.00 3.21 H new ATOM 0 HZ PHE A 74 1.500 25.356 16.139 1.00 15.54 H new ATOM 1150 N GLY A 75 -5.637 27.173 14.379 1.00 33.25 N ATOM 1151 CA GLY A 75 -5.789 28.533 13.894 1.00 23.41 C ATOM 1152 C GLY A 75 -5.212 28.721 12.505 1.00 15.33 C ATOM 1153 O GLY A 75 -4.882 27.749 11.826 1.00 64.22 O ATOM 0 H GLY A 75 -6.306 26.504 13.997 1.00 33.25 H new ATOM 0 HA2 GLY A 75 -6.847 28.796 13.883 1.00 23.41 H new ATOM 0 HA3 GLY A 75 -5.297 29.219 14.584 1.00 23.41 H new ATOM 1157 N SER A 76 -5.089 29.975 12.083 1.00 63.14 N ATOM 1158 CA SER A 76 -4.553 30.287 10.762 1.00 34.24 C ATOM 1159 C SER A 76 -3.211 29.594 10.544 1.00 64.52 C ATOM 1160 O SER A 76 -2.410 29.462 11.469 1.00 61.02 O ATOM 1161 CB SER A 76 -4.390 31.800 10.600 1.00 62.41 C ATOM 1162 OG SER A 76 -3.305 32.282 11.372 1.00 54.23 O ATOM 0 H SER A 76 -5.353 30.791 12.635 1.00 63.14 H new ATOM 0 HA SER A 76 -5.257 29.922 10.015 1.00 34.24 H new ATOM 0 HB2 SER A 76 -4.228 32.041 9.549 1.00 62.41 H new ATOM 0 HB3 SER A 76 -5.308 32.302 10.904 1.00 62.41 H new ATOM 0 HG SER A 76 -3.221 33.251 11.250 1.00 54.23 H new ATOM 1168 N SER A 77 -2.975 29.153 9.313 1.00 10.20 N ATOM 1169 CA SER A 77 -1.732 28.469 8.971 1.00 73.43 C ATOM 1170 C SER A 77 -1.713 28.084 7.496 1.00 52.13 C ATOM 1171 O SER A 77 -2.133 26.989 7.121 1.00 0.02 O ATOM 1172 CB SER A 77 -1.558 27.221 9.839 1.00 2.11 C ATOM 1173 OG SER A 77 -0.490 26.418 9.367 1.00 2.41 O ATOM 0 H SER A 77 -3.627 29.257 8.536 1.00 10.20 H new ATOM 0 HA SER A 77 -0.904 29.153 9.160 1.00 73.43 H new ATOM 0 HB2 SER A 77 -1.368 27.515 10.871 1.00 2.11 H new ATOM 0 HB3 SER A 77 -2.481 26.642 9.838 1.00 2.11 H new ATOM 0 HG SER A 77 0.107 26.197 10.112 1.00 2.41 H new ATOM 1179 N LYS A 78 -1.221 28.992 6.659 1.00 13.03 N ATOM 1180 CA LYS A 78 -1.143 28.750 5.224 1.00 51.22 C ATOM 1181 C LYS A 78 -0.385 27.459 4.930 1.00 33.43 C ATOM 1182 O LYS A 78 -0.607 26.818 3.904 1.00 64.44 O ATOM 1183 CB LYS A 78 -0.460 29.926 4.524 1.00 43.41 C ATOM 1184 CG LYS A 78 -1.171 30.378 3.259 1.00 11.15 C ATOM 1185 CD LYS A 78 -2.291 31.357 3.570 1.00 23.21 C ATOM 1186 CE LYS A 78 -1.782 32.789 3.621 1.00 70.14 C ATOM 1187 NZ LYS A 78 -2.214 33.488 4.862 1.00 62.44 N ATOM 0 H LYS A 78 -0.870 29.904 6.951 1.00 13.03 H new ATOM 0 HA LYS A 78 -2.159 28.649 4.842 1.00 51.22 H new ATOM 0 HB2 LYS A 78 -0.400 30.765 5.217 1.00 43.41 H new ATOM 0 HB3 LYS A 78 0.563 29.645 4.275 1.00 43.41 H new ATOM 0 HG2 LYS A 78 -0.454 30.846 2.585 1.00 11.15 H new ATOM 0 HG3 LYS A 78 -1.578 29.511 2.739 1.00 11.15 H new ATOM 0 HD2 LYS A 78 -3.070 31.273 2.812 1.00 23.21 H new ATOM 0 HD3 LYS A 78 -2.747 31.098 4.525 1.00 23.21 H new ATOM 0 HE2 LYS A 78 -0.693 32.790 3.564 1.00 70.14 H new ATOM 0 HE3 LYS A 78 -2.147 33.335 2.751 1.00 70.14 H new ATOM 0 HZ1 LYS A 78 -1.847 34.461 4.858 1.00 62.44 H new ATOM 0 HZ2 LYS A 78 -3.253 33.510 4.904 1.00 62.44 H new ATOM 0 HZ3 LYS A 78 -1.845 32.982 5.692 1.00 62.44 H new ATOM 1201 N GLU A 79 0.510 27.084 5.839 1.00 51.05 N ATOM 1202 CA GLU A 79 1.300 25.869 5.676 1.00 61.04 C ATOM 1203 C GLU A 79 0.417 24.629 5.776 1.00 10.13 C ATOM 1204 O GLU A 79 0.314 23.850 4.829 1.00 3.35 O ATOM 1205 CB GLU A 79 2.407 25.809 6.731 1.00 25.33 C ATOM 1206 CG GLU A 79 3.719 25.252 6.206 1.00 73.34 C ATOM 1207 CD GLU A 79 4.786 25.162 7.280 1.00 43.24 C ATOM 1208 OE1 GLU A 79 4.447 24.781 8.421 1.00 42.25 O ATOM 1209 OE2 GLU A 79 5.958 25.470 6.981 1.00 42.15 O ATOM 0 H GLU A 79 0.706 27.603 6.695 1.00 51.05 H new ATOM 0 HA GLU A 79 1.754 25.891 4.685 1.00 61.04 H new ATOM 0 HB2 GLU A 79 2.579 26.812 7.123 1.00 25.33 H new ATOM 0 HB3 GLU A 79 2.069 25.194 7.565 1.00 25.33 H new ATOM 0 HG2 GLU A 79 3.547 24.261 5.786 1.00 73.34 H new ATOM 0 HG3 GLU A 79 4.079 25.884 5.394 1.00 73.34 H new ATOM 1216 N ILE A 80 -0.216 24.452 6.931 1.00 73.23 N ATOM 1217 CA ILE A 80 -1.090 23.308 7.155 1.00 30.50 C ATOM 1218 C ILE A 80 -2.315 23.365 6.248 1.00 54.23 C ATOM 1219 O ILE A 80 -2.689 22.368 5.630 1.00 35.44 O ATOM 1220 CB ILE A 80 -1.554 23.234 8.622 1.00 65.02 C ATOM 1221 CG1 ILE A 80 -0.352 23.295 9.565 1.00 55.11 C ATOM 1222 CG2 ILE A 80 -2.355 21.962 8.860 1.00 2.11 C ATOM 1223 CD1 ILE A 80 -0.727 23.237 11.029 1.00 53.21 C ATOM 0 H ILE A 80 -0.140 25.087 7.726 1.00 73.23 H new ATOM 0 HA ILE A 80 -0.509 22.416 6.920 1.00 30.50 H new ATOM 0 HB ILE A 80 -2.196 24.090 8.827 1.00 65.02 H new ATOM 0 HG12 ILE A 80 0.320 22.467 9.338 1.00 55.11 H new ATOM 0 HG13 ILE A 80 0.201 24.215 9.376 1.00 55.11 H new ATOM 0 HG21 ILE A 80 -2.676 21.924 9.901 1.00 2.11 H new ATOM 0 HG22 ILE A 80 -3.230 21.956 8.210 1.00 2.11 H new ATOM 0 HG23 ILE A 80 -1.733 21.094 8.640 1.00 2.11 H new ATOM 0 HD11 ILE A 80 0.176 23.285 11.638 1.00 53.21 H new ATOM 0 HD12 ILE A 80 -1.374 24.080 11.272 1.00 53.21 H new ATOM 0 HD13 ILE A 80 -1.253 22.305 11.233 1.00 53.21 H new ATOM 1235 N ASP A 81 -2.933 24.538 6.172 1.00 71.05 N ATOM 1236 CA ASP A 81 -4.114 24.727 5.338 1.00 64.34 C ATOM 1237 C ASP A 81 -3.849 24.265 3.908 1.00 62.31 C ATOM 1238 O ASP A 81 -4.686 23.603 3.294 1.00 35.54 O ATOM 1239 CB ASP A 81 -4.538 26.196 5.341 1.00 34.14 C ATOM 1240 CG ASP A 81 -5.930 26.400 4.775 1.00 1.32 C ATOM 1241 OD1 ASP A 81 -6.477 27.512 4.928 1.00 0.44 O ATOM 1242 OD2 ASP A 81 -6.472 25.446 4.179 1.00 45.12 O ATOM 0 H ASP A 81 -2.636 25.372 6.678 1.00 71.05 H new ATOM 0 HA ASP A 81 -4.921 24.123 5.753 1.00 64.34 H new ATOM 0 HB2 ASP A 81 -4.505 26.578 6.361 1.00 34.14 H new ATOM 0 HB3 ASP A 81 -3.824 26.778 4.759 1.00 34.14 H new ATOM 1247 N MET A 82 -2.680 24.619 3.384 1.00 22.42 N ATOM 1248 CA MET A 82 -2.306 24.240 2.027 1.00 63.22 C ATOM 1249 C MET A 82 -2.198 22.724 1.895 1.00 13.03 C ATOM 1250 O MET A 82 -2.837 22.119 1.035 1.00 52.13 O ATOM 1251 CB MET A 82 -0.977 24.892 1.640 1.00 32.40 C ATOM 1252 CG MET A 82 -1.131 26.294 1.071 1.00 60.50 C ATOM 1253 SD MET A 82 0.445 27.152 0.903 1.00 74.13 S ATOM 1254 CE MET A 82 0.490 27.434 -0.865 1.00 65.04 C ATOM 0 H MET A 82 -1.976 25.167 3.878 1.00 22.42 H new ATOM 0 HA MET A 82 -3.086 24.591 1.351 1.00 63.22 H new ATOM 0 HB2 MET A 82 -0.333 24.934 2.518 1.00 32.40 H new ATOM 0 HB3 MET A 82 -0.474 24.264 0.905 1.00 32.40 H new ATOM 0 HG2 MET A 82 -1.614 26.235 0.096 1.00 60.50 H new ATOM 0 HG3 MET A 82 -1.789 26.874 1.718 1.00 60.50 H new ATOM 0 HE1 MET A 82 1.409 27.958 -1.127 1.00 65.04 H new ATOM 0 HE2 MET A 82 0.457 26.478 -1.387 1.00 65.04 H new ATOM 0 HE3 MET A 82 -0.368 28.038 -1.159 1.00 65.04 H new ATOM 1264 N ALA A 83 -1.387 22.116 2.755 1.00 13.23 N ATOM 1265 CA ALA A 83 -1.197 20.671 2.736 1.00 44.04 C ATOM 1266 C ALA A 83 -2.535 19.942 2.765 1.00 65.24 C ATOM 1267 O ALA A 83 -2.701 18.903 2.124 1.00 65.33 O ATOM 1268 CB ALA A 83 -0.331 20.237 3.910 1.00 63.43 C ATOM 0 H ALA A 83 -0.851 22.602 3.474 1.00 13.23 H new ATOM 0 HA ALA A 83 -0.690 20.408 1.808 1.00 44.04 H new ATOM 0 HB1 ALA A 83 -0.197 19.156 3.883 1.00 63.43 H new ATOM 0 HB2 ALA A 83 0.642 20.725 3.844 1.00 63.43 H new ATOM 0 HB3 ALA A 83 -0.816 20.520 4.844 1.00 63.43 H new ATOM 1274 N ILE A 84 -3.488 20.490 3.512 1.00 13.31 N ATOM 1275 CA ILE A 84 -4.812 19.891 3.623 1.00 0.30 C ATOM 1276 C ILE A 84 -5.523 19.875 2.274 1.00 44.01 C ATOM 1277 O ILE A 84 -5.921 18.819 1.782 1.00 33.33 O ATOM 1278 CB ILE A 84 -5.687 20.644 4.643 1.00 42.45 C ATOM 1279 CG1 ILE A 84 -5.051 20.586 6.033 1.00 40.01 C ATOM 1280 CG2 ILE A 84 -7.090 20.058 4.671 1.00 42.02 C ATOM 1281 CD1 ILE A 84 -5.335 21.808 6.879 1.00 71.04 C ATOM 0 H ILE A 84 -3.367 21.348 4.050 1.00 13.31 H new ATOM 0 HA ILE A 84 -4.667 18.867 3.967 1.00 0.30 H new ATOM 0 HB ILE A 84 -5.757 21.689 4.340 1.00 42.45 H new ATOM 0 HG12 ILE A 84 -5.416 19.701 6.554 1.00 40.01 H new ATOM 0 HG13 ILE A 84 -3.972 20.471 5.926 1.00 40.01 H new ATOM 0 HG21 ILE A 84 -7.696 20.600 5.396 1.00 42.02 H new ATOM 0 HG22 ILE A 84 -7.541 20.146 3.683 1.00 42.02 H new ATOM 0 HG23 ILE A 84 -7.040 19.007 4.954 1.00 42.02 H new ATOM 0 HD11 ILE A 84 -4.853 21.698 7.851 1.00 71.04 H new ATOM 0 HD12 ILE A 84 -4.945 22.695 6.379 1.00 71.04 H new ATOM 0 HD13 ILE A 84 -6.411 21.913 7.017 1.00 71.04 H new ATOM 1293 N VAL A 85 -5.678 21.053 1.679 1.00 71.24 N ATOM 1294 CA VAL A 85 -6.339 21.175 0.385 1.00 1.21 C ATOM 1295 C VAL A 85 -5.731 20.218 -0.635 1.00 11.42 C ATOM 1296 O VAL A 85 -6.428 19.693 -1.503 1.00 63.10 O ATOM 1297 CB VAL A 85 -6.247 22.613 -0.160 1.00 13.24 C ATOM 1298 CG1 VAL A 85 -6.895 22.707 -1.532 1.00 53.54 C ATOM 1299 CG2 VAL A 85 -6.891 23.592 0.811 1.00 44.40 C ATOM 0 H VAL A 85 -5.355 21.937 2.072 1.00 71.24 H new ATOM 0 HA VAL A 85 -7.387 20.919 0.540 1.00 1.21 H new ATOM 0 HB VAL A 85 -5.195 22.877 -0.263 1.00 13.24 H new ATOM 0 HG11 VAL A 85 -6.820 23.730 -1.900 1.00 53.54 H new ATOM 0 HG12 VAL A 85 -6.385 22.035 -2.222 1.00 53.54 H new ATOM 0 HG13 VAL A 85 -7.945 22.424 -1.459 1.00 53.54 H new ATOM 0 HG21 VAL A 85 -6.817 24.603 0.411 1.00 44.40 H new ATOM 0 HG22 VAL A 85 -7.941 23.332 0.948 1.00 44.40 H new ATOM 0 HG23 VAL A 85 -6.377 23.544 1.771 1.00 44.40 H new ATOM 1309 N THR A 86 -4.425 19.994 -0.523 1.00 20.51 N ATOM 1310 CA THR A 86 -3.722 19.100 -1.435 1.00 33.23 C ATOM 1311 C THR A 86 -4.229 17.668 -1.301 1.00 14.10 C ATOM 1312 O THR A 86 -4.660 17.058 -2.280 1.00 51.30 O ATOM 1313 CB THR A 86 -2.203 19.121 -1.181 1.00 1.53 C ATOM 1314 OG1 THR A 86 -1.673 20.416 -1.484 1.00 3.44 O ATOM 1315 CG2 THR A 86 -1.500 18.069 -2.027 1.00 14.44 C ATOM 0 H THR A 86 -3.833 20.420 0.190 1.00 20.51 H new ATOM 0 HA THR A 86 -3.919 19.459 -2.445 1.00 33.23 H new ATOM 0 HB THR A 86 -2.029 18.896 -0.129 1.00 1.53 H new ATOM 0 HG1 THR A 86 -1.618 20.528 -2.456 1.00 3.44 H new ATOM 0 HG21 THR A 86 -0.428 18.102 -1.832 1.00 14.44 H new ATOM 0 HG22 THR A 86 -1.885 17.081 -1.773 1.00 14.44 H new ATOM 0 HG23 THR A 86 -1.683 18.270 -3.083 1.00 14.44 H new ATOM 1323 N LEU A 87 -4.175 17.138 -0.084 1.00 61.32 N ATOM 1324 CA LEU A 87 -4.630 15.777 0.177 1.00 34.05 C ATOM 1325 C LEU A 87 -6.040 15.560 -0.364 1.00 11.02 C ATOM 1326 O LEU A 87 -6.348 14.504 -0.917 1.00 70.42 O ATOM 1327 CB LEU A 87 -4.599 15.487 1.679 1.00 74.13 C ATOM 1328 CG LEU A 87 -4.126 14.091 2.084 1.00 74.41 C ATOM 1329 CD1 LEU A 87 -5.086 13.032 1.565 1.00 61.23 C ATOM 1330 CD2 LEU A 87 -2.717 13.834 1.570 1.00 71.15 C ATOM 0 H LEU A 87 -3.821 17.629 0.737 1.00 61.32 H new ATOM 0 HA LEU A 87 -3.955 15.091 -0.334 1.00 34.05 H new ATOM 0 HB2 LEU A 87 -3.951 16.221 2.157 1.00 74.13 H new ATOM 0 HB3 LEU A 87 -5.602 15.639 2.079 1.00 74.13 H new ATOM 0 HG LEU A 87 -4.109 14.036 3.172 1.00 74.41 H new ATOM 0 HD11 LEU A 87 -4.734 12.044 1.863 1.00 61.23 H new ATOM 0 HD12 LEU A 87 -6.078 13.204 1.982 1.00 61.23 H new ATOM 0 HD13 LEU A 87 -5.135 13.087 0.478 1.00 61.23 H new ATOM 0 HD21 LEU A 87 -2.397 12.835 1.868 1.00 71.15 H new ATOM 0 HD22 LEU A 87 -2.707 13.909 0.483 1.00 71.15 H new ATOM 0 HD23 LEU A 87 -2.036 14.574 1.991 1.00 71.15 H new ATOM 1342 N LYS A 88 -6.891 16.567 -0.204 1.00 74.52 N ATOM 1343 CA LYS A 88 -8.267 16.490 -0.679 1.00 43.13 C ATOM 1344 C LYS A 88 -8.314 16.449 -2.204 1.00 21.52 C ATOM 1345 O LYS A 88 -8.824 15.496 -2.793 1.00 62.40 O ATOM 1346 CB LYS A 88 -9.074 17.685 -0.165 1.00 10.40 C ATOM 1347 CG LYS A 88 -9.187 17.737 1.348 1.00 3.12 C ATOM 1348 CD LYS A 88 -9.016 19.152 1.871 1.00 34.43 C ATOM 1349 CE LYS A 88 -10.164 19.551 2.786 1.00 34.01 C ATOM 1350 NZ LYS A 88 -10.056 20.970 3.225 1.00 31.24 N ATOM 0 H LYS A 88 -6.652 17.448 0.252 1.00 74.52 H new ATOM 0 HA LYS A 88 -8.707 15.570 -0.294 1.00 43.13 H new ATOM 0 HB2 LYS A 88 -8.609 18.605 -0.518 1.00 10.40 H new ATOM 0 HB3 LYS A 88 -10.075 17.648 -0.595 1.00 10.40 H new ATOM 0 HG2 LYS A 88 -10.159 17.350 1.655 1.00 3.12 H new ATOM 0 HG3 LYS A 88 -8.431 17.090 1.793 1.00 3.12 H new ATOM 0 HD2 LYS A 88 -8.074 19.229 2.413 1.00 34.43 H new ATOM 0 HD3 LYS A 88 -8.959 19.846 1.033 1.00 34.43 H new ATOM 0 HE2 LYS A 88 -11.111 19.403 2.267 1.00 34.01 H new ATOM 0 HE3 LYS A 88 -10.175 18.900 3.660 1.00 34.01 H new ATOM 0 HZ1 LYS A 88 -11.009 21.372 3.338 1.00 31.24 H new ATOM 0 HZ2 LYS A 88 -9.551 21.015 4.133 1.00 31.24 H new ATOM 0 HZ3 LYS A 88 -9.533 21.516 2.511 1.00 31.24 H new ATOM 1364 N VAL A 89 -7.780 17.488 -2.836 1.00 12.54 N ATOM 1365 CA VAL A 89 -7.759 17.569 -4.292 1.00 13.43 C ATOM 1366 C VAL A 89 -7.177 16.299 -4.905 1.00 74.42 C ATOM 1367 O VAL A 89 -7.688 15.787 -5.901 1.00 33.30 O ATOM 1368 CB VAL A 89 -6.939 18.780 -4.775 1.00 32.11 C ATOM 1369 CG1 VAL A 89 -6.902 18.828 -6.295 1.00 51.13 C ATOM 1370 CG2 VAL A 89 -7.512 20.070 -4.207 1.00 12.11 C ATOM 0 H VAL A 89 -7.356 18.286 -2.363 1.00 12.54 H new ATOM 0 HA VAL A 89 -8.793 17.686 -4.617 1.00 13.43 H new ATOM 0 HB VAL A 89 -5.916 18.672 -4.414 1.00 32.11 H new ATOM 0 HG11 VAL A 89 -6.318 19.690 -6.618 1.00 51.13 H new ATOM 0 HG12 VAL A 89 -6.443 17.916 -6.677 1.00 51.13 H new ATOM 0 HG13 VAL A 89 -7.918 18.912 -6.681 1.00 51.13 H new ATOM 0 HG21 VAL A 89 -6.921 20.916 -4.558 1.00 12.11 H new ATOM 0 HG22 VAL A 89 -8.544 20.186 -4.538 1.00 12.11 H new ATOM 0 HG23 VAL A 89 -7.482 20.033 -3.118 1.00 12.11 H new ATOM 1380 N PHE A 90 -6.106 15.795 -4.302 1.00 52.42 N ATOM 1381 CA PHE A 90 -5.453 14.586 -4.788 1.00 4.21 C ATOM 1382 C PHE A 90 -6.348 13.367 -4.586 1.00 24.45 C ATOM 1383 O PHE A 90 -6.300 12.412 -5.362 1.00 73.25 O ATOM 1384 CB PHE A 90 -4.118 14.376 -4.070 1.00 52.43 C ATOM 1385 CG PHE A 90 -3.378 13.152 -4.527 1.00 21.02 C ATOM 1386 CD1 PHE A 90 -3.428 11.980 -3.788 1.00 62.43 C ATOM 1387 CD2 PHE A 90 -2.631 13.172 -5.693 1.00 4.40 C ATOM 1388 CE1 PHE A 90 -2.749 10.851 -4.205 1.00 32.35 C ATOM 1389 CE2 PHE A 90 -1.950 12.045 -6.115 1.00 12.12 C ATOM 1390 CZ PHE A 90 -2.007 10.884 -5.369 1.00 70.12 C ATOM 0 H PHE A 90 -5.672 16.205 -3.475 1.00 52.42 H new ATOM 0 HA PHE A 90 -5.268 14.708 -5.855 1.00 4.21 H new ATOM 0 HB2 PHE A 90 -3.488 15.252 -4.228 1.00 52.43 H new ATOM 0 HB3 PHE A 90 -4.299 14.302 -2.998 1.00 52.43 H new ATOM 0 HD1 PHE A 90 -4.005 11.949 -2.875 1.00 62.43 H new ATOM 0 HD2 PHE A 90 -2.580 14.078 -6.279 1.00 4.40 H new ATOM 0 HE1 PHE A 90 -2.799 9.944 -3.621 1.00 32.35 H new ATOM 0 HE2 PHE A 90 -1.374 12.073 -7.028 1.00 12.12 H new ATOM 0 HZ PHE A 90 -1.472 10.004 -5.695 1.00 70.12 H new ATOM 1400 N ALA A 91 -7.164 13.406 -3.538 1.00 75.53 N ATOM 1401 CA ALA A 91 -8.071 12.307 -3.234 1.00 32.03 C ATOM 1402 C ALA A 91 -9.181 12.206 -4.275 1.00 1.32 C ATOM 1403 O ALA A 91 -9.414 11.141 -4.847 1.00 10.21 O ATOM 1404 CB ALA A 91 -8.664 12.481 -1.843 1.00 21.33 C ATOM 0 H ALA A 91 -7.215 14.188 -2.885 1.00 75.53 H new ATOM 0 HA ALA A 91 -7.499 11.380 -3.260 1.00 32.03 H new ATOM 0 HB1 ALA A 91 -9.340 11.653 -1.629 1.00 21.33 H new ATOM 0 HB2 ALA A 91 -7.862 12.495 -1.105 1.00 21.33 H new ATOM 0 HB3 ALA A 91 -9.215 13.420 -1.797 1.00 21.33 H new ATOM 1410 N VAL A 92 -9.863 13.321 -4.516 1.00 23.34 N ATOM 1411 CA VAL A 92 -10.949 13.358 -5.488 1.00 52.20 C ATOM 1412 C VAL A 92 -10.414 13.253 -6.912 1.00 52.21 C ATOM 1413 O VAL A 92 -10.902 12.456 -7.712 1.00 31.21 O ATOM 1414 CB VAL A 92 -11.776 14.650 -5.357 1.00 51.03 C ATOM 1415 CG1 VAL A 92 -12.959 14.627 -6.313 1.00 12.41 C ATOM 1416 CG2 VAL A 92 -12.245 14.838 -3.921 1.00 54.43 C ATOM 0 H VAL A 92 -9.683 14.211 -4.051 1.00 23.34 H new ATOM 0 HA VAL A 92 -11.591 12.502 -5.279 1.00 52.20 H new ATOM 0 HB VAL A 92 -11.141 15.495 -5.623 1.00 51.03 H new ATOM 0 HG11 VAL A 92 -13.531 15.548 -6.206 1.00 12.41 H new ATOM 0 HG12 VAL A 92 -12.597 14.542 -7.338 1.00 12.41 H new ATOM 0 HG13 VAL A 92 -13.597 13.774 -6.082 1.00 12.41 H new ATOM 0 HG21 VAL A 92 -12.828 15.756 -3.846 1.00 54.43 H new ATOM 0 HG22 VAL A 92 -12.863 13.990 -3.626 1.00 54.43 H new ATOM 0 HG23 VAL A 92 -11.380 14.903 -3.261 1.00 54.43 H new ATOM 1426 N ALA A 93 -9.407 14.063 -7.222 1.00 53.20 N ATOM 1427 CA ALA A 93 -8.803 14.060 -8.548 1.00 23.31 C ATOM 1428 C ALA A 93 -7.990 12.790 -8.779 1.00 2.24 C ATOM 1429 O ALA A 93 -7.645 12.459 -9.912 1.00 51.31 O ATOM 1430 CB ALA A 93 -7.927 15.290 -8.733 1.00 21.53 C ATOM 0 H ALA A 93 -8.992 14.730 -6.572 1.00 53.20 H new ATOM 0 HA ALA A 93 -9.606 14.085 -9.285 1.00 23.31 H new ATOM 0 HB1 ALA A 93 -7.483 15.274 -9.728 1.00 21.53 H new ATOM 0 HB2 ALA A 93 -8.533 16.189 -8.621 1.00 21.53 H new ATOM 0 HB3 ALA A 93 -7.136 15.290 -7.983 1.00 21.53 H new ATOM 1436 N GLY A 94 -7.687 12.081 -7.695 1.00 75.22 N ATOM 1437 CA GLY A 94 -6.917 10.857 -7.800 1.00 32.03 C ATOM 1438 C GLY A 94 -7.780 9.617 -7.687 1.00 23.11 C ATOM 1439 O GLY A 94 -8.100 8.979 -8.692 1.00 33.12 O ATOM 0 H GLY A 94 -7.962 12.334 -6.746 1.00 75.22 H new ATOM 0 HA2 GLY A 94 -6.391 10.844 -8.754 1.00 32.03 H new ATOM 0 HA3 GLY A 94 -6.159 10.840 -7.017 1.00 32.03 H new ATOM 1443 N LEU A 95 -8.159 9.271 -6.461 1.00 53.23 N ATOM 1444 CA LEU A 95 -8.991 8.098 -6.220 1.00 23.25 C ATOM 1445 C LEU A 95 -10.301 8.189 -6.994 1.00 72.41 C ATOM 1446 O LEU A 95 -10.697 7.247 -7.681 1.00 50.24 O ATOM 1447 CB LEU A 95 -9.277 7.950 -4.724 1.00 31.44 C ATOM 1448 CG LEU A 95 -8.151 7.354 -3.879 1.00 51.25 C ATOM 1449 CD1 LEU A 95 -7.767 5.976 -4.397 1.00 75.31 C ATOM 1450 CD2 LEU A 95 -6.942 8.280 -3.875 1.00 24.05 C ATOM 0 H LEU A 95 -7.903 9.786 -5.619 1.00 53.23 H new ATOM 0 HA LEU A 95 -8.447 7.220 -6.568 1.00 23.25 H new ATOM 0 HB2 LEU A 95 -9.523 8.933 -4.323 1.00 31.44 H new ATOM 0 HB3 LEU A 95 -10.163 7.326 -4.604 1.00 31.44 H new ATOM 0 HG LEU A 95 -8.507 7.248 -2.854 1.00 51.25 H new ATOM 0 HD11 LEU A 95 -6.964 5.567 -3.783 1.00 75.31 H new ATOM 0 HD12 LEU A 95 -8.633 5.315 -4.349 1.00 75.31 H new ATOM 0 HD13 LEU A 95 -7.429 6.057 -5.430 1.00 75.31 H new ATOM 0 HD21 LEU A 95 -6.149 7.841 -3.269 1.00 24.05 H new ATOM 0 HD22 LEU A 95 -6.585 8.417 -4.896 1.00 24.05 H new ATOM 0 HD23 LEU A 95 -7.225 9.246 -3.457 1.00 24.05 H new ATOM 1462 N LEU A 96 -10.971 9.332 -6.880 1.00 13.44 N ATOM 1463 CA LEU A 96 -12.237 9.548 -7.570 1.00 60.55 C ATOM 1464 C LEU A 96 -12.004 9.897 -9.037 1.00 63.24 C ATOM 1465 O LEU A 96 -12.942 9.937 -9.832 1.00 1.23 O ATOM 1466 CB LEU A 96 -13.027 10.667 -6.889 1.00 33.52 C ATOM 1467 CG LEU A 96 -14.497 10.364 -6.589 1.00 50.30 C ATOM 1468 CD1 LEU A 96 -14.715 10.209 -5.092 1.00 12.22 C ATOM 1469 CD2 LEU A 96 -15.391 11.459 -7.150 1.00 64.12 C ATOM 0 H LEU A 96 -10.658 10.122 -6.316 1.00 13.44 H new ATOM 0 HA LEU A 96 -12.812 8.623 -7.521 1.00 60.55 H new ATOM 0 HB2 LEU A 96 -12.530 10.917 -5.952 1.00 33.52 H new ATOM 0 HB3 LEU A 96 -12.981 11.554 -7.521 1.00 33.52 H new ATOM 0 HG LEU A 96 -14.761 9.424 -7.073 1.00 50.30 H new ATOM 0 HD11 LEU A 96 -15.766 9.994 -4.898 1.00 12.22 H new ATOM 0 HD12 LEU A 96 -14.102 9.389 -4.718 1.00 12.22 H new ATOM 0 HD13 LEU A 96 -14.434 11.133 -4.586 1.00 12.22 H new ATOM 0 HD21 LEU A 96 -16.433 11.228 -6.928 1.00 64.12 H new ATOM 0 HD22 LEU A 96 -15.126 12.414 -6.695 1.00 64.12 H new ATOM 0 HD23 LEU A 96 -15.256 11.522 -8.230 1.00 64.12 H new ATOM 1481 N ASN A 97 -10.747 10.145 -9.388 1.00 52.44 N ATOM 1482 CA ASN A 97 -10.390 10.488 -10.760 1.00 70.22 C ATOM 1483 C ASN A 97 -11.271 11.619 -11.285 1.00 11.25 C ATOM 1484 O ASN A 97 -11.550 11.697 -12.481 1.00 54.33 O ATOM 1485 CB ASN A 97 -10.522 9.262 -11.665 1.00 61.03 C ATOM 1486 CG ASN A 97 -9.535 8.169 -11.306 1.00 32.04 C ATOM 1487 OD1 ASN A 97 -8.326 8.401 -11.252 1.00 30.42 O ATOM 1488 ND2 ASN A 97 -10.045 6.968 -11.057 1.00 71.54 N ATOM 0 H ASN A 97 -9.958 10.115 -8.742 1.00 52.44 H new ATOM 0 HA ASN A 97 -9.354 10.826 -10.766 1.00 70.22 H new ATOM 0 HB2 ASN A 97 -11.536 8.869 -11.594 1.00 61.03 H new ATOM 0 HB3 ASN A 97 -10.368 9.561 -12.702 1.00 61.03 H new ATOM 0 HD21 ASN A 97 -9.429 6.194 -10.810 1.00 71.54 H new ATOM 0 HD22 ASN A 97 -11.053 6.820 -11.113 1.00 71.54 H new ATOM 1495 N MET A 98 -11.703 12.493 -10.381 1.00 64.13 N ATOM 1496 CA MET A 98 -12.550 13.620 -10.754 1.00 23.21 C ATOM 1497 C MET A 98 -11.730 14.717 -11.425 1.00 63.22 C ATOM 1498 O MET A 98 -10.505 14.750 -11.309 1.00 74.35 O ATOM 1499 CB MET A 98 -13.261 14.179 -9.521 1.00 52.13 C ATOM 1500 CG MET A 98 -14.564 14.894 -9.842 1.00 43.12 C ATOM 1501 SD MET A 98 -14.509 16.652 -9.449 1.00 2.20 S ATOM 1502 CE MET A 98 -16.105 16.875 -8.667 1.00 53.31 C ATOM 0 H MET A 98 -11.481 12.442 -9.387 1.00 64.13 H new ATOM 0 HA MET A 98 -13.296 13.264 -11.464 1.00 23.21 H new ATOM 0 HB2 MET A 98 -13.465 13.363 -8.828 1.00 52.13 H new ATOM 0 HB3 MET A 98 -12.593 14.872 -9.009 1.00 52.13 H new ATOM 0 HG2 MET A 98 -14.790 14.770 -10.901 1.00 43.12 H new ATOM 0 HG3 MET A 98 -15.376 14.427 -9.285 1.00 43.12 H new ATOM 0 HE1 MET A 98 -16.221 17.916 -8.367 1.00 53.31 H new ATOM 0 HE2 MET A 98 -16.895 16.610 -9.370 1.00 53.31 H new ATOM 0 HE3 MET A 98 -16.172 16.234 -7.788 1.00 53.31 H new ATOM 1512 N THR A 99 -12.414 15.614 -12.129 1.00 72.51 N ATOM 1513 CA THR A 99 -11.750 16.712 -12.820 1.00 32.15 C ATOM 1514 C THR A 99 -11.800 17.992 -11.993 1.00 71.14 C ATOM 1515 O THR A 99 -12.409 18.982 -12.400 1.00 74.50 O ATOM 1516 CB THR A 99 -12.387 16.978 -14.196 1.00 5.02 C ATOM 1517 OG1 THR A 99 -11.812 18.150 -14.784 1.00 2.42 O ATOM 1518 CG2 THR A 99 -13.893 17.155 -14.070 1.00 45.52 C ATOM 0 H THR A 99 -13.428 15.601 -12.235 1.00 72.51 H new ATOM 0 HA THR A 99 -10.711 16.414 -12.961 1.00 32.15 H new ATOM 0 HB THR A 99 -12.190 16.117 -14.835 1.00 5.02 H new ATOM 0 HG1 THR A 99 -11.949 18.916 -14.188 1.00 2.42 H new ATOM 0 HG21 THR A 99 -14.321 17.342 -15.055 1.00 45.52 H new ATOM 0 HG22 THR A 99 -14.332 16.250 -13.649 1.00 45.52 H new ATOM 0 HG23 THR A 99 -14.107 18.000 -13.415 1.00 45.52 H new ATOM 1526 N VAL A 100 -11.155 17.966 -10.831 1.00 72.54 N ATOM 1527 CA VAL A 100 -11.125 19.127 -9.948 1.00 2.33 C ATOM 1528 C VAL A 100 -10.690 20.379 -10.701 1.00 20.20 C ATOM 1529 O VAL A 100 -9.634 20.401 -11.332 1.00 14.33 O ATOM 1530 CB VAL A 100 -10.175 18.901 -8.757 1.00 60.31 C ATOM 1531 CG1 VAL A 100 -10.130 20.134 -7.868 1.00 32.43 C ATOM 1532 CG2 VAL A 100 -10.599 17.675 -7.963 1.00 33.33 C ATOM 0 H VAL A 100 -10.647 17.155 -10.479 1.00 72.54 H new ATOM 0 HA VAL A 100 -12.139 19.266 -9.573 1.00 2.33 H new ATOM 0 HB VAL A 100 -9.171 18.725 -9.143 1.00 60.31 H new ATOM 0 HG11 VAL A 100 -9.454 19.955 -7.032 1.00 32.43 H new ATOM 0 HG12 VAL A 100 -9.775 20.987 -8.446 1.00 32.43 H new ATOM 0 HG13 VAL A 100 -11.129 20.345 -7.487 1.00 32.43 H new ATOM 0 HG21 VAL A 100 -9.917 17.530 -7.125 1.00 33.33 H new ATOM 0 HG22 VAL A 100 -11.612 17.818 -7.586 1.00 33.33 H new ATOM 0 HG23 VAL A 100 -10.573 16.797 -8.608 1.00 33.33 H new ATOM 1542 N SER A 101 -11.513 21.422 -10.629 1.00 2.54 N ATOM 1543 CA SER A 101 -11.214 22.677 -11.306 1.00 74.23 C ATOM 1544 C SER A 101 -10.264 23.532 -10.473 1.00 74.12 C ATOM 1545 O SER A 101 -9.247 24.017 -10.970 1.00 45.31 O ATOM 1546 CB SER A 101 -12.505 23.451 -11.582 1.00 71.20 C ATOM 1547 OG SER A 101 -12.777 23.510 -12.971 1.00 23.30 O ATOM 0 H SER A 101 -12.390 21.421 -10.109 1.00 2.54 H new ATOM 0 HA SER A 101 -10.728 22.443 -12.253 1.00 74.23 H new ATOM 0 HB2 SER A 101 -13.337 22.973 -11.065 1.00 71.20 H new ATOM 0 HB3 SER A 101 -12.420 24.461 -11.182 1.00 71.20 H new ATOM 0 HG SER A 101 -13.608 24.008 -13.121 1.00 23.30 H new ATOM 1553 N THR A 102 -10.604 23.715 -9.201 1.00 11.24 N ATOM 1554 CA THR A 102 -9.783 24.511 -8.297 1.00 71.20 C ATOM 1555 C THR A 102 -9.612 23.815 -6.952 1.00 12.34 C ATOM 1556 O THR A 102 -10.476 23.050 -6.524 1.00 70.01 O ATOM 1557 CB THR A 102 -10.394 25.906 -8.066 1.00 54.21 C ATOM 1558 OG1 THR A 102 -11.519 25.809 -7.187 1.00 74.12 O ATOM 1559 CG2 THR A 102 -10.826 26.532 -9.383 1.00 51.25 C ATOM 0 H THR A 102 -11.443 23.323 -8.773 1.00 11.24 H new ATOM 0 HA THR A 102 -8.808 24.623 -8.771 1.00 71.20 H new ATOM 0 HB THR A 102 -9.633 26.541 -7.612 1.00 54.21 H new ATOM 0 HG1 THR A 102 -11.900 26.700 -7.044 1.00 74.12 H new ATOM 0 HG21 THR A 102 -11.254 27.516 -9.195 1.00 51.25 H new ATOM 0 HG22 THR A 102 -9.961 26.632 -10.039 1.00 51.25 H new ATOM 0 HG23 THR A 102 -11.572 25.897 -9.860 1.00 51.25 H new ATOM 1567 N ALA A 103 -8.492 24.086 -6.289 1.00 2.14 N ATOM 1568 CA ALA A 103 -8.209 23.487 -4.990 1.00 61.14 C ATOM 1569 C ALA A 103 -9.376 23.688 -4.028 1.00 11.52 C ATOM 1570 O ALA A 103 -9.716 22.793 -3.255 1.00 1.31 O ATOM 1571 CB ALA A 103 -6.933 24.073 -4.405 1.00 50.31 C ATOM 0 H ALA A 103 -7.766 24.716 -6.630 1.00 2.14 H new ATOM 0 HA ALA A 103 -8.070 22.415 -5.134 1.00 61.14 H new ATOM 0 HB1 ALA A 103 -6.734 23.617 -3.435 1.00 50.31 H new ATOM 0 HB2 ALA A 103 -6.099 23.873 -5.078 1.00 50.31 H new ATOM 0 HB3 ALA A 103 -7.050 25.150 -4.282 1.00 50.31 H new ATOM 1577 N ALA A 104 -9.983 24.868 -4.080 1.00 53.01 N ATOM 1578 CA ALA A 104 -11.111 25.186 -3.213 1.00 4.20 C ATOM 1579 C ALA A 104 -12.312 24.300 -3.528 1.00 14.53 C ATOM 1580 O ALA A 104 -13.023 23.859 -2.626 1.00 1.32 O ATOM 1581 CB ALA A 104 -11.486 26.654 -3.351 1.00 45.13 C ATOM 0 H ALA A 104 -9.713 25.620 -4.714 1.00 53.01 H new ATOM 0 HA ALA A 104 -10.811 24.994 -2.183 1.00 4.20 H new ATOM 0 HB1 ALA A 104 -12.330 26.877 -2.698 1.00 45.13 H new ATOM 0 HB2 ALA A 104 -10.635 27.275 -3.070 1.00 45.13 H new ATOM 0 HB3 ALA A 104 -11.762 26.863 -4.384 1.00 45.13 H new ATOM 1587 N ALA A 105 -12.531 24.043 -4.814 1.00 73.13 N ATOM 1588 CA ALA A 105 -13.644 23.208 -5.246 1.00 43.14 C ATOM 1589 C ALA A 105 -13.529 21.799 -4.675 1.00 64.24 C ATOM 1590 O ALA A 105 -14.514 21.224 -4.213 1.00 40.44 O ATOM 1591 CB ALA A 105 -13.707 23.160 -6.767 1.00 35.50 C ATOM 0 H ALA A 105 -11.952 24.401 -5.574 1.00 73.13 H new ATOM 0 HA ALA A 105 -14.566 23.650 -4.868 1.00 43.14 H new ATOM 0 HB1 ALA A 105 -14.543 22.533 -7.077 1.00 35.50 H new ATOM 0 HB2 ALA A 105 -13.845 24.168 -7.157 1.00 35.50 H new ATOM 0 HB3 ALA A 105 -12.778 22.745 -7.157 1.00 35.50 H new ATOM 1597 N ALA A 106 -12.320 21.249 -4.711 1.00 14.05 N ATOM 1598 CA ALA A 106 -12.076 19.907 -4.194 1.00 53.35 C ATOM 1599 C ALA A 106 -12.391 19.826 -2.705 1.00 34.13 C ATOM 1600 O ALA A 106 -13.159 18.969 -2.270 1.00 72.34 O ATOM 1601 CB ALA A 106 -10.635 19.496 -4.455 1.00 1.05 C ATOM 0 H ALA A 106 -11.494 21.711 -5.092 1.00 14.05 H new ATOM 0 HA ALA A 106 -12.739 19.217 -4.716 1.00 53.35 H new ATOM 0 HB1 ALA A 106 -10.466 18.493 -4.064 1.00 1.05 H new ATOM 0 HB2 ALA A 106 -10.443 19.505 -5.528 1.00 1.05 H new ATOM 0 HB3 ALA A 106 -9.962 20.196 -3.960 1.00 1.05 H new ATOM 1607 N GLU A 107 -11.791 20.724 -1.929 1.00 24.25 N ATOM 1608 CA GLU A 107 -12.008 20.751 -0.487 1.00 33.31 C ATOM 1609 C GLU A 107 -13.468 21.050 -0.162 1.00 32.12 C ATOM 1610 O GLU A 107 -14.057 20.431 0.723 1.00 30.30 O ATOM 1611 CB GLU A 107 -11.103 21.799 0.167 1.00 21.50 C ATOM 1612 CG GLU A 107 -11.284 23.197 -0.400 1.00 31.05 C ATOM 1613 CD GLU A 107 -10.283 24.188 0.163 1.00 14.43 C ATOM 1614 OE1 GLU A 107 -9.296 24.496 -0.537 1.00 52.22 O ATOM 1615 OE2 GLU A 107 -10.486 24.654 1.303 1.00 11.13 O ATOM 0 H GLU A 107 -11.152 21.441 -2.274 1.00 24.25 H new ATOM 0 HA GLU A 107 -11.760 19.767 -0.089 1.00 33.31 H new ATOM 0 HB2 GLU A 107 -11.303 21.822 1.238 1.00 21.50 H new ATOM 0 HB3 GLU A 107 -10.063 21.497 0.043 1.00 21.50 H new ATOM 0 HG2 GLU A 107 -11.184 23.161 -1.485 1.00 31.05 H new ATOM 0 HG3 GLU A 107 -12.294 23.545 -0.185 1.00 31.05 H new ATOM 1622 N ASN A 108 -14.046 22.006 -0.883 1.00 5.41 N ATOM 1623 CA ASN A 108 -15.437 22.387 -0.672 1.00 75.13 C ATOM 1624 C ASN A 108 -16.362 21.186 -0.831 1.00 5.01 C ATOM 1625 O ASN A 108 -17.378 21.077 -0.146 1.00 21.44 O ATOM 1626 CB ASN A 108 -15.840 23.489 -1.655 1.00 34.22 C ATOM 1627 CG ASN A 108 -15.434 24.869 -1.174 1.00 60.33 C ATOM 1628 OD1 ASN A 108 -15.238 25.090 0.021 1.00 60.14 O ATOM 1629 ND2 ASN A 108 -15.308 25.806 -2.107 1.00 14.53 N ATOM 0 H ASN A 108 -13.572 22.531 -1.618 1.00 5.41 H new ATOM 0 HA ASN A 108 -15.533 22.763 0.346 1.00 75.13 H new ATOM 0 HB2 ASN A 108 -15.379 23.295 -2.624 1.00 34.22 H new ATOM 0 HB3 ASN A 108 -16.919 23.462 -1.804 1.00 34.22 H new ATOM 0 HD21 ASN A 108 -15.039 26.754 -1.844 1.00 14.53 H new ATOM 0 HD22 ASN A 108 -15.481 25.577 -3.086 1.00 14.53 H new ATOM 1636 N MET A 109 -16.002 20.285 -1.739 1.00 62.31 N ATOM 1637 CA MET A 109 -16.800 19.088 -1.986 1.00 52.34 C ATOM 1638 C MET A 109 -16.689 18.111 -0.821 1.00 3.54 C ATOM 1639 O MET A 109 -17.698 17.623 -0.310 1.00 42.33 O ATOM 1640 CB MET A 109 -16.350 18.410 -3.282 1.00 11.04 C ATOM 1641 CG MET A 109 -17.489 17.773 -4.061 1.00 30.42 C ATOM 1642 SD MET A 109 -18.350 16.500 -3.117 1.00 62.34 S ATOM 1643 CE MET A 109 -16.974 15.492 -2.573 1.00 54.43 C ATOM 0 H MET A 109 -15.164 20.360 -2.316 1.00 62.31 H new ATOM 0 HA MET A 109 -17.843 19.389 -2.085 1.00 52.34 H new ATOM 0 HB2 MET A 109 -15.855 19.147 -3.915 1.00 11.04 H new ATOM 0 HB3 MET A 109 -15.611 17.645 -3.045 1.00 11.04 H new ATOM 0 HG2 MET A 109 -18.200 18.545 -4.354 1.00 30.42 H new ATOM 0 HG3 MET A 109 -17.096 17.336 -4.979 1.00 30.42 H new ATOM 0 HE1 MET A 109 -17.193 14.442 -2.767 1.00 54.43 H new ATOM 0 HE2 MET A 109 -16.074 15.781 -3.116 1.00 54.43 H new ATOM 0 HE3 MET A 109 -16.816 15.638 -1.504 1.00 54.43 H new ATOM 1653 N TYR A 110 -15.459 17.829 -0.406 1.00 35.21 N ATOM 1654 CA TYR A 110 -15.218 16.908 0.698 1.00 5.32 C ATOM 1655 C TYR A 110 -16.060 17.280 1.913 1.00 31.14 C ATOM 1656 O TYR A 110 -16.578 16.411 2.614 1.00 24.13 O ATOM 1657 CB TYR A 110 -13.735 16.905 1.072 1.00 1.42 C ATOM 1658 CG TYR A 110 -13.022 15.620 0.715 1.00 11.04 C ATOM 1659 CD1 TYR A 110 -13.213 15.017 -0.522 1.00 62.05 C ATOM 1660 CD2 TYR A 110 -12.159 15.007 1.616 1.00 53.21 C ATOM 1661 CE1 TYR A 110 -12.565 13.842 -0.852 1.00 71.34 C ATOM 1662 CE2 TYR A 110 -11.506 13.834 1.293 1.00 1.42 C ATOM 1663 CZ TYR A 110 -11.711 13.255 0.058 1.00 25.50 C ATOM 1664 OH TYR A 110 -11.063 12.085 -0.266 1.00 73.43 O ATOM 0 H TYR A 110 -14.614 18.225 -0.817 1.00 35.21 H new ATOM 0 HA TYR A 110 -15.506 15.908 0.373 1.00 5.32 H new ATOM 0 HB2 TYR A 110 -13.241 17.736 0.569 1.00 1.42 H new ATOM 0 HB3 TYR A 110 -13.639 17.078 2.144 1.00 1.42 H new ATOM 0 HD1 TYR A 110 -13.880 15.475 -1.238 1.00 62.05 H new ATOM 0 HD2 TYR A 110 -11.997 15.456 2.585 1.00 53.21 H new ATOM 0 HE1 TYR A 110 -12.726 13.386 -1.817 1.00 71.34 H new ATOM 0 HE2 TYR A 110 -10.838 13.372 2.004 1.00 1.42 H new ATOM 0 HH TYR A 110 -10.498 11.805 0.484 1.00 73.43 H new ATOM 1674 N SER A 111 -16.193 18.580 2.157 1.00 22.30 N ATOM 1675 CA SER A 111 -16.970 19.070 3.290 1.00 50.43 C ATOM 1676 C SER A 111 -18.445 19.201 2.920 1.00 54.11 C ATOM 1677 O SER A 111 -19.324 19.013 3.760 1.00 31.33 O ATOM 1678 CB SER A 111 -16.428 20.421 3.760 1.00 31.33 C ATOM 1679 OG SER A 111 -17.448 21.197 4.366 1.00 42.43 O ATOM 0 H SER A 111 -15.773 19.313 1.585 1.00 22.30 H new ATOM 0 HA SER A 111 -16.880 18.348 4.102 1.00 50.43 H new ATOM 0 HB2 SER A 111 -15.616 20.264 4.470 1.00 31.33 H new ATOM 0 HB3 SER A 111 -16.009 20.963 2.912 1.00 31.33 H new ATOM 0 HG SER A 111 -17.076 22.055 4.659 1.00 42.43 H new ATOM 1685 N GLN A 112 -18.706 19.525 1.659 1.00 43.31 N ATOM 1686 CA GLN A 112 -20.074 19.683 1.178 1.00 62.02 C ATOM 1687 C GLN A 112 -20.871 18.398 1.375 1.00 20.33 C ATOM 1688 O GLN A 112 -21.949 18.410 1.968 1.00 44.12 O ATOM 1689 CB GLN A 112 -20.075 20.076 -0.300 1.00 62.24 C ATOM 1690 CG GLN A 112 -21.458 20.062 -0.931 1.00 44.34 C ATOM 1691 CD GLN A 112 -22.443 20.952 -0.200 1.00 20.11 C ATOM 1692 OE1 GLN A 112 -22.481 22.226 -0.573 1.00 33.21 O flip ATOM 1693 NE2 GLN A 112 -23.162 20.499 0.691 1.00 3.21 N flip ATOM 0 H GLN A 112 -17.989 19.683 0.951 1.00 43.31 H new ATOM 0 HA GLN A 112 -20.547 20.476 1.758 1.00 62.02 H new ATOM 0 HB2 GLN A 112 -19.648 21.073 -0.403 1.00 62.24 H new ATOM 0 HB3 GLN A 112 -19.427 19.393 -0.850 1.00 62.24 H new ATOM 0 HG2 GLN A 112 -21.383 20.386 -1.969 1.00 44.34 H new ATOM 0 HG3 GLN A 112 -21.837 19.040 -0.943 1.00 44.34 H new ATOM 0 HE21 GLN A 112 -23.099 19.513 0.945 1.00 3.21 H new ATOM 0 HE22 GLN A 112 -23.820 21.110 1.175 1.00 3.21 H new ATOM 1702 N MET A 113 -20.333 17.290 0.874 1.00 54.50 N ATOM 1703 CA MET A 113 -20.995 15.996 0.996 1.00 54.20 C ATOM 1704 C MET A 113 -20.581 15.294 2.286 1.00 45.54 C ATOM 1705 O MET A 113 -20.893 14.122 2.493 1.00 21.23 O ATOM 1706 CB MET A 113 -20.662 15.114 -0.208 1.00 23.31 C ATOM 1707 CG MET A 113 -21.454 15.468 -1.458 1.00 13.44 C ATOM 1708 SD MET A 113 -21.733 14.045 -2.529 1.00 23.32 S ATOM 1709 CE MET A 113 -20.048 13.564 -2.900 1.00 71.32 C ATOM 0 H MET A 113 -19.441 17.263 0.380 1.00 54.50 H new ATOM 0 HA MET A 113 -22.071 16.167 1.025 1.00 54.20 H new ATOM 0 HB2 MET A 113 -19.597 15.198 -0.426 1.00 23.31 H new ATOM 0 HB3 MET A 113 -20.853 14.073 0.051 1.00 23.31 H new ATOM 0 HG2 MET A 113 -22.415 15.893 -1.167 1.00 13.44 H new ATOM 0 HG3 MET A 113 -20.921 16.238 -2.015 1.00 13.44 H new ATOM 0 HE1 MET A 113 -19.974 12.477 -2.910 1.00 71.32 H new ATOM 0 HE2 MET A 113 -19.764 13.956 -3.877 1.00 71.32 H new ATOM 0 HE3 MET A 113 -19.379 13.966 -2.139 1.00 71.32 H new ATOM 1719 N GLY A 114 -19.875 16.019 3.149 1.00 22.33 N ATOM 1720 CA GLY A 114 -19.431 15.447 4.407 1.00 43.40 C ATOM 1721 C GLY A 114 -18.660 14.156 4.217 1.00 52.42 C ATOM 1722 O GLY A 114 -18.743 13.246 5.043 1.00 33.32 O ATOM 0 H GLY A 114 -19.603 16.991 3.000 1.00 22.33 H new ATOM 0 HA2 GLY A 114 -18.802 16.169 4.929 1.00 43.40 H new ATOM 0 HA3 GLY A 114 -20.296 15.260 5.043 1.00 43.40 H new ATOM 1726 N LEU A 115 -17.908 14.072 3.124 1.00 72.34 N ATOM 1727 CA LEU A 115 -17.121 12.882 2.826 1.00 11.11 C ATOM 1728 C LEU A 115 -18.021 11.665 2.638 1.00 30.51 C ATOM 1729 O LEU A 115 -17.575 10.525 2.759 1.00 1.44 O ATOM 1730 CB LEU A 115 -16.116 12.618 3.950 1.00 45.51 C ATOM 1731 CG LEU A 115 -14.678 13.063 3.682 1.00 52.12 C ATOM 1732 CD1 LEU A 115 -14.162 12.456 2.387 1.00 4.02 C ATOM 1733 CD2 LEU A 115 -14.591 14.582 3.632 1.00 24.23 C ATOM 0 H LEU A 115 -17.828 14.815 2.430 1.00 72.34 H new ATOM 0 HA LEU A 115 -16.581 13.058 1.896 1.00 11.11 H new ATOM 0 HB2 LEU A 115 -16.469 13.120 4.851 1.00 45.51 H new ATOM 0 HB3 LEU A 115 -16.111 11.549 4.162 1.00 45.51 H new ATOM 0 HG LEU A 115 -14.051 12.708 4.500 1.00 52.12 H new ATOM 0 HD11 LEU A 115 -13.137 12.785 2.214 1.00 4.02 H new ATOM 0 HD12 LEU A 115 -14.187 11.369 2.460 1.00 4.02 H new ATOM 0 HD13 LEU A 115 -14.791 12.779 1.558 1.00 4.02 H new ATOM 0 HD21 LEU A 115 -13.561 14.881 3.440 1.00 24.23 H new ATOM 0 HD22 LEU A 115 -15.232 14.957 2.834 1.00 24.23 H new ATOM 0 HD23 LEU A 115 -14.918 14.997 4.586 1.00 24.23 H new ATOM 1745 N ASP A 116 -19.292 11.917 2.338 1.00 13.44 N ATOM 1746 CA ASP A 116 -20.255 10.842 2.129 1.00 73.41 C ATOM 1747 C ASP A 116 -19.770 9.881 1.051 1.00 44.33 C ATOM 1748 O ASP A 116 -19.778 10.206 -0.137 1.00 51.42 O ATOM 1749 CB ASP A 116 -21.617 11.419 1.742 1.00 33.23 C ATOM 1750 CG ASP A 116 -22.595 10.348 1.301 1.00 44.25 C ATOM 1751 OD1 ASP A 116 -22.747 10.151 0.076 1.00 52.04 O ATOM 1752 OD2 ASP A 116 -23.207 9.706 2.178 1.00 23.03 O ATOM 0 H ASP A 116 -19.678 12.855 2.234 1.00 13.44 H new ATOM 0 HA ASP A 116 -20.355 10.289 3.063 1.00 73.41 H new ATOM 0 HB2 ASP A 116 -22.034 11.960 2.591 1.00 33.23 H new ATOM 0 HB3 ASP A 116 -21.487 12.142 0.937 1.00 33.23 H new ATOM 1757 N THR A 117 -19.347 8.692 1.470 1.00 51.25 N ATOM 1758 CA THR A 117 -18.856 7.684 0.540 1.00 5.43 C ATOM 1759 C THR A 117 -19.886 7.388 -0.545 1.00 35.31 C ATOM 1760 O THR A 117 -21.056 7.746 -0.416 1.00 72.03 O ATOM 1761 CB THR A 117 -18.504 6.372 1.268 1.00 71.24 C ATOM 1762 OG1 THR A 117 -19.652 5.876 1.966 1.00 74.43 O ATOM 1763 CG2 THR A 117 -17.361 6.587 2.249 1.00 73.14 C ATOM 0 H THR A 117 -19.335 8.404 2.448 1.00 51.25 H new ATOM 0 HA THR A 117 -17.955 8.090 0.081 1.00 5.43 H new ATOM 0 HB THR A 117 -18.189 5.642 0.523 1.00 71.24 H new ATOM 0 HG1 THR A 117 -19.421 5.041 2.425 1.00 74.43 H new ATOM 0 HG21 THR A 117 -17.130 5.647 2.751 1.00 73.14 H new ATOM 0 HG22 THR A 117 -16.480 6.936 1.710 1.00 73.14 H new ATOM 0 HG23 THR A 117 -17.652 7.332 2.990 1.00 73.14 H new ATOM 1771 N ARG A 118 -19.442 6.733 -1.613 1.00 20.01 N ATOM 1772 CA ARG A 118 -20.326 6.390 -2.720 1.00 42.10 C ATOM 1773 C ARG A 118 -20.026 4.987 -3.241 1.00 40.25 C ATOM 1774 O ARG A 118 -19.494 4.807 -4.337 1.00 24.14 O ATOM 1775 CB ARG A 118 -20.178 7.408 -3.852 1.00 32.41 C ATOM 1776 CG ARG A 118 -21.360 7.432 -4.808 1.00 53.33 C ATOM 1777 CD ARG A 118 -21.026 8.183 -6.088 1.00 44.01 C ATOM 1778 NE ARG A 118 -20.096 7.437 -6.932 1.00 44.13 N ATOM 1779 CZ ARG A 118 -19.689 7.855 -8.126 1.00 33.41 C ATOM 1780 NH1 ARG A 118 -20.127 9.009 -8.612 1.00 62.42 N ATOM 1781 NH2 ARG A 118 -18.842 7.121 -8.834 1.00 40.22 N ATOM 0 H ARG A 118 -18.476 6.430 -1.735 1.00 20.01 H new ATOM 0 HA ARG A 118 -21.352 6.411 -2.353 1.00 42.10 H new ATOM 0 HB2 ARG A 118 -20.049 8.401 -3.422 1.00 32.41 H new ATOM 0 HB3 ARG A 118 -19.271 7.184 -4.414 1.00 32.41 H new ATOM 0 HG2 ARG A 118 -21.654 6.411 -5.050 1.00 53.33 H new ATOM 0 HG3 ARG A 118 -22.214 7.903 -4.321 1.00 53.33 H new ATOM 0 HD2 ARG A 118 -21.943 8.379 -6.644 1.00 44.01 H new ATOM 0 HD3 ARG A 118 -20.592 9.151 -5.838 1.00 44.01 H new ATOM 0 HE ARG A 118 -19.739 6.546 -6.586 1.00 44.13 H new ATOM 0 HH11 ARG A 118 -20.777 9.577 -8.069 1.00 62.42 H new ATOM 0 HH12 ARG A 118 -19.813 9.328 -9.529 1.00 62.42 H new ATOM 0 HH21 ARG A 118 -18.502 6.234 -8.462 1.00 40.22 H new ATOM 0 HH22 ARG A 118 -18.531 7.443 -9.750 1.00 40.22 H new ATOM 1795 N PRO A 119 -20.374 3.971 -2.438 1.00 61.30 N ATOM 1796 CA PRO A 119 -20.152 2.567 -2.798 1.00 32.50 C ATOM 1797 C PRO A 119 -21.059 2.109 -3.934 1.00 64.21 C ATOM 1798 O PRO A 119 -21.870 2.882 -4.444 1.00 1.21 O ATOM 1799 CB PRO A 119 -20.489 1.813 -1.508 1.00 54.03 C ATOM 1800 CG PRO A 119 -21.431 2.710 -0.781 1.00 30.12 C ATOM 1801 CD PRO A 119 -21.012 4.113 -1.119 1.00 52.02 C ATOM 0 HA PRO A 119 -19.138 2.394 -3.157 1.00 32.50 H new ATOM 0 HB2 PRO A 119 -20.947 0.847 -1.722 1.00 54.03 H new ATOM 0 HB3 PRO A 119 -19.594 1.617 -0.918 1.00 54.03 H new ATOM 0 HG2 PRO A 119 -22.460 2.526 -1.088 1.00 30.12 H new ATOM 0 HG3 PRO A 119 -21.383 2.537 0.294 1.00 30.12 H new ATOM 0 HD2 PRO A 119 -21.866 4.789 -1.157 1.00 52.02 H new ATOM 0 HD3 PRO A 119 -20.320 4.515 -0.379 1.00 52.02 H new TER 1809 PRO A 119