USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot -36:sc= 1.25 USER MOD Set 1.2: A 118 ASN : amide:sc= 1.12 K(o=2.4,f=0.99) USER MOD Set 2.1: A 86 SER OG : rot 112:sc= 0.147 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.857 K(o=0.48,f=-3.3) USER MOD Set 2.3: A 110 THR OG1 : rot 138:sc= 1.19 USER MOD Single : A 5 ASN : amide:sc= -0.759 K(o=-0.76,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.61) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 15 THR OG1 : rot 39:sc= 0.0284 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= 1.27 (180deg=0.164!) USER MOD Single : A 56 ASN : amide:sc= -0.818 K(o=-0.82,f=-0.21) USER MOD Single : A 65 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.88 USER MOD Single : A 73 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.059) USER MOD Single : A 76 SER OG : rot 170:sc= 0 USER MOD Single : A 84 THR OG1 : rot 81:sc= 0.423 USER MOD Single : A 95 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3.6!) USER MOD Single : A 108 ASN : amide:sc= 1.21 K(o=1.2,f=-1.6!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.59) USER MOD Single : A 120 GLN : amide:sc= 0.269 K(o=0.27,f=-1.7!) USER MOD Single : A 122 MET CE :methyl -111:sc= -0.101 (180deg=-1.17) USER MOD Single : A 123 GLN : amide:sc= -4.12! K(o=-4.1!,f=-0.08) USER MOD Single : A 124 THR OG1 : rot 167:sc= 0.962 USER MOD Single : A 129 GLN : amide:sc= 0.999 K(o=1,f=-5.2!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 59.180 59.413 27.990 1.00 23.40 N ATOM 58 CA ASN A 5 58.963 58.009 27.716 1.00 13.20 C ATOM 59 C ASN A 5 59.552 57.614 26.387 1.00 55.22 C ATOM 60 O ASN A 5 58.980 57.892 25.324 1.00 24.13 O ATOM 61 CB ASN A 5 57.470 57.633 27.780 1.00 21.43 C ATOM 62 CG ASN A 5 56.825 57.856 29.149 1.00 32.01 C ATOM 63 OD1 ASN A 5 55.632 58.136 29.240 1.00 10.12 O ATOM 64 ND2 ASN A 5 57.584 57.719 30.212 1.00 32.13 N ATOM 0 HA ASN A 5 59.477 57.451 28.499 1.00 13.20 H new ATOM 0 HB2 ASN A 5 56.928 58.217 27.036 1.00 21.43 H new ATOM 0 HB3 ASN A 5 57.359 56.584 27.505 1.00 21.43 H new ATOM 0 HD21 ASN A 5 57.186 57.845 31.143 1.00 32.13 H new ATOM 0 HD22 ASN A 5 58.571 57.486 30.107 1.00 32.13 H new ATOM 71 N GLY A 6 60.688 56.975 26.441 1.00 61.31 N ATOM 72 CA GLY A 6 61.358 56.526 25.251 1.00 52.42 C ATOM 73 C GLY A 6 61.906 55.146 25.463 1.00 34.42 C ATOM 74 O GLY A 6 63.114 54.910 25.311 1.00 51.13 O ATOM 0 H GLY A 6 61.175 56.751 27.309 1.00 61.31 H new ATOM 0 HA2 GLY A 6 60.664 56.526 24.411 1.00 52.42 H new ATOM 0 HA3 GLY A 6 62.166 57.212 24.997 1.00 52.42 H new ATOM 78 N THR A 7 61.022 54.243 25.849 1.00 1.04 N ATOM 79 CA THR A 7 61.385 52.881 26.140 1.00 70.43 C ATOM 80 C THR A 7 61.891 52.189 24.858 1.00 74.01 C ATOM 81 O THR A 7 61.254 52.288 23.805 1.00 55.32 O ATOM 82 CB THR A 7 60.178 52.101 26.794 1.00 24.41 C ATOM 83 OG1 THR A 7 60.561 50.774 27.190 1.00 63.11 O ATOM 84 CG2 THR A 7 58.964 52.025 25.870 1.00 21.22 C ATOM 0 H THR A 7 60.029 54.442 25.968 1.00 1.04 H new ATOM 0 HA THR A 7 62.195 52.877 26.869 1.00 70.43 H new ATOM 0 HB THR A 7 59.897 52.672 27.679 1.00 24.41 H new ATOM 0 HG1 THR A 7 59.793 50.318 27.593 1.00 63.11 H new ATOM 0 HG21 THR A 7 58.162 51.479 26.367 1.00 21.22 H new ATOM 0 HG22 THR A 7 58.624 53.033 25.633 1.00 21.22 H new ATOM 0 HG23 THR A 7 59.239 51.509 24.950 1.00 21.22 H new ATOM 92 N PRO A 8 63.080 51.563 24.903 1.00 42.14 N ATOM 93 CA PRO A 8 63.643 50.876 23.742 1.00 1.31 C ATOM 94 C PRO A 8 62.736 49.738 23.280 1.00 23.25 C ATOM 95 O PRO A 8 62.340 48.888 24.076 1.00 43.52 O ATOM 96 CB PRO A 8 64.970 50.310 24.263 1.00 12.10 C ATOM 97 CG PRO A 8 65.289 51.125 25.464 1.00 1.51 C ATOM 98 CD PRO A 8 63.974 51.490 26.072 1.00 23.50 C ATOM 0 HA PRO A 8 63.761 51.540 22.886 1.00 1.31 H new ATOM 0 HB2 PRO A 8 64.877 49.254 24.516 1.00 12.10 H new ATOM 0 HB3 PRO A 8 65.756 50.390 23.512 1.00 12.10 H new ATOM 0 HG2 PRO A 8 65.901 50.561 26.167 1.00 1.51 H new ATOM 0 HG3 PRO A 8 65.855 52.016 25.192 1.00 1.51 H new ATOM 0 HD2 PRO A 8 63.639 50.742 26.790 1.00 23.50 H new ATOM 0 HD3 PRO A 8 64.024 52.441 26.602 1.00 23.50 H new ATOM 106 N GLU A 9 62.402 49.731 22.022 1.00 53.25 N ATOM 107 CA GLU A 9 61.560 48.703 21.478 1.00 53.41 C ATOM 108 C GLU A 9 62.413 47.693 20.726 1.00 65.44 C ATOM 109 O GLU A 9 63.077 48.042 19.738 1.00 4.51 O ATOM 110 CB GLU A 9 60.469 49.299 20.583 1.00 63.31 C ATOM 111 CG GLU A 9 59.541 50.259 21.322 1.00 55.04 C ATOM 112 CD GLU A 9 58.400 50.743 20.471 1.00 14.32 C ATOM 113 OE1 GLU A 9 57.447 49.966 20.242 1.00 43.34 O ATOM 114 OE2 GLU A 9 58.414 51.902 20.016 1.00 43.42 O ATOM 0 H GLU A 9 62.703 50.433 21.347 1.00 53.25 H new ATOM 0 HA GLU A 9 61.053 48.189 22.294 1.00 53.41 H new ATOM 0 HB2 GLU A 9 60.938 49.825 19.752 1.00 63.31 H new ATOM 0 HB3 GLU A 9 59.877 48.490 20.155 1.00 63.31 H new ATOM 0 HG2 GLU A 9 59.142 49.762 22.206 1.00 55.04 H new ATOM 0 HG3 GLU A 9 60.117 51.116 21.670 1.00 55.04 H new ATOM 121 N PRO A 10 62.448 46.445 21.208 1.00 60.24 N ATOM 122 CA PRO A 10 63.279 45.401 20.629 1.00 71.42 C ATOM 123 C PRO A 10 62.772 44.880 19.294 1.00 62.10 C ATOM 124 O PRO A 10 61.599 44.504 19.146 1.00 31.40 O ATOM 125 CB PRO A 10 63.260 44.289 21.674 1.00 3.55 C ATOM 126 CG PRO A 10 61.994 44.489 22.438 1.00 61.22 C ATOM 127 CD PRO A 10 61.682 45.958 22.379 1.00 72.22 C ATOM 0 HA PRO A 10 64.275 45.785 20.407 1.00 71.42 H new ATOM 0 HB2 PRO A 10 63.284 43.306 21.203 1.00 3.55 H new ATOM 0 HB3 PRO A 10 64.129 44.350 22.329 1.00 3.55 H new ATOM 0 HG2 PRO A 10 61.183 43.903 22.004 1.00 61.22 H new ATOM 0 HG3 PRO A 10 62.109 44.159 23.470 1.00 61.22 H new ATOM 0 HD2 PRO A 10 60.613 46.134 22.257 1.00 72.22 H new ATOM 0 HD3 PRO A 10 61.986 46.467 23.294 1.00 72.22 H new ATOM 135 N GLN A 11 63.652 44.858 18.337 1.00 73.24 N ATOM 136 CA GLN A 11 63.358 44.326 17.042 1.00 55.21 C ATOM 137 C GLN A 11 64.089 42.996 16.958 1.00 14.44 C ATOM 138 O GLN A 11 65.327 42.954 16.913 1.00 74.01 O ATOM 139 CB GLN A 11 63.846 45.306 15.949 1.00 41.34 C ATOM 140 CG GLN A 11 63.290 45.074 14.529 1.00 31.25 C ATOM 141 CD GLN A 11 63.688 43.753 13.895 1.00 64.14 C ATOM 142 OE1 GLN A 11 62.996 42.754 14.029 1.00 63.34 O ATOM 143 NE2 GLN A 11 64.800 43.740 13.217 1.00 65.24 N ATOM 0 H GLN A 11 64.603 45.213 18.436 1.00 73.24 H new ATOM 0 HA GLN A 11 62.288 44.187 16.889 1.00 55.21 H new ATOM 0 HB2 GLN A 11 63.587 46.319 16.257 1.00 41.34 H new ATOM 0 HB3 GLN A 11 64.934 45.255 15.904 1.00 41.34 H new ATOM 0 HG2 GLN A 11 62.202 45.129 14.567 1.00 31.25 H new ATOM 0 HG3 GLN A 11 63.628 45.886 13.885 1.00 31.25 H new ATOM 0 HE21 GLN A 11 65.352 44.593 13.126 1.00 65.24 H new ATOM 0 HE22 GLN A 11 65.119 42.877 12.777 1.00 65.24 H new ATOM 152 N VAL A 12 63.355 41.929 17.005 1.00 14.03 N ATOM 153 CA VAL A 12 63.936 40.616 16.949 1.00 32.04 C ATOM 154 C VAL A 12 63.309 39.835 15.806 1.00 2.10 C ATOM 155 O VAL A 12 62.089 39.890 15.601 1.00 0.53 O ATOM 156 CB VAL A 12 63.791 39.857 18.314 1.00 33.43 C ATOM 157 CG1 VAL A 12 62.332 39.703 18.743 1.00 3.03 C ATOM 158 CG2 VAL A 12 64.487 38.503 18.270 1.00 4.05 C ATOM 0 H VAL A 12 62.338 41.939 17.083 1.00 14.03 H new ATOM 0 HA VAL A 12 65.006 40.715 16.764 1.00 32.04 H new ATOM 0 HB VAL A 12 64.284 40.473 19.067 1.00 33.43 H new ATOM 0 HG11 VAL A 12 62.286 39.171 19.693 1.00 3.03 H new ATOM 0 HG12 VAL A 12 61.880 40.688 18.857 1.00 3.03 H new ATOM 0 HG13 VAL A 12 61.788 39.139 17.985 1.00 3.03 H new ATOM 0 HG21 VAL A 12 64.369 38.002 19.231 1.00 4.05 H new ATOM 0 HG22 VAL A 12 64.044 37.891 17.484 1.00 4.05 H new ATOM 0 HG23 VAL A 12 65.548 38.646 18.064 1.00 4.05 H new ATOM 168 N GLU A 13 64.126 39.155 15.043 1.00 22.53 N ATOM 169 CA GLU A 13 63.631 38.405 13.927 1.00 12.04 C ATOM 170 C GLU A 13 63.649 36.913 14.227 1.00 21.53 C ATOM 171 O GLU A 13 64.638 36.376 14.741 1.00 74.04 O ATOM 172 CB GLU A 13 64.434 38.700 12.659 1.00 62.21 C ATOM 173 CG GLU A 13 63.916 37.963 11.430 1.00 20.13 C ATOM 174 CD GLU A 13 64.738 38.213 10.207 1.00 62.03 C ATOM 175 OE1 GLU A 13 65.727 37.485 9.984 1.00 32.32 O ATOM 176 OE2 GLU A 13 64.404 39.130 9.431 1.00 63.11 O ATOM 0 H GLU A 13 65.136 39.108 15.177 1.00 22.53 H new ATOM 0 HA GLU A 13 62.600 38.714 13.755 1.00 12.04 H new ATOM 0 HB2 GLU A 13 64.413 39.773 12.466 1.00 62.21 H new ATOM 0 HB3 GLU A 13 65.476 38.426 12.826 1.00 62.21 H new ATOM 0 HG2 GLU A 13 63.898 36.893 11.636 1.00 20.13 H new ATOM 0 HG3 GLU A 13 62.887 38.268 11.238 1.00 20.13 H new ATOM 183 N THR A 14 62.548 36.278 13.970 1.00 44.12 N ATOM 184 CA THR A 14 62.409 34.854 14.083 1.00 31.21 C ATOM 185 C THR A 14 61.341 34.399 13.095 1.00 51.35 C ATOM 186 O THR A 14 60.143 34.658 13.283 1.00 50.53 O ATOM 187 CB THR A 14 62.046 34.415 15.527 1.00 31.34 C ATOM 188 OG1 THR A 14 63.093 34.837 16.422 1.00 44.43 O ATOM 189 CG2 THR A 14 61.903 32.898 15.614 1.00 43.41 C ATOM 0 H THR A 14 61.695 36.747 13.667 1.00 44.12 H new ATOM 0 HA THR A 14 63.365 34.385 13.851 1.00 31.21 H new ATOM 0 HB THR A 14 61.096 34.873 15.803 1.00 31.34 H new ATOM 0 HG1 THR A 14 62.871 34.565 17.337 1.00 44.43 H new ATOM 0 HG21 THR A 14 61.648 32.615 16.635 1.00 43.41 H new ATOM 0 HG22 THR A 14 61.114 32.568 14.938 1.00 43.41 H new ATOM 0 HG23 THR A 14 62.844 32.427 15.331 1.00 43.41 H new ATOM 197 N THR A 15 61.775 33.777 12.038 1.00 55.24 N ATOM 198 CA THR A 15 60.915 33.329 11.011 1.00 2.13 C ATOM 199 C THR A 15 60.575 31.855 11.204 1.00 44.03 C ATOM 200 O THR A 15 61.468 30.989 11.304 1.00 33.44 O ATOM 201 CB THR A 15 61.551 33.607 9.636 1.00 33.42 C ATOM 202 OG1 THR A 15 62.931 33.179 9.640 1.00 10.50 O ATOM 203 CG2 THR A 15 61.490 35.093 9.313 1.00 2.21 C ATOM 0 H THR A 15 62.760 33.568 11.873 1.00 55.24 H new ATOM 0 HA THR A 15 59.976 33.880 11.057 1.00 2.13 H new ATOM 0 HB THR A 15 60.995 33.054 8.879 1.00 33.42 H new ATOM 0 HG1 THR A 15 63.011 32.339 10.138 1.00 10.50 H new ATOM 0 HG21 THR A 15 61.944 35.272 8.338 1.00 2.21 H new ATOM 0 HG22 THR A 15 60.450 35.419 9.295 1.00 2.21 H new ATOM 0 HG23 THR A 15 62.033 35.653 10.074 1.00 2.21 H new ATOM 211 N SER A 16 59.306 31.597 11.291 1.00 72.12 N ATOM 212 CA SER A 16 58.782 30.277 11.530 1.00 41.12 C ATOM 213 C SER A 16 58.757 29.471 10.229 1.00 74.03 C ATOM 214 O SER A 16 57.971 29.745 9.311 1.00 62.01 O ATOM 215 CB SER A 16 57.372 30.369 12.155 1.00 4.30 C ATOM 216 OG SER A 16 56.862 29.092 12.524 1.00 64.03 O ATOM 0 H SER A 16 58.585 32.312 11.196 1.00 72.12 H new ATOM 0 HA SER A 16 59.433 29.759 12.234 1.00 41.12 H new ATOM 0 HB2 SER A 16 57.408 31.012 13.035 1.00 4.30 H new ATOM 0 HB3 SER A 16 56.692 30.838 11.445 1.00 4.30 H new ATOM 0 HG SER A 16 55.970 29.197 12.916 1.00 64.03 H new ATOM 222 N VAL A 17 59.636 28.508 10.153 1.00 63.42 N ATOM 223 CA VAL A 17 59.740 27.626 9.021 1.00 3.32 C ATOM 224 C VAL A 17 58.696 26.535 9.166 1.00 20.14 C ATOM 225 O VAL A 17 58.537 25.957 10.246 1.00 43.13 O ATOM 226 CB VAL A 17 61.166 26.996 8.942 1.00 72.43 C ATOM 227 CG1 VAL A 17 61.296 26.016 7.780 1.00 24.12 C ATOM 228 CG2 VAL A 17 62.219 28.084 8.826 1.00 23.13 C ATOM 0 H VAL A 17 60.313 28.311 10.890 1.00 63.42 H new ATOM 0 HA VAL A 17 59.571 28.189 8.103 1.00 3.32 H new ATOM 0 HB VAL A 17 61.324 26.437 9.864 1.00 72.43 H new ATOM 0 HG11 VAL A 17 62.304 25.602 7.764 1.00 24.12 H new ATOM 0 HG12 VAL A 17 60.574 25.208 7.903 1.00 24.12 H new ATOM 0 HG13 VAL A 17 61.102 26.536 6.842 1.00 24.12 H new ATOM 0 HG21 VAL A 17 63.208 27.629 8.772 1.00 23.13 H new ATOM 0 HG22 VAL A 17 62.039 28.670 7.924 1.00 23.13 H new ATOM 0 HG23 VAL A 17 62.167 28.735 9.698 1.00 23.13 H new ATOM 616 N GLY A 45 4.515 -16.411 1.000 1.00 14.42 N ATOM 617 CA GLY A 45 3.362 -16.011 1.762 1.00 45.12 C ATOM 618 C GLY A 45 3.313 -14.512 1.929 1.00 23.34 C ATOM 619 O GLY A 45 2.915 -14.008 2.974 1.00 13.32 O ATOM 0 HA2 GLY A 45 2.456 -16.354 1.263 1.00 45.12 H new ATOM 0 HA3 GLY A 45 3.386 -16.488 2.742 1.00 45.12 H new ATOM 623 N SER A 46 3.696 -13.799 0.893 1.00 51.52 N ATOM 624 CA SER A 46 3.732 -12.355 0.933 1.00 5.31 C ATOM 625 C SER A 46 2.375 -11.797 0.459 1.00 34.54 C ATOM 626 O SER A 46 1.624 -12.502 -0.206 1.00 33.44 O ATOM 627 CB SER A 46 4.862 -11.890 0.026 1.00 44.44 C ATOM 628 OG SER A 46 6.065 -12.618 0.313 1.00 0.44 O ATOM 0 H SER A 46 3.990 -14.202 0.003 1.00 51.52 H new ATOM 0 HA SER A 46 3.909 -11.994 1.946 1.00 5.31 H new ATOM 0 HB2 SER A 46 4.582 -12.034 -1.018 1.00 44.44 H new ATOM 0 HB3 SER A 46 5.033 -10.823 0.165 1.00 44.44 H new ATOM 0 HG SER A 46 6.783 -12.310 -0.279 1.00 0.44 H new ATOM 634 N ALA A 47 2.066 -10.560 0.801 1.00 42.13 N ATOM 635 CA ALA A 47 0.766 -9.977 0.464 1.00 31.40 C ATOM 636 C ALA A 47 0.920 -8.834 -0.529 1.00 12.03 C ATOM 637 O ALA A 47 2.043 -8.472 -0.884 1.00 73.45 O ATOM 638 CB ALA A 47 0.050 -9.516 1.715 1.00 13.03 C ATOM 0 H ALA A 47 2.691 -9.935 1.311 1.00 42.13 H new ATOM 0 HA ALA A 47 0.160 -10.749 -0.011 1.00 31.40 H new ATOM 0 HB1 ALA A 47 -0.914 -9.086 1.445 1.00 13.03 H new ATOM 0 HB2 ALA A 47 -0.106 -10.366 2.379 1.00 13.03 H new ATOM 0 HB3 ALA A 47 0.653 -8.764 2.223 1.00 13.03 H new ATOM 644 N LEU A 48 -0.186 -8.239 -0.944 1.00 61.11 N ATOM 645 CA LEU A 48 -0.149 -7.241 -1.991 1.00 42.53 C ATOM 646 C LEU A 48 -0.940 -5.985 -1.642 1.00 15.13 C ATOM 647 O LEU A 48 -1.824 -6.005 -0.767 1.00 43.55 O ATOM 648 CB LEU A 48 -0.594 -7.863 -3.352 1.00 22.35 C ATOM 649 CG LEU A 48 -1.926 -8.669 -3.399 1.00 61.31 C ATOM 650 CD1 LEU A 48 -3.158 -7.788 -3.228 1.00 33.23 C ATOM 651 CD2 LEU A 48 -2.016 -9.465 -4.692 1.00 53.44 C ATOM 0 H LEU A 48 -1.116 -8.431 -0.571 1.00 61.11 H new ATOM 0 HA LEU A 48 0.885 -6.911 -2.092 1.00 42.53 H new ATOM 0 HB2 LEU A 48 -0.670 -7.053 -4.078 1.00 22.35 H new ATOM 0 HB3 LEU A 48 0.205 -8.522 -3.693 1.00 22.35 H new ATOM 0 HG LEU A 48 -1.911 -9.354 -2.551 1.00 61.31 H new ATOM 0 HD11 LEU A 48 -4.055 -8.405 -3.269 1.00 33.23 H new ATOM 0 HD12 LEU A 48 -3.111 -7.280 -2.265 1.00 33.23 H new ATOM 0 HD13 LEU A 48 -3.190 -7.048 -4.027 1.00 33.23 H new ATOM 0 HD21 LEU A 48 -2.952 -10.023 -4.711 1.00 53.44 H new ATOM 0 HD22 LEU A 48 -1.983 -8.783 -5.542 1.00 53.44 H new ATOM 0 HD23 LEU A 48 -1.178 -10.159 -4.751 1.00 53.44 H new ATOM 663 N LEU A 49 -0.613 -4.905 -2.312 1.00 50.41 N ATOM 664 CA LEU A 49 -1.309 -3.655 -2.146 1.00 45.43 C ATOM 665 C LEU A 49 -1.933 -3.233 -3.467 1.00 1.51 C ATOM 666 O LEU A 49 -1.400 -3.549 -4.542 1.00 74.04 O ATOM 667 CB LEU A 49 -0.399 -2.558 -1.510 1.00 20.34 C ATOM 668 CG LEU A 49 0.944 -2.192 -2.200 1.00 71.24 C ATOM 669 CD1 LEU A 49 0.742 -1.429 -3.503 1.00 41.34 C ATOM 670 CD2 LEU A 49 1.820 -1.388 -1.252 1.00 44.54 C ATOM 0 H LEU A 49 0.148 -4.871 -2.991 1.00 50.41 H new ATOM 0 HA LEU A 49 -2.121 -3.794 -1.432 1.00 45.43 H new ATOM 0 HB2 LEU A 49 -0.989 -1.645 -1.436 1.00 20.34 H new ATOM 0 HB3 LEU A 49 -0.170 -2.872 -0.492 1.00 20.34 H new ATOM 0 HG LEU A 49 1.441 -3.129 -2.450 1.00 71.24 H new ATOM 0 HD11 LEU A 49 1.712 -1.198 -3.944 1.00 41.34 H new ATOM 0 HD12 LEU A 49 0.164 -2.040 -4.197 1.00 41.34 H new ATOM 0 HD13 LEU A 49 0.205 -0.502 -3.302 1.00 41.34 H new ATOM 0 HD21 LEU A 49 2.758 -1.138 -1.747 1.00 44.54 H new ATOM 0 HD22 LEU A 49 1.303 -0.471 -0.969 1.00 44.54 H new ATOM 0 HD23 LEU A 49 2.027 -1.978 -0.359 1.00 44.54 H new ATOM 682 N VAL A 50 -3.057 -2.567 -3.389 1.00 41.24 N ATOM 683 CA VAL A 50 -3.839 -2.166 -4.551 1.00 31.43 C ATOM 684 C VAL A 50 -4.182 -0.671 -4.441 1.00 25.45 C ATOM 685 O VAL A 50 -4.305 -0.128 -3.331 1.00 21.10 O ATOM 686 CB VAL A 50 -5.165 -3.012 -4.675 1.00 51.55 C ATOM 687 CG1 VAL A 50 -5.909 -2.718 -5.973 1.00 14.14 C ATOM 688 CG2 VAL A 50 -4.889 -4.507 -4.560 1.00 44.52 C ATOM 0 H VAL A 50 -3.470 -2.278 -2.502 1.00 41.24 H new ATOM 0 HA VAL A 50 -3.243 -2.348 -5.445 1.00 31.43 H new ATOM 0 HB VAL A 50 -5.802 -2.712 -3.843 1.00 51.55 H new ATOM 0 HG11 VAL A 50 -6.816 -3.322 -6.018 1.00 14.14 H new ATOM 0 HG12 VAL A 50 -6.174 -1.661 -6.009 1.00 14.14 H new ATOM 0 HG13 VAL A 50 -5.270 -2.961 -6.822 1.00 14.14 H new ATOM 0 HG21 VAL A 50 -5.825 -5.058 -4.650 1.00 44.52 H new ATOM 0 HG22 VAL A 50 -4.210 -4.814 -5.355 1.00 44.52 H new ATOM 0 HG23 VAL A 50 -4.435 -4.720 -3.592 1.00 44.52 H new ATOM 698 N VAL A 51 -4.316 -0.008 -5.566 1.00 31.44 N ATOM 699 CA VAL A 51 -4.649 1.401 -5.582 1.00 63.43 C ATOM 700 C VAL A 51 -6.169 1.608 -5.580 1.00 52.54 C ATOM 701 O VAL A 51 -6.900 1.150 -6.464 1.00 74.32 O ATOM 702 CB VAL A 51 -4.053 2.094 -6.865 1.00 23.44 C ATOM 703 CG1 VAL A 51 -4.448 1.344 -8.136 1.00 1.53 C ATOM 704 CG2 VAL A 51 -4.537 3.523 -6.983 1.00 64.33 C ATOM 0 H VAL A 51 -4.199 -0.424 -6.490 1.00 31.44 H new ATOM 0 HA VAL A 51 -4.221 1.847 -4.684 1.00 63.43 H new ATOM 0 HB VAL A 51 -2.968 2.079 -6.757 1.00 23.44 H new ATOM 0 HG11 VAL A 51 -4.021 1.848 -9.003 1.00 1.53 H new ATOM 0 HG12 VAL A 51 -4.071 0.322 -8.088 1.00 1.53 H new ATOM 0 HG13 VAL A 51 -5.534 1.326 -8.225 1.00 1.53 H new ATOM 0 HG21 VAL A 51 -4.111 3.979 -7.877 1.00 64.33 H new ATOM 0 HG22 VAL A 51 -5.625 3.534 -7.053 1.00 64.33 H new ATOM 0 HG23 VAL A 51 -4.224 4.087 -6.104 1.00 64.33 H new ATOM 714 N LYS A 52 -6.645 2.249 -4.539 1.00 10.23 N ATOM 715 CA LYS A 52 -8.024 2.611 -4.490 1.00 34.41 C ATOM 716 C LYS A 52 -8.172 4.047 -4.978 1.00 13.22 C ATOM 717 O LYS A 52 -9.092 4.362 -5.703 1.00 50.03 O ATOM 718 CB LYS A 52 -8.622 2.396 -3.092 1.00 42.54 C ATOM 719 CG LYS A 52 -10.111 2.713 -3.022 1.00 64.24 C ATOM 720 CD LYS A 52 -10.751 2.294 -1.706 1.00 11.22 C ATOM 721 CE LYS A 52 -10.752 0.775 -1.538 1.00 23.04 C ATOM 722 NZ LYS A 52 -11.517 0.356 -0.352 1.00 24.11 N ATOM 0 H LYS A 52 -6.096 2.525 -3.725 1.00 10.23 H new ATOM 0 HA LYS A 52 -8.595 1.959 -5.151 1.00 34.41 H new ATOM 0 HB2 LYS A 52 -8.463 1.361 -2.791 1.00 42.54 H new ATOM 0 HB3 LYS A 52 -8.090 3.022 -2.376 1.00 42.54 H new ATOM 0 HG2 LYS A 52 -10.255 3.784 -3.164 1.00 64.24 H new ATOM 0 HG3 LYS A 52 -10.622 2.211 -3.843 1.00 64.24 H new ATOM 0 HD2 LYS A 52 -10.212 2.752 -0.877 1.00 11.22 H new ATOM 0 HD3 LYS A 52 -11.775 2.666 -1.664 1.00 11.22 H new ATOM 0 HE2 LYS A 52 -11.178 0.311 -2.428 1.00 23.04 H new ATOM 0 HE3 LYS A 52 -9.726 0.418 -1.453 1.00 23.04 H new ATOM 0 HZ1 LYS A 52 -11.055 -0.466 0.086 1.00 24.11 H new ATOM 0 HZ2 LYS A 52 -11.553 1.138 0.332 1.00 24.11 H new ATOM 0 HZ3 LYS A 52 -12.484 0.100 -0.636 1.00 24.11 H new ATOM 736 N ARG A 53 -7.230 4.897 -4.601 1.00 31.01 N ATOM 737 CA ARG A 53 -7.210 6.283 -5.067 1.00 63.45 C ATOM 738 C ARG A 53 -5.771 6.802 -5.029 1.00 51.21 C ATOM 739 O ARG A 53 -5.313 7.224 -3.986 1.00 21.45 O ATOM 740 CB ARG A 53 -8.136 7.184 -4.214 1.00 14.52 C ATOM 741 CG ARG A 53 -8.263 8.633 -4.703 1.00 10.12 C ATOM 742 CD ARG A 53 -9.034 8.741 -6.018 1.00 1.02 C ATOM 743 NE ARG A 53 -9.072 10.130 -6.517 1.00 1.33 N ATOM 744 CZ ARG A 53 -10.112 10.732 -7.126 1.00 5.24 C ATOM 745 NH1 ARG A 53 -11.311 10.149 -7.164 1.00 1.40 N ATOM 746 NH2 ARG A 53 -9.955 11.941 -7.650 1.00 24.21 N ATOM 0 H ARG A 53 -6.465 4.654 -3.972 1.00 31.01 H new ATOM 0 HA ARG A 53 -7.586 6.313 -6.090 1.00 63.45 H new ATOM 0 HB2 ARG A 53 -9.130 6.737 -4.189 1.00 14.52 H new ATOM 0 HB3 ARG A 53 -7.765 7.194 -3.189 1.00 14.52 H new ATOM 0 HG2 ARG A 53 -8.766 9.228 -3.941 1.00 10.12 H new ATOM 0 HG3 ARG A 53 -7.268 9.058 -4.833 1.00 10.12 H new ATOM 0 HD2 ARG A 53 -8.569 8.098 -6.766 1.00 1.02 H new ATOM 0 HD3 ARG A 53 -10.052 8.378 -5.874 1.00 1.02 H new ATOM 0 HE ARG A 53 -8.228 10.688 -6.388 1.00 1.33 H new ATOM 0 HH11 ARG A 53 -11.449 9.237 -6.729 1.00 1.40 H new ATOM 0 HH12 ARG A 53 -12.090 10.615 -7.628 1.00 1.40 H new ATOM 0 HH21 ARG A 53 -9.051 12.409 -7.590 1.00 24.21 H new ATOM 0 HH22 ARG A 53 -10.739 12.402 -8.112 1.00 24.21 H new ATOM 760 N GLY A 54 -5.067 6.590 -6.153 1.00 34.31 N ATOM 761 CA GLY A 54 -3.653 7.026 -6.446 1.00 2.44 C ATOM 762 C GLY A 54 -2.693 7.365 -5.278 1.00 62.41 C ATOM 763 O GLY A 54 -2.116 8.438 -5.283 1.00 31.10 O ATOM 0 H GLY A 54 -5.474 6.083 -6.939 1.00 34.31 H new ATOM 0 HA2 GLY A 54 -3.184 6.236 -7.033 1.00 2.44 H new ATOM 0 HA3 GLY A 54 -3.710 7.907 -7.085 1.00 2.44 H new ATOM 767 N PRO A 55 -2.476 6.478 -4.279 1.00 35.14 N ATOM 768 CA PRO A 55 -1.592 6.793 -3.154 1.00 52.13 C ATOM 769 C PRO A 55 -0.096 6.815 -3.523 1.00 11.24 C ATOM 770 O PRO A 55 0.655 7.681 -3.093 1.00 63.44 O ATOM 771 CB PRO A 55 -1.891 5.689 -2.151 1.00 30.33 C ATOM 772 CG PRO A 55 -2.309 4.536 -2.991 1.00 24.20 C ATOM 773 CD PRO A 55 -2.993 5.105 -4.192 1.00 31.00 C ATOM 0 HA PRO A 55 -1.777 7.799 -2.776 1.00 52.13 H new ATOM 0 HB2 PRO A 55 -1.013 5.447 -1.551 1.00 30.33 H new ATOM 0 HB3 PRO A 55 -2.679 5.983 -1.458 1.00 30.33 H new ATOM 0 HG2 PRO A 55 -1.446 3.938 -3.284 1.00 24.20 H new ATOM 0 HG3 PRO A 55 -2.980 3.878 -2.439 1.00 24.20 H new ATOM 0 HD2 PRO A 55 -2.762 4.534 -5.091 1.00 31.00 H new ATOM 0 HD3 PRO A 55 -4.077 5.093 -4.077 1.00 31.00 H new ATOM 781 N ASN A 56 0.322 5.865 -4.354 1.00 62.42 N ATOM 782 CA ASN A 56 1.735 5.672 -4.630 1.00 60.22 C ATOM 783 C ASN A 56 2.009 5.503 -6.115 1.00 62.30 C ATOM 784 O ASN A 56 2.317 6.446 -6.806 1.00 21.11 O ATOM 785 CB ASN A 56 2.277 4.413 -3.898 1.00 24.21 C ATOM 786 CG ASN A 56 2.264 4.465 -2.384 1.00 44.24 C ATOM 787 OD1 ASN A 56 1.268 4.143 -1.756 1.00 25.15 O ATOM 788 ND2 ASN A 56 3.380 4.795 -1.793 1.00 21.11 N ATOM 0 H ASN A 56 -0.298 5.221 -4.845 1.00 62.42 H new ATOM 0 HA ASN A 56 2.240 6.569 -4.270 1.00 60.22 H new ATOM 0 HB2 ASN A 56 1.690 3.552 -4.217 1.00 24.21 H new ATOM 0 HB3 ASN A 56 3.302 4.240 -4.227 1.00 24.21 H new ATOM 0 HD21 ASN A 56 3.439 4.789 -0.775 1.00 21.11 H new ATOM 0 HD22 ASN A 56 4.193 5.059 -2.349 1.00 21.11 H new ATOM 795 N ALA A 57 1.862 4.279 -6.598 1.00 51.54 N ATOM 796 CA ALA A 57 2.218 3.949 -7.968 1.00 31.04 C ATOM 797 C ALA A 57 1.012 3.910 -8.889 1.00 42.34 C ATOM 798 O ALA A 57 1.158 3.759 -10.097 1.00 52.11 O ATOM 799 CB ALA A 57 2.939 2.614 -7.991 1.00 73.24 C ATOM 0 H ALA A 57 1.497 3.495 -6.058 1.00 51.54 H new ATOM 0 HA ALA A 57 2.873 4.737 -8.340 1.00 31.04 H new ATOM 0 HB1 ALA A 57 3.208 2.363 -9.017 1.00 73.24 H new ATOM 0 HB2 ALA A 57 3.843 2.678 -7.385 1.00 73.24 H new ATOM 0 HB3 ALA A 57 2.285 1.841 -7.588 1.00 73.24 H new ATOM 805 N GLY A 58 -0.173 4.035 -8.311 1.00 1.52 N ATOM 806 CA GLY A 58 -1.395 3.972 -9.098 1.00 32.54 C ATOM 807 C GLY A 58 -1.583 2.615 -9.764 1.00 30.23 C ATOM 808 O GLY A 58 -2.030 2.534 -10.913 1.00 61.00 O ATOM 0 H GLY A 58 -0.314 4.179 -7.311 1.00 1.52 H new ATOM 0 HA2 GLY A 58 -2.250 4.180 -8.455 1.00 32.54 H new ATOM 0 HA3 GLY A 58 -1.373 4.749 -9.862 1.00 32.54 H new ATOM 812 N ALA A 59 -1.268 1.556 -9.033 1.00 44.52 N ATOM 813 CA ALA A 59 -1.334 0.202 -9.545 1.00 5.30 C ATOM 814 C ALA A 59 -1.475 -0.764 -8.371 1.00 40.32 C ATOM 815 O ALA A 59 -1.838 -0.342 -7.247 1.00 30.41 O ATOM 816 CB ALA A 59 -0.060 -0.101 -10.331 1.00 1.53 C ATOM 0 H ALA A 59 -0.958 1.616 -8.063 1.00 44.52 H new ATOM 0 HA ALA A 59 -2.192 0.089 -10.207 1.00 5.30 H new ATOM 0 HB1 ALA A 59 -0.105 -1.119 -10.718 1.00 1.53 H new ATOM 0 HB2 ALA A 59 0.031 0.600 -11.161 1.00 1.53 H new ATOM 0 HB3 ALA A 59 0.805 -0.000 -9.675 1.00 1.53 H new ATOM 822 N ARG A 60 -1.220 -2.023 -8.619 1.00 24.42 N ATOM 823 CA ARG A 60 -1.233 -3.028 -7.595 1.00 22.31 C ATOM 824 C ARG A 60 0.023 -3.861 -7.729 1.00 43.21 C ATOM 825 O ARG A 60 0.464 -4.151 -8.852 1.00 71.52 O ATOM 826 CB ARG A 60 -2.492 -3.914 -7.690 1.00 63.53 C ATOM 827 CG ARG A 60 -2.638 -4.685 -8.992 1.00 43.53 C ATOM 828 CD ARG A 60 -3.883 -5.549 -8.984 1.00 43.03 C ATOM 829 NE ARG A 60 -4.010 -6.335 -10.217 1.00 24.24 N ATOM 830 CZ ARG A 60 -5.036 -7.149 -10.508 1.00 72.13 C ATOM 831 NH1 ARG A 60 -6.016 -7.329 -9.634 1.00 41.12 N ATOM 832 NH2 ARG A 60 -5.053 -7.805 -11.659 1.00 20.11 N ATOM 0 H ARG A 60 -0.996 -2.380 -9.548 1.00 24.42 H new ATOM 0 HA ARG A 60 -1.259 -2.547 -6.617 1.00 22.31 H new ATOM 0 HB2 ARG A 60 -2.481 -4.625 -6.864 1.00 63.53 H new ATOM 0 HB3 ARG A 60 -3.372 -3.284 -7.557 1.00 63.53 H new ATOM 0 HG2 ARG A 60 -2.683 -3.987 -9.828 1.00 43.53 H new ATOM 0 HG3 ARG A 60 -1.759 -5.311 -9.147 1.00 43.53 H new ATOM 0 HD2 ARG A 60 -3.853 -6.221 -8.126 1.00 43.03 H new ATOM 0 HD3 ARG A 60 -4.763 -4.917 -8.864 1.00 43.03 H new ATOM 0 HE ARG A 60 -3.261 -6.256 -10.905 1.00 24.24 H new ATOM 0 HH11 ARG A 60 -5.992 -6.848 -8.735 1.00 41.12 H new ATOM 0 HH12 ARG A 60 -6.794 -7.949 -9.860 1.00 41.12 H new ATOM 0 HH21 ARG A 60 -4.287 -7.691 -12.322 1.00 20.11 H new ATOM 0 HH22 ARG A 60 -5.832 -8.424 -11.882 1.00 20.11 H new ATOM 846 N PHE A 61 0.626 -4.208 -6.623 1.00 31.43 N ATOM 847 CA PHE A 61 1.819 -5.008 -6.647 1.00 10.13 C ATOM 848 C PHE A 61 2.021 -5.750 -5.351 1.00 41.04 C ATOM 849 O PHE A 61 1.505 -5.347 -4.294 1.00 22.13 O ATOM 850 CB PHE A 61 3.080 -4.206 -7.056 1.00 54.15 C ATOM 851 CG PHE A 61 3.446 -3.013 -6.196 1.00 1.24 C ATOM 852 CD1 PHE A 61 4.214 -3.168 -5.048 1.00 71.34 C ATOM 853 CD2 PHE A 61 3.059 -1.734 -6.567 1.00 42.32 C ATOM 854 CE1 PHE A 61 4.576 -2.074 -4.286 1.00 54.22 C ATOM 855 CE2 PHE A 61 3.416 -0.637 -5.804 1.00 60.21 C ATOM 856 CZ PHE A 61 4.178 -0.807 -4.664 1.00 13.31 C ATOM 0 H PHE A 61 0.307 -3.947 -5.690 1.00 31.43 H new ATOM 0 HA PHE A 61 1.669 -5.752 -7.430 1.00 10.13 H new ATOM 0 HB2 PHE A 61 3.928 -4.890 -7.065 1.00 54.15 H new ATOM 0 HB3 PHE A 61 2.942 -3.856 -8.079 1.00 54.15 H new ATOM 0 HD1 PHE A 61 4.532 -4.156 -4.748 1.00 71.34 H new ATOM 0 HD2 PHE A 61 2.472 -1.593 -7.462 1.00 42.32 H new ATOM 0 HE1 PHE A 61 5.170 -2.210 -3.395 1.00 54.22 H new ATOM 0 HE2 PHE A 61 3.099 0.352 -6.099 1.00 60.21 H new ATOM 0 HZ PHE A 61 4.462 0.049 -4.070 1.00 13.31 H new ATOM 866 N LEU A 62 2.725 -6.841 -5.456 1.00 12.43 N ATOM 867 CA LEU A 62 3.045 -7.697 -4.348 1.00 33.42 C ATOM 868 C LEU A 62 4.213 -7.104 -3.581 1.00 73.34 C ATOM 869 O LEU A 62 5.155 -6.562 -4.194 1.00 72.13 O ATOM 870 CB LEU A 62 3.462 -9.069 -4.894 1.00 62.31 C ATOM 871 CG LEU A 62 3.761 -10.157 -3.871 1.00 71.34 C ATOM 872 CD1 LEU A 62 2.487 -10.630 -3.203 1.00 53.11 C ATOM 873 CD2 LEU A 62 4.504 -11.312 -4.519 1.00 70.04 C ATOM 0 H LEU A 62 3.105 -7.170 -6.344 1.00 12.43 H new ATOM 0 HA LEU A 62 2.181 -7.795 -3.691 1.00 33.42 H new ATOM 0 HB2 LEU A 62 2.669 -9.429 -5.549 1.00 62.31 H new ATOM 0 HB3 LEU A 62 4.349 -8.932 -5.513 1.00 62.31 H new ATOM 0 HG LEU A 62 4.405 -9.736 -3.099 1.00 71.34 H new ATOM 0 HD11 LEU A 62 2.724 -11.407 -2.476 1.00 53.11 H new ATOM 0 HD12 LEU A 62 2.009 -9.792 -2.695 1.00 53.11 H new ATOM 0 HD13 LEU A 62 1.809 -11.032 -3.956 1.00 53.11 H new ATOM 0 HD21 LEU A 62 4.708 -12.079 -3.771 1.00 70.04 H new ATOM 0 HD22 LEU A 62 3.893 -11.736 -5.316 1.00 70.04 H new ATOM 0 HD23 LEU A 62 5.445 -10.952 -4.935 1.00 70.04 H new ATOM 885 N LEU A 63 4.159 -7.166 -2.270 1.00 65.23 N ATOM 886 CA LEU A 63 5.284 -6.750 -1.477 1.00 4.14 C ATOM 887 C LEU A 63 6.231 -7.916 -1.434 1.00 34.13 C ATOM 888 O LEU A 63 5.906 -8.969 -0.886 1.00 2.22 O ATOM 889 CB LEU A 63 4.890 -6.326 -0.039 1.00 61.33 C ATOM 890 CG LEU A 63 4.084 -5.016 0.139 1.00 72.41 C ATOM 891 CD1 LEU A 63 2.679 -5.118 -0.438 1.00 74.23 C ATOM 892 CD2 LEU A 63 4.032 -4.622 1.608 1.00 63.42 C ATOM 0 H LEU A 63 3.355 -7.498 -1.738 1.00 65.23 H new ATOM 0 HA LEU A 63 5.737 -5.867 -1.928 1.00 4.14 H new ATOM 0 HB2 LEU A 63 4.310 -7.137 0.401 1.00 61.33 H new ATOM 0 HB3 LEU A 63 5.806 -6.236 0.545 1.00 61.33 H new ATOM 0 HG LEU A 63 4.603 -4.238 -0.421 1.00 72.41 H new ATOM 0 HD11 LEU A 63 2.155 -4.174 -0.288 1.00 74.23 H new ATOM 0 HD12 LEU A 63 2.739 -5.335 -1.505 1.00 74.23 H new ATOM 0 HD13 LEU A 63 2.136 -5.918 0.065 1.00 74.23 H new ATOM 0 HD21 LEU A 63 3.462 -3.699 1.717 1.00 63.42 H new ATOM 0 HD22 LEU A 63 3.551 -5.415 2.181 1.00 63.42 H new ATOM 0 HD23 LEU A 63 5.045 -4.469 1.980 1.00 63.42 H new ATOM 904 N ASP A 64 7.375 -7.744 -2.018 1.00 63.55 N ATOM 905 CA ASP A 64 8.333 -8.824 -2.140 1.00 52.23 C ATOM 906 C ASP A 64 9.546 -8.540 -1.300 1.00 30.20 C ATOM 907 O ASP A 64 10.501 -9.304 -1.295 1.00 34.25 O ATOM 908 CB ASP A 64 8.747 -9.025 -3.611 1.00 43.11 C ATOM 909 CG ASP A 64 9.587 -7.887 -4.169 1.00 74.14 C ATOM 910 OD1 ASP A 64 9.036 -6.805 -4.465 1.00 31.04 O ATOM 911 OD2 ASP A 64 10.804 -8.066 -4.368 1.00 74.22 O ATOM 0 H ASP A 64 7.681 -6.860 -2.425 1.00 63.55 H new ATOM 0 HA ASP A 64 7.861 -9.740 -1.786 1.00 52.23 H new ATOM 0 HB2 ASP A 64 9.308 -9.956 -3.698 1.00 43.11 H new ATOM 0 HB3 ASP A 64 7.850 -9.136 -4.220 1.00 43.11 H new ATOM 916 N GLN A 65 9.491 -7.459 -0.579 1.00 63.25 N ATOM 917 CA GLN A 65 10.573 -7.046 0.264 1.00 61.51 C ATOM 918 C GLN A 65 10.039 -6.946 1.691 1.00 44.23 C ATOM 919 O GLN A 65 8.897 -6.526 1.876 1.00 62.32 O ATOM 920 CB GLN A 65 11.134 -5.698 -0.235 1.00 13.33 C ATOM 921 CG GLN A 65 10.167 -4.538 -0.116 1.00 52.13 C ATOM 922 CD GLN A 65 10.641 -3.296 -0.818 1.00 43.10 C ATOM 923 OE1 GLN A 65 11.364 -2.476 -0.245 1.00 25.03 O ATOM 924 NE2 GLN A 65 10.183 -3.108 -2.023 1.00 2.11 N ATOM 0 H GLN A 65 8.686 -6.833 -0.560 1.00 63.25 H new ATOM 0 HA GLN A 65 11.392 -7.765 0.239 1.00 61.51 H new ATOM 0 HB2 GLN A 65 12.037 -5.463 0.329 1.00 13.33 H new ATOM 0 HB3 GLN A 65 11.429 -5.805 -1.279 1.00 13.33 H new ATOM 0 HG2 GLN A 65 9.202 -4.834 -0.528 1.00 52.13 H new ATOM 0 HG3 GLN A 65 10.008 -4.313 0.939 1.00 52.13 H new ATOM 0 HE21 GLN A 65 9.588 -3.813 -2.458 1.00 2.11 H new ATOM 0 HE22 GLN A 65 10.419 -2.256 -2.531 1.00 2.11 H new ATOM 933 N PRO A 66 10.833 -7.358 2.706 1.00 2.12 N ATOM 934 CA PRO A 66 10.402 -7.360 4.121 1.00 51.20 C ATOM 935 C PRO A 66 9.920 -5.996 4.567 1.00 32.24 C ATOM 936 O PRO A 66 8.857 -5.849 5.161 1.00 22.11 O ATOM 937 CB PRO A 66 11.682 -7.709 4.879 1.00 41.34 C ATOM 938 CG PRO A 66 12.511 -8.443 3.903 1.00 43.44 C ATOM 939 CD PRO A 66 12.209 -7.859 2.562 1.00 32.21 C ATOM 0 HA PRO A 66 9.574 -8.048 4.290 1.00 51.20 H new ATOM 0 HB2 PRO A 66 12.189 -6.811 5.233 1.00 41.34 H new ATOM 0 HB3 PRO A 66 11.468 -8.321 5.755 1.00 41.34 H new ATOM 0 HG2 PRO A 66 13.570 -8.341 4.140 1.00 43.44 H new ATOM 0 HG3 PRO A 66 12.281 -9.508 3.923 1.00 43.44 H new ATOM 0 HD2 PRO A 66 12.903 -7.058 2.308 1.00 32.21 H new ATOM 0 HD3 PRO A 66 12.283 -8.607 1.773 1.00 32.21 H new ATOM 947 N THR A 67 10.709 -5.014 4.299 1.00 31.35 N ATOM 948 CA THR A 67 10.359 -3.674 4.647 1.00 74.24 C ATOM 949 C THR A 67 10.320 -2.794 3.404 1.00 43.22 C ATOM 950 O THR A 67 11.348 -2.512 2.797 1.00 72.25 O ATOM 951 CB THR A 67 11.329 -3.115 5.699 1.00 71.50 C ATOM 952 OG1 THR A 67 11.347 -4.024 6.821 1.00 64.00 O ATOM 953 CG2 THR A 67 10.877 -1.738 6.177 1.00 35.44 C ATOM 0 H THR A 67 11.612 -5.112 3.835 1.00 31.35 H new ATOM 0 HA THR A 67 9.361 -3.678 5.086 1.00 74.24 H new ATOM 0 HB THR A 67 12.322 -3.016 5.259 1.00 71.50 H new ATOM 0 HG1 THR A 67 11.962 -3.687 7.505 1.00 64.00 H new ATOM 0 HG21 THR A 67 11.579 -1.363 6.921 1.00 35.44 H new ATOM 0 HG22 THR A 67 10.844 -1.052 5.331 1.00 35.44 H new ATOM 0 HG23 THR A 67 9.884 -1.815 6.621 1.00 35.44 H new ATOM 961 N THR A 68 9.140 -2.419 3.013 1.00 1.12 N ATOM 962 CA THR A 68 8.950 -1.576 1.873 1.00 64.43 C ATOM 963 C THR A 68 8.935 -0.122 2.349 1.00 61.31 C ATOM 964 O THR A 68 8.066 0.273 3.137 1.00 75.43 O ATOM 965 CB THR A 68 7.611 -1.914 1.201 1.00 32.11 C ATOM 966 OG1 THR A 68 7.460 -3.340 1.153 1.00 43.22 O ATOM 967 CG2 THR A 68 7.576 -1.378 -0.218 1.00 5.42 C ATOM 0 H THR A 68 8.275 -2.692 3.480 1.00 1.12 H new ATOM 0 HA THR A 68 9.754 -1.727 1.153 1.00 64.43 H new ATOM 0 HB THR A 68 6.805 -1.458 1.777 1.00 32.11 H new ATOM 0 HG1 THR A 68 6.607 -3.564 0.727 1.00 43.22 H new ATOM 0 HG21 THR A 68 6.620 -1.627 -0.678 1.00 5.42 H new ATOM 0 HG22 THR A 68 7.699 -0.295 -0.201 1.00 5.42 H new ATOM 0 HG23 THR A 68 8.384 -1.826 -0.796 1.00 5.42 H new ATOM 975 N THR A 69 9.908 0.639 1.938 1.00 34.34 N ATOM 976 CA THR A 69 9.996 2.019 2.327 1.00 41.11 C ATOM 977 C THR A 69 9.274 2.909 1.322 1.00 52.44 C ATOM 978 O THR A 69 9.565 2.866 0.127 1.00 75.34 O ATOM 979 CB THR A 69 11.470 2.451 2.469 1.00 12.24 C ATOM 980 OG1 THR A 69 12.225 1.997 1.326 1.00 40.12 O ATOM 981 CG2 THR A 69 12.080 1.899 3.748 1.00 5.34 C ATOM 0 H THR A 69 10.661 0.323 1.326 1.00 34.34 H new ATOM 0 HA THR A 69 9.510 2.131 3.296 1.00 41.11 H new ATOM 0 HB THR A 69 11.506 3.539 2.518 1.00 12.24 H new ATOM 0 HG1 THR A 69 13.160 2.275 1.420 1.00 40.12 H new ATOM 0 HG21 THR A 69 13.119 2.219 3.823 1.00 5.34 H new ATOM 0 HG22 THR A 69 11.523 2.272 4.607 1.00 5.34 H new ATOM 0 HG23 THR A 69 12.036 0.810 3.732 1.00 5.34 H new ATOM 989 N ALA A 70 8.315 3.672 1.795 1.00 31.13 N ATOM 990 CA ALA A 70 7.587 4.583 0.953 1.00 51.14 C ATOM 991 C ALA A 70 7.963 6.005 1.290 1.00 61.14 C ATOM 992 O ALA A 70 7.828 6.437 2.442 1.00 71.21 O ATOM 993 CB ALA A 70 6.088 4.382 1.108 1.00 44.22 C ATOM 0 H ALA A 70 8.021 3.676 2.772 1.00 31.13 H new ATOM 0 HA ALA A 70 7.850 4.381 -0.085 1.00 51.14 H new ATOM 0 HB1 ALA A 70 5.558 5.082 0.462 1.00 44.22 H new ATOM 0 HB2 ALA A 70 5.827 3.361 0.829 1.00 44.22 H new ATOM 0 HB3 ALA A 70 5.803 4.559 2.145 1.00 44.22 H new ATOM 999 N GLY A 71 8.450 6.718 0.318 1.00 41.54 N ATOM 1000 CA GLY A 71 8.810 8.089 0.521 1.00 70.44 C ATOM 1001 C GLY A 71 8.988 8.799 -0.785 1.00 64.42 C ATOM 1002 O GLY A 71 8.174 8.634 -1.699 1.00 63.13 O ATOM 0 H GLY A 71 8.608 6.370 -0.628 1.00 41.54 H new ATOM 0 HA2 GLY A 71 8.038 8.588 1.107 1.00 70.44 H new ATOM 0 HA3 GLY A 71 9.734 8.144 1.097 1.00 70.44 H new ATOM 1006 N ARG A 72 10.032 9.576 -0.866 1.00 34.31 N ATOM 1007 CA ARG A 72 10.410 10.295 -2.058 1.00 50.14 C ATOM 1008 C ARG A 72 11.863 10.639 -1.921 1.00 74.33 C ATOM 1009 O ARG A 72 12.213 11.700 -1.400 1.00 1.24 O ATOM 1010 CB ARG A 72 9.598 11.576 -2.236 1.00 75.25 C ATOM 1011 CG ARG A 72 9.872 12.343 -3.525 1.00 42.31 C ATOM 1012 CD ARG A 72 9.407 11.578 -4.756 1.00 61.33 C ATOM 1013 NE ARG A 72 7.953 11.320 -4.747 1.00 13.40 N ATOM 1014 CZ ARG A 72 7.133 11.501 -5.803 1.00 10.10 C ATOM 1015 NH1 ARG A 72 7.609 11.976 -6.951 1.00 40.54 N ATOM 1016 NH2 ARG A 72 5.849 11.192 -5.702 1.00 3.14 N ATOM 0 H ARG A 72 10.665 9.733 -0.082 1.00 34.31 H new ATOM 0 HA ARG A 72 10.219 9.673 -2.932 1.00 50.14 H new ATOM 0 HB2 ARG A 72 8.538 11.324 -2.200 1.00 75.25 H new ATOM 0 HB3 ARG A 72 9.798 12.234 -1.391 1.00 75.25 H new ATOM 0 HG2 ARG A 72 9.367 13.308 -3.486 1.00 42.31 H new ATOM 0 HG3 ARG A 72 10.940 12.545 -3.606 1.00 42.31 H new ATOM 0 HD2 ARG A 72 9.667 12.144 -5.651 1.00 61.33 H new ATOM 0 HD3 ARG A 72 9.941 10.629 -4.813 1.00 61.33 H new ATOM 0 HE ARG A 72 7.538 10.980 -3.879 1.00 13.40 H new ATOM 0 HH11 ARG A 72 8.599 12.206 -7.037 1.00 40.54 H new ATOM 0 HH12 ARG A 72 6.984 12.111 -7.746 1.00 40.54 H new ATOM 0 HH21 ARG A 72 5.482 10.818 -4.827 1.00 3.14 H new ATOM 0 HH22 ARG A 72 5.227 11.328 -6.499 1.00 3.14 H new ATOM 1030 N HIS A 73 12.685 9.708 -2.290 1.00 14.42 N ATOM 1031 CA HIS A 73 14.113 9.823 -2.188 1.00 75.44 C ATOM 1032 C HIS A 73 14.645 8.513 -2.731 1.00 74.40 C ATOM 1033 O HIS A 73 13.939 7.514 -2.632 1.00 14.15 O ATOM 1034 CB HIS A 73 14.514 9.986 -0.700 1.00 54.42 C ATOM 1035 CG HIS A 73 15.665 10.915 -0.478 1.00 30.53 C ATOM 1036 ND1 HIS A 73 16.630 10.734 0.476 1.00 50.24 N ATOM 1037 CD2 HIS A 73 15.961 12.086 -1.090 1.00 34.32 C ATOM 1038 CE1 HIS A 73 17.465 11.770 0.421 1.00 73.32 C ATOM 1039 NE2 HIS A 73 17.103 12.622 -0.519 1.00 70.43 N ATOM 0 H HIS A 73 12.376 8.819 -2.683 1.00 14.42 H new ATOM 0 HA HIS A 73 14.506 10.682 -2.731 1.00 75.44 H new ATOM 0 HB2 HIS A 73 13.653 10.351 -0.140 1.00 54.42 H new ATOM 0 HB3 HIS A 73 14.767 9.007 -0.293 1.00 54.42 H new ATOM 0 HD2 HIS A 73 15.396 12.531 -1.896 1.00 34.32 H new ATOM 0 HE1 HIS A 73 18.325 11.896 1.062 1.00 73.32 H new ATOM 0 HE2 HIS A 73 17.568 13.494 -0.772 1.00 70.43 H new ATOM 1047 N PRO A 74 15.856 8.469 -3.317 1.00 74.12 N ATOM 1048 CA PRO A 74 16.410 7.227 -3.901 1.00 54.11 C ATOM 1049 C PRO A 74 16.572 6.099 -2.878 1.00 40.15 C ATOM 1050 O PRO A 74 16.606 4.926 -3.241 1.00 23.23 O ATOM 1051 CB PRO A 74 17.782 7.651 -4.431 1.00 40.40 C ATOM 1052 CG PRO A 74 17.698 9.125 -4.586 1.00 54.53 C ATOM 1053 CD PRO A 74 16.781 9.605 -3.503 1.00 32.43 C ATOM 0 HA PRO A 74 15.743 6.823 -4.663 1.00 54.11 H new ATOM 0 HB2 PRO A 74 18.576 7.372 -3.738 1.00 40.40 H new ATOM 0 HB3 PRO A 74 18.004 7.167 -5.382 1.00 40.40 H new ATOM 0 HG2 PRO A 74 18.683 9.583 -4.494 1.00 54.53 H new ATOM 0 HG3 PRO A 74 17.312 9.392 -5.570 1.00 54.53 H new ATOM 0 HD2 PRO A 74 17.325 9.835 -2.587 1.00 32.43 H new ATOM 0 HD3 PRO A 74 16.252 10.512 -3.796 1.00 32.43 H new ATOM 1061 N GLU A 75 16.651 6.463 -1.606 1.00 33.52 N ATOM 1062 CA GLU A 75 16.824 5.491 -0.542 1.00 41.31 C ATOM 1063 C GLU A 75 15.501 4.817 -0.195 1.00 71.22 C ATOM 1064 O GLU A 75 15.480 3.753 0.429 1.00 63.35 O ATOM 1065 CB GLU A 75 17.434 6.144 0.693 1.00 51.32 C ATOM 1066 CG GLU A 75 18.731 6.887 0.416 1.00 33.33 C ATOM 1067 CD GLU A 75 19.788 6.021 -0.243 1.00 13.24 C ATOM 1068 OE1 GLU A 75 19.838 5.964 -1.499 1.00 53.15 O ATOM 1069 OE2 GLU A 75 20.602 5.404 0.473 1.00 1.31 O ATOM 0 H GLU A 75 16.597 7.430 -1.287 1.00 33.52 H new ATOM 0 HA GLU A 75 17.511 4.723 -0.899 1.00 41.31 H new ATOM 0 HB2 GLU A 75 16.711 6.840 1.119 1.00 51.32 H new ATOM 0 HB3 GLU A 75 17.619 5.377 1.445 1.00 51.32 H new ATOM 0 HG2 GLU A 75 18.522 7.744 -0.225 1.00 33.33 H new ATOM 0 HG3 GLU A 75 19.125 7.279 1.354 1.00 33.33 H new ATOM 1076 N SER A 76 14.410 5.440 -0.594 1.00 44.24 N ATOM 1077 CA SER A 76 13.106 4.875 -0.404 1.00 65.23 C ATOM 1078 C SER A 76 12.811 4.008 -1.619 1.00 20.45 C ATOM 1079 O SER A 76 13.042 4.442 -2.757 1.00 30.11 O ATOM 1080 CB SER A 76 12.070 5.997 -0.278 1.00 40.31 C ATOM 1081 OG SER A 76 12.430 6.910 0.763 1.00 40.31 O ATOM 0 H SER A 76 14.411 6.349 -1.057 1.00 44.24 H new ATOM 0 HA SER A 76 13.064 4.278 0.507 1.00 65.23 H new ATOM 0 HB2 SER A 76 11.990 6.532 -1.225 1.00 40.31 H new ATOM 0 HB3 SER A 76 11.089 5.570 -0.069 1.00 40.31 H new ATOM 0 HG SER A 76 11.850 7.699 0.721 1.00 40.31 H new ATOM 1087 N ASP A 77 12.355 2.798 -1.396 1.00 34.51 N ATOM 1088 CA ASP A 77 12.110 1.876 -2.495 1.00 4.13 C ATOM 1089 C ASP A 77 10.908 2.299 -3.316 1.00 42.52 C ATOM 1090 O ASP A 77 10.994 2.415 -4.537 1.00 12.12 O ATOM 1091 CB ASP A 77 11.943 0.443 -2.008 1.00 15.10 C ATOM 1092 CG ASP A 77 11.825 -0.538 -3.153 1.00 63.31 C ATOM 1093 OD1 ASP A 77 12.866 -0.958 -3.706 1.00 52.10 O ATOM 1094 OD2 ASP A 77 10.711 -0.918 -3.516 1.00 11.40 O ATOM 0 H ASP A 77 12.145 2.424 -0.470 1.00 34.51 H new ATOM 0 HA ASP A 77 12.991 1.910 -3.135 1.00 4.13 H new ATOM 0 HB2 ASP A 77 12.795 0.171 -1.385 1.00 15.10 H new ATOM 0 HB3 ASP A 77 11.054 0.375 -1.380 1.00 15.10 H new ATOM 1099 N ILE A 78 9.801 2.564 -2.664 1.00 55.53 N ATOM 1100 CA ILE A 78 8.625 2.993 -3.379 1.00 20.32 C ATOM 1101 C ILE A 78 8.310 4.436 -3.035 1.00 15.52 C ATOM 1102 O ILE A 78 8.683 4.934 -1.964 1.00 13.31 O ATOM 1103 CB ILE A 78 7.364 2.093 -3.145 1.00 23.25 C ATOM 1104 CG1 ILE A 78 6.881 2.159 -1.688 1.00 35.23 C ATOM 1105 CG2 ILE A 78 7.660 0.648 -3.550 1.00 21.20 C ATOM 1106 CD1 ILE A 78 5.580 1.418 -1.429 1.00 54.42 C ATOM 0 H ILE A 78 9.691 2.491 -1.653 1.00 55.53 H new ATOM 0 HA ILE A 78 8.864 2.896 -4.438 1.00 20.32 H new ATOM 0 HB ILE A 78 6.560 2.478 -3.773 1.00 23.25 H new ATOM 0 HG12 ILE A 78 7.656 1.747 -1.041 1.00 35.23 H new ATOM 0 HG13 ILE A 78 6.753 3.204 -1.406 1.00 35.23 H new ATOM 0 HG21 ILE A 78 6.775 0.034 -3.382 1.00 21.20 H new ATOM 0 HG22 ILE A 78 7.930 0.614 -4.605 1.00 21.20 H new ATOM 0 HG23 ILE A 78 8.486 0.264 -2.952 1.00 21.20 H new ATOM 0 HD11 ILE A 78 5.310 1.514 -0.377 1.00 54.42 H new ATOM 0 HD12 ILE A 78 4.790 1.844 -2.047 1.00 54.42 H new ATOM 0 HD13 ILE A 78 5.706 0.364 -1.676 1.00 54.42 H new ATOM 1118 N PHE A 79 7.649 5.105 -3.918 1.00 12.21 N ATOM 1119 CA PHE A 79 7.317 6.480 -3.704 1.00 70.45 C ATOM 1120 C PHE A 79 5.821 6.658 -3.638 1.00 5.24 C ATOM 1121 O PHE A 79 5.082 6.010 -4.382 1.00 5.35 O ATOM 1122 CB PHE A 79 7.949 7.407 -4.783 1.00 11.41 C ATOM 1123 CG PHE A 79 7.510 7.151 -6.212 1.00 21.23 C ATOM 1124 CD1 PHE A 79 6.407 7.809 -6.744 1.00 53.23 C ATOM 1125 CD2 PHE A 79 8.204 6.266 -7.020 1.00 32.43 C ATOM 1126 CE1 PHE A 79 6.008 7.585 -8.044 1.00 53.30 C ATOM 1127 CE2 PHE A 79 7.810 6.042 -8.323 1.00 72.45 C ATOM 1128 CZ PHE A 79 6.711 6.701 -8.835 1.00 44.10 C ATOM 0 H PHE A 79 7.323 4.721 -4.805 1.00 12.21 H new ATOM 0 HA PHE A 79 7.742 6.777 -2.745 1.00 70.45 H new ATOM 0 HB2 PHE A 79 7.713 8.441 -4.530 1.00 11.41 H new ATOM 0 HB3 PHE A 79 9.033 7.306 -4.732 1.00 11.41 H new ATOM 0 HD1 PHE A 79 5.855 8.505 -6.130 1.00 53.23 H new ATOM 0 HD2 PHE A 79 9.064 5.745 -6.625 1.00 32.43 H new ATOM 0 HE1 PHE A 79 5.147 8.101 -8.442 1.00 53.30 H new ATOM 0 HE2 PHE A 79 8.362 5.351 -8.943 1.00 72.45 H new ATOM 0 HZ PHE A 79 6.402 6.524 -9.855 1.00 44.10 H new ATOM 1138 N LEU A 80 5.361 7.437 -2.686 1.00 23.21 N ATOM 1139 CA LEU A 80 3.981 7.802 -2.663 1.00 15.13 C ATOM 1140 C LEU A 80 3.837 8.995 -3.561 1.00 52.41 C ATOM 1141 O LEU A 80 4.723 9.876 -3.563 1.00 34.13 O ATOM 1142 CB LEU A 80 3.375 8.067 -1.254 1.00 3.12 C ATOM 1143 CG LEU A 80 3.972 9.173 -0.385 1.00 22.11 C ATOM 1144 CD1 LEU A 80 2.955 9.609 0.652 1.00 63.33 C ATOM 1145 CD2 LEU A 80 5.221 8.684 0.328 1.00 12.13 C ATOM 0 H LEU A 80 5.924 7.822 -1.928 1.00 23.21 H new ATOM 0 HA LEU A 80 3.402 6.948 -3.013 1.00 15.13 H new ATOM 0 HB2 LEU A 80 2.316 8.290 -1.388 1.00 3.12 H new ATOM 0 HB3 LEU A 80 3.436 7.136 -0.690 1.00 3.12 H new ATOM 0 HG LEU A 80 4.236 10.011 -1.031 1.00 22.11 H new ATOM 0 HD11 LEU A 80 3.382 10.398 1.271 1.00 63.33 H new ATOM 0 HD12 LEU A 80 2.062 9.984 0.151 1.00 63.33 H new ATOM 0 HD13 LEU A 80 2.689 8.759 1.280 1.00 63.33 H new ATOM 0 HD21 LEU A 80 5.629 9.488 0.941 1.00 12.13 H new ATOM 0 HD22 LEU A 80 4.968 7.836 0.964 1.00 12.13 H new ATOM 0 HD23 LEU A 80 5.964 8.377 -0.408 1.00 12.13 H new ATOM 1157 N ASP A 81 2.790 9.064 -4.332 1.00 41.52 N ATOM 1158 CA ASP A 81 2.732 10.110 -5.313 1.00 45.24 C ATOM 1159 C ASP A 81 1.762 11.189 -4.946 1.00 52.33 C ATOM 1160 O ASP A 81 0.762 11.440 -5.626 1.00 41.14 O ATOM 1161 CB ASP A 81 2.543 9.607 -6.737 1.00 42.51 C ATOM 1162 CG ASP A 81 2.935 10.661 -7.746 1.00 23.21 C ATOM 1163 OD1 ASP A 81 4.101 11.098 -7.722 1.00 43.01 O ATOM 1164 OD2 ASP A 81 2.098 11.077 -8.567 1.00 34.50 O ATOM 0 H ASP A 81 1.990 8.432 -4.305 1.00 41.52 H new ATOM 0 HA ASP A 81 3.721 10.567 -5.304 1.00 45.24 H new ATOM 0 HB2 ASP A 81 3.144 8.711 -6.892 1.00 42.51 H new ATOM 0 HB3 ASP A 81 1.502 9.323 -6.890 1.00 42.51 H new ATOM 1169 N ASP A 82 2.012 11.748 -3.812 1.00 71.55 N ATOM 1170 CA ASP A 82 1.301 12.931 -3.364 1.00 34.30 C ATOM 1171 C ASP A 82 2.244 14.098 -3.547 1.00 12.15 C ATOM 1172 O ASP A 82 3.462 13.920 -3.475 1.00 61.32 O ATOM 1173 CB ASP A 82 0.887 12.835 -1.883 1.00 45.10 C ATOM 1174 CG ASP A 82 -0.007 13.998 -1.459 1.00 53.22 C ATOM 1175 OD1 ASP A 82 0.502 15.063 -1.040 1.00 65.41 O ATOM 1176 OD2 ASP A 82 -1.220 13.878 -1.569 1.00 72.25 O ATOM 0 H ASP A 82 2.715 11.408 -3.156 1.00 71.55 H new ATOM 0 HA ASP A 82 0.383 13.046 -3.941 1.00 34.30 H new ATOM 0 HB2 ASP A 82 0.362 11.895 -1.714 1.00 45.10 H new ATOM 0 HB3 ASP A 82 1.780 12.818 -1.258 1.00 45.10 H new ATOM 1181 N VAL A 83 1.713 15.271 -3.773 1.00 14.54 N ATOM 1182 CA VAL A 83 2.538 16.456 -3.993 1.00 72.33 C ATOM 1183 C VAL A 83 3.176 16.973 -2.691 1.00 34.33 C ATOM 1184 O VAL A 83 4.083 17.804 -2.720 1.00 50.32 O ATOM 1185 CB VAL A 83 1.750 17.594 -4.698 1.00 12.51 C ATOM 1186 CG1 VAL A 83 1.371 17.184 -6.112 1.00 50.43 C ATOM 1187 CG2 VAL A 83 0.502 17.967 -3.908 1.00 61.24 C ATOM 0 H VAL A 83 0.708 15.444 -3.812 1.00 14.54 H new ATOM 0 HA VAL A 83 3.343 16.141 -4.657 1.00 72.33 H new ATOM 0 HB VAL A 83 2.398 18.469 -4.747 1.00 12.51 H new ATOM 0 HG11 VAL A 83 0.820 17.994 -6.590 1.00 50.43 H new ATOM 0 HG12 VAL A 83 2.274 16.973 -6.684 1.00 50.43 H new ATOM 0 HG13 VAL A 83 0.747 16.291 -6.077 1.00 50.43 H new ATOM 0 HG21 VAL A 83 -0.030 18.766 -4.424 1.00 61.24 H new ATOM 0 HG22 VAL A 83 -0.147 17.096 -3.821 1.00 61.24 H new ATOM 0 HG23 VAL A 83 0.789 18.307 -2.913 1.00 61.24 H new ATOM 1197 N THR A 84 2.712 16.470 -1.572 1.00 64.34 N ATOM 1198 CA THR A 84 3.219 16.840 -0.269 1.00 60.15 C ATOM 1199 C THR A 84 3.904 15.594 0.316 1.00 72.33 C ATOM 1200 O THR A 84 3.653 15.187 1.449 1.00 3.23 O ATOM 1201 CB THR A 84 2.030 17.226 0.632 1.00 44.21 C ATOM 1202 OG1 THR A 84 0.992 17.787 -0.195 1.00 63.33 O ATOM 1203 CG2 THR A 84 2.456 18.261 1.668 1.00 25.34 C ATOM 0 H THR A 84 1.960 15.782 -1.539 1.00 64.34 H new ATOM 0 HA THR A 84 3.914 17.677 -0.335 1.00 60.15 H new ATOM 0 HB THR A 84 1.671 16.338 1.153 1.00 44.21 H new ATOM 0 HG1 THR A 84 0.487 17.064 -0.622 1.00 63.33 H new ATOM 0 HG21 THR A 84 1.603 18.521 2.295 1.00 25.34 H new ATOM 0 HG22 THR A 84 3.250 17.848 2.290 1.00 25.34 H new ATOM 0 HG23 THR A 84 2.820 19.155 1.161 1.00 25.34 H new ATOM 1211 N VAL A 85 4.782 15.021 -0.459 1.00 24.00 N ATOM 1212 CA VAL A 85 5.406 13.761 -0.122 1.00 35.31 C ATOM 1213 C VAL A 85 6.605 13.919 0.848 1.00 40.11 C ATOM 1214 O VAL A 85 7.447 14.826 0.703 1.00 12.24 O ATOM 1215 CB VAL A 85 5.798 12.999 -1.415 1.00 73.54 C ATOM 1216 CG1 VAL A 85 6.721 13.833 -2.298 1.00 15.14 C ATOM 1217 CG2 VAL A 85 6.415 11.664 -1.097 1.00 31.25 C ATOM 0 H VAL A 85 5.090 15.413 -1.349 1.00 24.00 H new ATOM 0 HA VAL A 85 4.672 13.166 0.422 1.00 35.31 H new ATOM 0 HB VAL A 85 4.881 12.818 -1.976 1.00 73.54 H new ATOM 0 HG11 VAL A 85 6.975 13.268 -3.195 1.00 15.14 H new ATOM 0 HG12 VAL A 85 6.216 14.756 -2.582 1.00 15.14 H new ATOM 0 HG13 VAL A 85 7.632 14.071 -1.749 1.00 15.14 H new ATOM 0 HG21 VAL A 85 6.679 11.155 -2.024 1.00 31.25 H new ATOM 0 HG22 VAL A 85 7.312 11.812 -0.496 1.00 31.25 H new ATOM 0 HG23 VAL A 85 5.701 11.057 -0.540 1.00 31.25 H new ATOM 1227 N SER A 86 6.651 13.057 1.841 1.00 44.30 N ATOM 1228 CA SER A 86 7.676 13.094 2.856 1.00 73.45 C ATOM 1229 C SER A 86 8.749 12.020 2.594 1.00 14.24 C ATOM 1230 O SER A 86 8.439 10.938 2.066 1.00 23.44 O ATOM 1231 CB SER A 86 7.020 12.823 4.213 1.00 74.44 C ATOM 1232 OG SER A 86 5.853 13.622 4.381 1.00 51.43 O ATOM 0 H SER A 86 5.972 12.306 1.965 1.00 44.30 H new ATOM 0 HA SER A 86 8.157 14.072 2.842 1.00 73.45 H new ATOM 0 HB2 SER A 86 6.758 11.768 4.291 1.00 74.44 H new ATOM 0 HB3 SER A 86 7.729 13.035 5.013 1.00 74.44 H new ATOM 0 HG SER A 86 5.059 13.047 4.374 1.00 51.43 H new ATOM 1238 N ARG A 87 10.007 12.342 2.900 1.00 34.32 N ATOM 1239 CA ARG A 87 11.081 11.349 2.890 1.00 55.43 C ATOM 1240 C ARG A 87 10.782 10.394 4.023 1.00 52.32 C ATOM 1241 O ARG A 87 10.683 10.832 5.172 1.00 60.44 O ATOM 1242 CB ARG A 87 12.453 11.998 3.132 1.00 4.12 C ATOM 1243 CG ARG A 87 12.842 13.057 2.126 1.00 21.32 C ATOM 1244 CD ARG A 87 14.196 13.665 2.456 1.00 33.32 C ATOM 1245 NE ARG A 87 14.518 14.771 1.552 1.00 60.53 N ATOM 1246 CZ ARG A 87 15.630 15.520 1.595 1.00 15.42 C ATOM 1247 NH1 ARG A 87 16.593 15.255 2.474 1.00 40.02 N ATOM 1248 NH2 ARG A 87 15.769 16.536 0.751 1.00 74.41 N ATOM 0 H ARG A 87 10.306 13.282 3.158 1.00 34.32 H new ATOM 0 HA ARG A 87 11.123 10.851 1.921 1.00 55.43 H new ATOM 0 HB2 ARG A 87 12.458 12.443 4.127 1.00 4.12 H new ATOM 0 HB3 ARG A 87 13.214 11.217 3.129 1.00 4.12 H new ATOM 0 HG2 ARG A 87 12.871 12.620 1.128 1.00 21.32 H new ATOM 0 HG3 ARG A 87 12.084 13.840 2.109 1.00 21.32 H new ATOM 0 HD2 ARG A 87 14.195 14.023 3.486 1.00 33.32 H new ATOM 0 HD3 ARG A 87 14.968 12.899 2.386 1.00 33.32 H new ATOM 0 HE ARG A 87 13.837 14.991 0.826 1.00 60.53 H new ATOM 0 HH11 ARG A 87 16.490 14.476 3.124 1.00 40.02 H new ATOM 0 HH12 ARG A 87 17.434 15.831 2.498 1.00 40.02 H new ATOM 0 HH21 ARG A 87 15.033 16.743 0.076 1.00 74.41 H new ATOM 0 HH22 ARG A 87 16.612 17.110 0.778 1.00 74.41 H new ATOM 1262 N ARG A 88 10.618 9.113 3.700 1.00 54.34 N ATOM 1263 CA ARG A 88 10.166 8.106 4.665 1.00 73.11 C ATOM 1264 C ARG A 88 8.816 8.495 5.243 1.00 72.33 C ATOM 1265 O ARG A 88 8.730 9.098 6.307 1.00 13.52 O ATOM 1266 CB ARG A 88 11.163 7.851 5.800 1.00 32.31 C ATOM 1267 CG ARG A 88 12.434 7.146 5.403 1.00 73.32 C ATOM 1268 CD ARG A 88 13.295 6.940 6.627 1.00 0.24 C ATOM 1269 NE ARG A 88 14.439 6.068 6.381 1.00 65.53 N ATOM 1270 CZ ARG A 88 15.091 5.410 7.351 1.00 72.12 C ATOM 1271 NH1 ARG A 88 14.761 5.611 8.630 1.00 43.10 N ATOM 1272 NH2 ARG A 88 16.077 4.582 7.051 1.00 73.03 N ATOM 0 H ARG A 88 10.793 8.742 2.766 1.00 54.34 H new ATOM 0 HA ARG A 88 10.081 7.173 4.108 1.00 73.11 H new ATOM 0 HB2 ARG A 88 11.425 8.808 6.251 1.00 32.31 H new ATOM 0 HB3 ARG A 88 10.666 7.261 6.570 1.00 32.31 H new ATOM 0 HG2 ARG A 88 12.202 6.186 4.942 1.00 73.32 H new ATOM 0 HG3 ARG A 88 12.973 7.734 4.660 1.00 73.32 H new ATOM 0 HD2 ARG A 88 13.652 7.907 6.980 1.00 0.24 H new ATOM 0 HD3 ARG A 88 12.686 6.515 7.425 1.00 0.24 H new ATOM 0 HE ARG A 88 14.760 5.953 5.420 1.00 65.53 H new ATOM 0 HH11 ARG A 88 14.014 6.264 8.867 1.00 43.10 H new ATOM 0 HH12 ARG A 88 15.256 5.111 9.369 1.00 43.10 H new ATOM 0 HH21 ARG A 88 16.346 4.441 6.077 1.00 73.03 H new ATOM 0 HH22 ARG A 88 16.569 4.085 7.793 1.00 73.03 H new ATOM 1286 N HIS A 89 7.788 8.213 4.519 1.00 72.34 N ATOM 1287 CA HIS A 89 6.465 8.561 4.952 1.00 42.44 C ATOM 1288 C HIS A 89 5.802 7.346 5.572 1.00 64.32 C ATOM 1289 O HIS A 89 5.067 7.453 6.532 1.00 13.25 O ATOM 1290 CB HIS A 89 5.647 9.103 3.768 1.00 51.42 C ATOM 1291 CG HIS A 89 4.278 9.609 4.127 1.00 0.02 C ATOM 1292 ND1 HIS A 89 4.011 10.954 4.226 1.00 23.21 N ATOM 1293 CD2 HIS A 89 3.147 8.912 4.386 1.00 15.01 C ATOM 1294 CE1 HIS A 89 2.729 11.030 4.545 1.00 24.13 C ATOM 1295 NE2 HIS A 89 2.172 9.821 4.656 1.00 62.31 N ATOM 0 H HIS A 89 7.832 7.739 3.617 1.00 72.34 H new ATOM 0 HA HIS A 89 6.519 9.347 5.706 1.00 42.44 H new ATOM 0 HB2 HIS A 89 6.206 9.912 3.298 1.00 51.42 H new ATOM 0 HB3 HIS A 89 5.544 8.313 3.024 1.00 51.42 H new ATOM 0 HD2 HIS A 89 3.039 7.837 4.379 1.00 15.01 H new ATOM 0 HE1 HIS A 89 2.197 11.958 4.697 1.00 24.13 H new ATOM 0 HE2 HIS A 89 1.202 9.618 4.897 1.00 62.31 H new ATOM 1303 N ALA A 90 6.079 6.195 5.039 1.00 65.12 N ATOM 1304 CA ALA A 90 5.487 4.998 5.555 1.00 13.42 C ATOM 1305 C ALA A 90 6.417 3.844 5.365 1.00 14.42 C ATOM 1306 O ALA A 90 7.063 3.716 4.316 1.00 64.31 O ATOM 1307 CB ALA A 90 4.148 4.715 4.874 1.00 73.04 C ATOM 0 H ALA A 90 6.710 6.059 4.249 1.00 65.12 H new ATOM 0 HA ALA A 90 5.304 5.137 6.621 1.00 13.42 H new ATOM 0 HB1 ALA A 90 3.718 3.801 5.283 1.00 73.04 H new ATOM 0 HB2 ALA A 90 3.467 5.547 5.051 1.00 73.04 H new ATOM 0 HB3 ALA A 90 4.303 4.595 3.802 1.00 73.04 H new ATOM 1313 N GLU A 91 6.537 3.045 6.371 1.00 42.54 N ATOM 1314 CA GLU A 91 7.296 1.836 6.272 1.00 1.04 C ATOM 1315 C GLU A 91 6.345 0.668 6.385 1.00 34.22 C ATOM 1316 O GLU A 91 5.547 0.587 7.334 1.00 64.31 O ATOM 1317 CB GLU A 91 8.379 1.761 7.361 1.00 33.54 C ATOM 1318 CG GLU A 91 9.451 2.839 7.247 1.00 55.20 C ATOM 1319 CD GLU A 91 10.513 2.728 8.319 1.00 1.52 C ATOM 1320 OE1 GLU A 91 11.448 1.912 8.174 1.00 71.33 O ATOM 1321 OE2 GLU A 91 10.451 3.466 9.323 1.00 75.15 O ATOM 0 H GLU A 91 6.114 3.207 7.285 1.00 42.54 H new ATOM 0 HA GLU A 91 7.810 1.810 5.311 1.00 1.04 H new ATOM 0 HB2 GLU A 91 7.903 1.839 8.338 1.00 33.54 H new ATOM 0 HB3 GLU A 91 8.857 0.782 7.317 1.00 33.54 H new ATOM 0 HG2 GLU A 91 9.923 2.773 6.267 1.00 55.20 H new ATOM 0 HG3 GLU A 91 8.981 3.820 7.309 1.00 55.20 H new ATOM 1328 N PHE A 92 6.410 -0.216 5.432 1.00 31.30 N ATOM 1329 CA PHE A 92 5.576 -1.390 5.423 1.00 12.23 C ATOM 1330 C PHE A 92 6.422 -2.561 5.797 1.00 32.35 C ATOM 1331 O PHE A 92 7.437 -2.824 5.155 1.00 32.40 O ATOM 1332 CB PHE A 92 4.974 -1.642 4.036 1.00 33.01 C ATOM 1333 CG PHE A 92 4.104 -0.539 3.500 1.00 3.11 C ATOM 1334 CD1 PHE A 92 4.654 0.528 2.804 1.00 72.13 C ATOM 1335 CD2 PHE A 92 2.735 -0.582 3.674 1.00 64.21 C ATOM 1336 CE1 PHE A 92 3.851 1.532 2.306 1.00 31.13 C ATOM 1337 CE2 PHE A 92 1.928 0.417 3.176 1.00 25.25 C ATOM 1338 CZ PHE A 92 2.487 1.476 2.488 1.00 30.41 C ATOM 0 H PHE A 92 7.043 -0.146 4.636 1.00 31.30 H new ATOM 0 HA PHE A 92 4.757 -1.244 6.127 1.00 12.23 H new ATOM 0 HB2 PHE A 92 5.788 -1.815 3.331 1.00 33.01 H new ATOM 0 HB3 PHE A 92 4.386 -2.559 4.075 1.00 33.01 H new ATOM 0 HD1 PHE A 92 5.722 0.572 2.651 1.00 72.13 H new ATOM 0 HD2 PHE A 92 2.291 -1.410 4.207 1.00 64.21 H new ATOM 0 HE1 PHE A 92 4.291 2.362 1.773 1.00 31.13 H new ATOM 0 HE2 PHE A 92 0.859 0.372 3.323 1.00 25.25 H new ATOM 0 HZ PHE A 92 1.856 2.259 2.094 1.00 30.41 H new ATOM 1348 N ARG A 93 6.048 -3.237 6.819 1.00 20.24 N ATOM 1349 CA ARG A 93 6.776 -4.377 7.257 1.00 25.14 C ATOM 1350 C ARG A 93 5.916 -5.601 7.044 1.00 15.43 C ATOM 1351 O ARG A 93 4.817 -5.711 7.601 1.00 22.14 O ATOM 1352 CB ARG A 93 7.166 -4.226 8.727 1.00 10.31 C ATOM 1353 CG ARG A 93 7.985 -5.376 9.290 1.00 42.30 C ATOM 1354 CD ARG A 93 8.242 -5.199 10.775 1.00 51.44 C ATOM 1355 NE ARG A 93 9.088 -6.268 11.320 1.00 33.20 N ATOM 1356 CZ ARG A 93 8.977 -6.794 12.558 1.00 61.51 C ATOM 1357 NH1 ARG A 93 7.991 -6.415 13.378 1.00 14.45 N ATOM 1358 NH2 ARG A 93 9.843 -7.718 12.965 1.00 11.51 N ATOM 0 H ARG A 93 5.225 -3.018 7.381 1.00 20.24 H new ATOM 0 HA ARG A 93 7.698 -4.478 6.685 1.00 25.14 H new ATOM 0 HB2 ARG A 93 7.733 -3.303 8.845 1.00 10.31 H new ATOM 0 HB3 ARG A 93 6.258 -4.120 9.320 1.00 10.31 H new ATOM 0 HG2 ARG A 93 7.460 -6.316 9.120 1.00 42.30 H new ATOM 0 HG3 ARG A 93 8.935 -5.441 8.760 1.00 42.30 H new ATOM 0 HD2 ARG A 93 8.721 -4.235 10.947 1.00 51.44 H new ATOM 0 HD3 ARG A 93 7.291 -5.183 11.308 1.00 51.44 H new ATOM 0 HE ARG A 93 9.818 -6.643 10.715 1.00 33.20 H new ATOM 0 HH11 ARG A 93 7.311 -5.720 13.070 1.00 14.45 H new ATOM 0 HH12 ARG A 93 7.919 -6.821 14.311 1.00 14.45 H new ATOM 0 HH21 ARG A 93 10.589 -8.028 12.342 1.00 11.51 H new ATOM 0 HH22 ARG A 93 9.761 -8.117 13.900 1.00 11.51 H new ATOM 1372 N ILE A 94 6.389 -6.494 6.247 1.00 15.54 N ATOM 1373 CA ILE A 94 5.672 -7.687 5.981 1.00 3.04 C ATOM 1374 C ILE A 94 6.493 -8.838 6.513 1.00 53.43 C ATOM 1375 O ILE A 94 7.646 -9.065 6.128 1.00 22.53 O ATOM 1376 CB ILE A 94 5.283 -7.821 4.438 1.00 61.21 C ATOM 1377 CG1 ILE A 94 4.392 -9.069 4.101 1.00 74.33 C ATOM 1378 CG2 ILE A 94 6.495 -7.755 3.525 1.00 21.51 C ATOM 1379 CD1 ILE A 94 5.080 -10.429 4.119 1.00 72.23 C ATOM 0 H ILE A 94 7.283 -6.416 5.762 1.00 15.54 H new ATOM 0 HA ILE A 94 4.709 -7.682 6.491 1.00 3.04 H new ATOM 0 HB ILE A 94 4.662 -6.947 4.241 1.00 61.21 H new ATOM 0 HG12 ILE A 94 3.565 -9.097 4.810 1.00 74.33 H new ATOM 0 HG13 ILE A 94 3.959 -8.920 3.112 1.00 74.33 H new ATOM 0 HG21 ILE A 94 6.175 -7.851 2.488 1.00 21.51 H new ATOM 0 HG22 ILE A 94 7.002 -6.800 3.661 1.00 21.51 H new ATOM 0 HG23 ILE A 94 7.180 -8.567 3.770 1.00 21.51 H new ATOM 0 HD11 ILE A 94 4.357 -11.206 3.870 1.00 72.23 H new ATOM 0 HD12 ILE A 94 5.888 -10.438 3.388 1.00 72.23 H new ATOM 0 HD13 ILE A 94 5.488 -10.617 5.112 1.00 72.23 H new ATOM 1391 N ASN A 95 5.926 -9.480 7.458 1.00 52.13 N ATOM 1392 CA ASN A 95 6.501 -10.598 8.122 1.00 74.02 C ATOM 1393 C ASN A 95 5.847 -11.823 7.557 1.00 41.21 C ATOM 1394 O ASN A 95 4.674 -11.769 7.184 1.00 42.52 O ATOM 1395 CB ASN A 95 6.256 -10.463 9.643 1.00 75.12 C ATOM 1396 CG ASN A 95 6.703 -11.656 10.483 1.00 13.34 C ATOM 1397 OD1 ASN A 95 7.634 -12.379 10.140 1.00 52.10 O ATOM 1398 ND2 ASN A 95 6.050 -11.854 11.602 1.00 33.14 N ATOM 0 H ASN A 95 5.002 -9.234 7.813 1.00 52.13 H new ATOM 0 HA ASN A 95 7.579 -10.659 7.971 1.00 74.02 H new ATOM 0 HB2 ASN A 95 6.774 -9.573 10.000 1.00 75.12 H new ATOM 0 HB3 ASN A 95 5.191 -10.300 9.810 1.00 75.12 H new ATOM 0 HD21 ASN A 95 6.311 -12.626 12.215 1.00 33.14 H new ATOM 0 HD22 ASN A 95 5.281 -11.236 11.860 1.00 33.14 H new ATOM 1405 N GLU A 96 6.604 -12.891 7.454 1.00 35.04 N ATOM 1406 CA GLU A 96 6.171 -14.185 6.896 1.00 20.25 C ATOM 1407 C GLU A 96 4.762 -14.622 7.362 1.00 42.42 C ATOM 1408 O GLU A 96 4.052 -15.306 6.633 1.00 73.12 O ATOM 1409 CB GLU A 96 7.213 -15.232 7.256 1.00 11.33 C ATOM 1410 CG GLU A 96 7.498 -15.290 8.745 1.00 30.34 C ATOM 1411 CD GLU A 96 8.689 -16.108 9.080 1.00 30.12 C ATOM 1412 OE1 GLU A 96 9.817 -15.623 8.896 1.00 61.44 O ATOM 1413 OE2 GLU A 96 8.532 -17.225 9.588 1.00 53.01 O ATOM 0 H GLU A 96 7.576 -12.900 7.763 1.00 35.04 H new ATOM 0 HA GLU A 96 6.090 -14.075 5.815 1.00 20.25 H new ATOM 0 HB2 GLU A 96 6.871 -16.210 6.918 1.00 11.33 H new ATOM 0 HB3 GLU A 96 8.138 -15.016 6.722 1.00 11.33 H new ATOM 0 HG2 GLU A 96 7.644 -14.277 9.120 1.00 30.34 H new ATOM 0 HG3 GLU A 96 6.628 -15.699 9.259 1.00 30.34 H new ATOM 1420 N GLY A 97 4.369 -14.212 8.553 1.00 75.24 N ATOM 1421 CA GLY A 97 3.058 -14.527 9.030 1.00 4.11 C ATOM 1422 C GLY A 97 2.399 -13.364 9.744 1.00 53.14 C ATOM 1423 O GLY A 97 1.590 -13.580 10.637 1.00 35.23 O ATOM 0 H GLY A 97 4.942 -13.665 9.195 1.00 75.24 H new ATOM 0 HA2 GLY A 97 2.434 -14.833 8.190 1.00 4.11 H new ATOM 0 HA3 GLY A 97 3.118 -15.378 9.709 1.00 4.11 H new ATOM 1427 N GLU A 98 2.734 -12.129 9.366 1.00 51.02 N ATOM 1428 CA GLU A 98 2.139 -10.955 10.014 1.00 14.11 C ATOM 1429 C GLU A 98 2.384 -9.686 9.185 1.00 60.20 C ATOM 1430 O GLU A 98 3.355 -9.599 8.446 1.00 31.15 O ATOM 1431 CB GLU A 98 2.658 -10.788 11.462 1.00 61.34 C ATOM 1432 CG GLU A 98 1.928 -9.717 12.259 1.00 44.34 C ATOM 1433 CD GLU A 98 0.438 -9.951 12.264 1.00 11.32 C ATOM 1434 OE1 GLU A 98 -0.240 -9.541 11.310 1.00 64.24 O ATOM 1435 OE2 GLU A 98 -0.079 -10.578 13.209 1.00 45.43 O ATOM 0 H GLU A 98 3.403 -11.915 8.626 1.00 51.02 H new ATOM 0 HA GLU A 98 1.062 -11.115 10.069 1.00 14.11 H new ATOM 0 HB2 GLU A 98 2.565 -11.741 11.983 1.00 61.34 H new ATOM 0 HB3 GLU A 98 3.720 -10.544 11.431 1.00 61.34 H new ATOM 0 HG2 GLU A 98 2.299 -9.708 13.284 1.00 44.34 H new ATOM 0 HG3 GLU A 98 2.142 -8.736 11.834 1.00 44.34 H new ATOM 1442 N PHE A 99 1.506 -8.717 9.312 1.00 11.01 N ATOM 1443 CA PHE A 99 1.582 -7.498 8.531 1.00 72.24 C ATOM 1444 C PHE A 99 1.598 -6.280 9.466 1.00 11.14 C ATOM 1445 O PHE A 99 0.734 -6.136 10.331 1.00 11.35 O ATOM 1446 CB PHE A 99 0.389 -7.436 7.566 1.00 54.15 C ATOM 1447 CG PHE A 99 0.205 -8.699 6.764 1.00 0.34 C ATOM 1448 CD1 PHE A 99 1.088 -9.027 5.754 1.00 72.24 C ATOM 1449 CD2 PHE A 99 -0.841 -9.565 7.039 1.00 60.32 C ATOM 1450 CE1 PHE A 99 0.937 -10.197 5.034 1.00 2.44 C ATOM 1451 CE2 PHE A 99 -1.001 -10.732 6.321 1.00 44.34 C ATOM 1452 CZ PHE A 99 -0.110 -11.050 5.318 1.00 62.12 C ATOM 0 H PHE A 99 0.718 -8.749 9.959 1.00 11.01 H new ATOM 0 HA PHE A 99 2.503 -7.490 7.947 1.00 72.24 H new ATOM 0 HB2 PHE A 99 -0.520 -7.239 8.135 1.00 54.15 H new ATOM 0 HB3 PHE A 99 0.526 -6.597 6.884 1.00 54.15 H new ATOM 0 HD1 PHE A 99 1.907 -8.361 5.524 1.00 72.24 H new ATOM 0 HD2 PHE A 99 -1.540 -9.323 7.826 1.00 60.32 H new ATOM 0 HE1 PHE A 99 1.638 -10.443 4.250 1.00 2.44 H new ATOM 0 HE2 PHE A 99 -1.823 -11.396 6.544 1.00 44.34 H new ATOM 0 HZ PHE A 99 -0.231 -11.964 4.756 1.00 62.12 H new ATOM 1462 N GLU A 100 2.578 -5.423 9.299 1.00 42.13 N ATOM 1463 CA GLU A 100 2.767 -4.270 10.167 1.00 21.24 C ATOM 1464 C GLU A 100 2.995 -2.998 9.324 1.00 3.20 C ATOM 1465 O GLU A 100 3.752 -3.022 8.351 1.00 73.13 O ATOM 1466 CB GLU A 100 3.987 -4.547 11.054 1.00 43.12 C ATOM 1467 CG GLU A 100 4.324 -3.475 12.074 1.00 64.14 C ATOM 1468 CD GLU A 100 5.652 -3.738 12.744 1.00 71.40 C ATOM 1469 OE1 GLU A 100 5.855 -4.838 13.281 1.00 4.32 O ATOM 1470 OE2 GLU A 100 6.538 -2.858 12.704 1.00 30.32 O ATOM 0 H GLU A 100 3.273 -5.501 8.556 1.00 42.13 H new ATOM 0 HA GLU A 100 1.881 -4.108 10.781 1.00 21.24 H new ATOM 0 HB2 GLU A 100 3.821 -5.485 11.583 1.00 43.12 H new ATOM 0 HB3 GLU A 100 4.854 -4.693 10.410 1.00 43.12 H new ATOM 0 HG2 GLU A 100 4.350 -2.502 11.584 1.00 64.14 H new ATOM 0 HG3 GLU A 100 3.538 -3.431 12.828 1.00 64.14 H new ATOM 1477 N VAL A 101 2.343 -1.905 9.675 1.00 3.42 N ATOM 1478 CA VAL A 101 2.547 -0.649 8.957 1.00 24.32 C ATOM 1479 C VAL A 101 2.860 0.490 9.928 1.00 43.43 C ATOM 1480 O VAL A 101 2.166 0.669 10.941 1.00 11.31 O ATOM 1481 CB VAL A 101 1.345 -0.275 8.025 1.00 54.42 C ATOM 1482 CG1 VAL A 101 0.053 -0.070 8.805 1.00 10.21 C ATOM 1483 CG2 VAL A 101 1.669 0.951 7.174 1.00 70.35 C ATOM 0 H VAL A 101 1.674 -1.855 10.443 1.00 3.42 H new ATOM 0 HA VAL A 101 3.408 -0.801 8.306 1.00 24.32 H new ATOM 0 HB VAL A 101 1.186 -1.122 7.358 1.00 54.42 H new ATOM 0 HG11 VAL A 101 -0.751 0.188 8.116 1.00 10.21 H new ATOM 0 HG12 VAL A 101 -0.202 -0.988 9.334 1.00 10.21 H new ATOM 0 HG13 VAL A 101 0.187 0.738 9.525 1.00 10.21 H new ATOM 0 HG21 VAL A 101 0.817 1.187 6.537 1.00 70.35 H new ATOM 0 HG22 VAL A 101 1.882 1.799 7.824 1.00 70.35 H new ATOM 0 HG23 VAL A 101 2.540 0.743 6.552 1.00 70.35 H new ATOM 1493 N VAL A 102 3.930 1.208 9.651 1.00 72.24 N ATOM 1494 CA VAL A 102 4.348 2.323 10.477 1.00 70.31 C ATOM 1495 C VAL A 102 4.357 3.625 9.670 1.00 55.10 C ATOM 1496 O VAL A 102 4.985 3.703 8.604 1.00 11.23 O ATOM 1497 CB VAL A 102 5.756 2.075 11.099 1.00 55.33 C ATOM 1498 CG1 VAL A 102 6.211 3.263 11.940 1.00 4.34 C ATOM 1499 CG2 VAL A 102 5.751 0.811 11.949 1.00 2.43 C ATOM 0 H VAL A 102 4.534 1.035 8.847 1.00 72.24 H new ATOM 0 HA VAL A 102 3.626 2.414 11.289 1.00 70.31 H new ATOM 0 HB VAL A 102 6.460 1.950 10.276 1.00 55.33 H new ATOM 0 HG11 VAL A 102 7.196 3.057 12.359 1.00 4.34 H new ATOM 0 HG12 VAL A 102 6.262 4.154 11.314 1.00 4.34 H new ATOM 0 HG13 VAL A 102 5.500 3.429 12.750 1.00 4.34 H new ATOM 0 HG21 VAL A 102 6.742 0.655 12.375 1.00 2.43 H new ATOM 0 HG22 VAL A 102 5.023 0.916 12.754 1.00 2.43 H new ATOM 0 HG23 VAL A 102 5.484 -0.044 11.328 1.00 2.43 H new ATOM 1509 N ASP A 103 3.642 4.608 10.157 1.00 22.31 N ATOM 1510 CA ASP A 103 3.627 5.936 9.584 1.00 22.45 C ATOM 1511 C ASP A 103 4.794 6.737 10.094 1.00 55.44 C ATOM 1512 O ASP A 103 4.997 6.867 11.307 1.00 51.23 O ATOM 1513 CB ASP A 103 2.331 6.675 9.925 1.00 22.32 C ATOM 1514 CG ASP A 103 2.445 8.173 9.685 1.00 60.33 C ATOM 1515 OD1 ASP A 103 2.674 8.587 8.541 1.00 25.13 O ATOM 1516 OD2 ASP A 103 2.310 8.953 10.652 1.00 34.34 O ATOM 0 H ASP A 103 3.043 4.509 10.977 1.00 22.31 H new ATOM 0 HA ASP A 103 3.696 5.826 8.502 1.00 22.45 H new ATOM 0 HB2 ASP A 103 1.516 6.273 9.323 1.00 22.32 H new ATOM 0 HB3 ASP A 103 2.075 6.494 10.969 1.00 22.32 H new ATOM 1521 N VAL A 104 5.557 7.250 9.182 1.00 12.33 N ATOM 1522 CA VAL A 104 6.694 8.070 9.498 1.00 63.02 C ATOM 1523 C VAL A 104 6.459 9.475 8.875 1.00 62.13 C ATOM 1524 O VAL A 104 7.326 10.368 8.911 1.00 63.10 O ATOM 1525 CB VAL A 104 8.009 7.431 8.933 1.00 10.51 C ATOM 1526 CG1 VAL A 104 9.248 8.104 9.500 1.00 52.32 C ATOM 1527 CG2 VAL A 104 8.053 5.932 9.199 1.00 51.41 C ATOM 0 H VAL A 104 5.410 7.112 8.182 1.00 12.33 H new ATOM 0 HA VAL A 104 6.808 8.152 10.579 1.00 63.02 H new ATOM 0 HB VAL A 104 8.003 7.590 7.855 1.00 10.51 H new ATOM 0 HG11 VAL A 104 10.140 7.634 9.085 1.00 52.32 H new ATOM 0 HG12 VAL A 104 9.240 9.162 9.237 1.00 52.32 H new ATOM 0 HG13 VAL A 104 9.254 8.000 10.585 1.00 52.32 H new ATOM 0 HG21 VAL A 104 8.977 5.518 8.795 1.00 51.41 H new ATOM 0 HG22 VAL A 104 8.013 5.752 10.273 1.00 51.41 H new ATOM 0 HG23 VAL A 104 7.200 5.452 8.719 1.00 51.41 H new ATOM 1537 N GLY A 105 5.259 9.677 8.351 1.00 11.24 N ATOM 1538 CA GLY A 105 4.898 10.919 7.716 1.00 21.11 C ATOM 1539 C GLY A 105 3.781 11.590 8.468 1.00 23.32 C ATOM 1540 O GLY A 105 2.821 12.121 7.875 1.00 14.01 O ATOM 0 H GLY A 105 4.514 8.980 8.358 1.00 11.24 H new ATOM 0 HA2 GLY A 105 5.765 11.579 7.675 1.00 21.11 H new ATOM 0 HA3 GLY A 105 4.591 10.732 6.687 1.00 21.11 H new ATOM 1544 N SER A 106 3.931 11.620 9.781 1.00 51.14 N ATOM 1545 CA SER A 106 2.950 12.172 10.697 1.00 74.13 C ATOM 1546 C SER A 106 2.754 13.682 10.475 1.00 34.34 C ATOM 1547 O SER A 106 1.798 14.275 10.972 1.00 23.33 O ATOM 1548 CB SER A 106 3.410 11.873 12.110 1.00 15.42 C ATOM 1549 OG SER A 106 3.749 10.492 12.214 1.00 42.13 O ATOM 0 H SER A 106 4.759 11.252 10.250 1.00 51.14 H new ATOM 0 HA SER A 106 1.978 11.712 10.518 1.00 74.13 H new ATOM 0 HB2 SER A 106 4.272 12.491 12.362 1.00 15.42 H new ATOM 0 HB3 SER A 106 2.622 12.120 12.821 1.00 15.42 H new ATOM 0 HG SER A 106 3.138 9.963 11.660 1.00 42.13 H new ATOM 1555 N LEU A 107 3.664 14.273 9.703 1.00 4.04 N ATOM 1556 CA LEU A 107 3.591 15.663 9.287 1.00 71.54 C ATOM 1557 C LEU A 107 2.330 15.892 8.463 1.00 74.13 C ATOM 1558 O LEU A 107 1.708 16.953 8.529 1.00 53.55 O ATOM 1559 CB LEU A 107 4.802 16.002 8.426 1.00 62.30 C ATOM 1560 CG LEU A 107 6.175 15.847 9.080 1.00 63.15 C ATOM 1561 CD1 LEU A 107 7.271 16.137 8.071 1.00 41.22 C ATOM 1562 CD2 LEU A 107 6.305 16.771 10.282 1.00 2.03 C ATOM 0 H LEU A 107 4.486 13.786 9.345 1.00 4.04 H new ATOM 0 HA LEU A 107 3.572 16.296 10.174 1.00 71.54 H new ATOM 0 HB2 LEU A 107 4.775 15.371 7.538 1.00 62.30 H new ATOM 0 HB3 LEU A 107 4.701 17.033 8.088 1.00 62.30 H new ATOM 0 HG LEU A 107 6.279 14.819 9.426 1.00 63.15 H new ATOM 0 HD11 LEU A 107 8.244 16.023 8.548 1.00 41.22 H new ATOM 0 HD12 LEU A 107 7.192 15.439 7.237 1.00 41.22 H new ATOM 0 HD13 LEU A 107 7.165 17.157 7.702 1.00 41.22 H new ATOM 0 HD21 LEU A 107 7.289 16.645 10.733 1.00 2.03 H new ATOM 0 HD22 LEU A 107 6.183 17.805 9.961 1.00 2.03 H new ATOM 0 HD23 LEU A 107 5.536 16.525 11.015 1.00 2.03 H new ATOM 1574 N ASN A 108 1.973 14.897 7.681 1.00 63.41 N ATOM 1575 CA ASN A 108 0.772 14.953 6.863 1.00 62.33 C ATOM 1576 C ASN A 108 -0.348 14.322 7.628 1.00 45.32 C ATOM 1577 O ASN A 108 -1.491 14.771 7.571 1.00 15.24 O ATOM 1578 CB ASN A 108 0.940 14.190 5.541 1.00 64.34 C ATOM 1579 CG ASN A 108 1.980 14.765 4.586 1.00 21.42 C ATOM 1580 OD1 ASN A 108 2.969 15.384 4.989 1.00 34.43 O ATOM 1581 ND2 ASN A 108 1.773 14.549 3.313 1.00 11.10 N ATOM 0 H ASN A 108 2.501 14.029 7.591 1.00 63.41 H new ATOM 0 HA ASN A 108 0.568 15.998 6.630 1.00 62.33 H new ATOM 0 HB2 ASN A 108 1.209 13.158 5.767 1.00 64.34 H new ATOM 0 HB3 ASN A 108 -0.023 14.163 5.031 1.00 64.34 H new ATOM 0 HD21 ASN A 108 2.439 14.896 2.622 1.00 11.10 H new ATOM 0 HD22 ASN A 108 0.946 14.034 3.011 1.00 11.10 H new ATOM 1588 N GLY A 109 -0.009 13.272 8.342 1.00 74.02 N ATOM 1589 CA GLY A 109 -0.983 12.571 9.123 1.00 14.15 C ATOM 1590 C GLY A 109 -1.572 11.413 8.361 1.00 63.23 C ATOM 1591 O GLY A 109 -2.568 11.571 7.645 1.00 74.00 O ATOM 0 H GLY A 109 0.936 12.891 8.393 1.00 74.02 H new ATOM 0 HA2 GLY A 109 -0.521 12.207 10.041 1.00 14.15 H new ATOM 0 HA3 GLY A 109 -1.778 13.257 9.416 1.00 14.15 H new ATOM 1595 N THR A 110 -0.943 10.279 8.465 1.00 40.31 N ATOM 1596 CA THR A 110 -1.428 9.092 7.831 1.00 61.43 C ATOM 1597 C THR A 110 -2.510 8.456 8.705 1.00 41.15 C ATOM 1598 O THR A 110 -2.285 8.143 9.882 1.00 54.11 O ATOM 1599 CB THR A 110 -0.267 8.111 7.592 1.00 1.35 C ATOM 1600 OG1 THR A 110 0.755 8.786 6.834 1.00 70.41 O ATOM 1601 CG2 THR A 110 -0.727 6.880 6.830 1.00 30.31 C ATOM 0 H THR A 110 -0.079 10.153 8.992 1.00 40.31 H new ATOM 0 HA THR A 110 -1.863 9.344 6.864 1.00 61.43 H new ATOM 0 HB THR A 110 0.118 7.784 8.558 1.00 1.35 H new ATOM 0 HG1 THR A 110 1.636 8.563 7.201 1.00 70.41 H new ATOM 0 HG21 THR A 110 0.118 6.209 6.679 1.00 30.31 H new ATOM 0 HG22 THR A 110 -1.500 6.366 7.401 1.00 30.31 H new ATOM 0 HG23 THR A 110 -1.129 7.180 5.863 1.00 30.31 H new ATOM 1609 N TYR A 111 -3.689 8.321 8.156 1.00 52.34 N ATOM 1610 CA TYR A 111 -4.777 7.740 8.882 1.00 11.23 C ATOM 1611 C TYR A 111 -5.008 6.354 8.336 1.00 42.32 C ATOM 1612 O TYR A 111 -5.025 6.163 7.134 1.00 32.41 O ATOM 1613 CB TYR A 111 -6.060 8.569 8.694 1.00 12.43 C ATOM 1614 CG TYR A 111 -5.897 10.056 8.912 1.00 65.22 C ATOM 1615 CD1 TYR A 111 -5.698 10.573 10.175 1.00 5.03 C ATOM 1616 CD2 TYR A 111 -5.951 10.940 7.842 1.00 61.14 C ATOM 1617 CE1 TYR A 111 -5.551 11.927 10.378 1.00 21.22 C ATOM 1618 CE2 TYR A 111 -5.807 12.296 8.035 1.00 33.35 C ATOM 1619 CZ TYR A 111 -5.607 12.784 9.306 1.00 43.41 C ATOM 1620 OH TYR A 111 -5.458 14.133 9.507 1.00 73.31 O ATOM 0 H TYR A 111 -3.916 8.608 7.204 1.00 52.34 H new ATOM 0 HA TYR A 111 -4.534 7.713 9.944 1.00 11.23 H new ATOM 0 HB2 TYR A 111 -6.437 8.404 7.685 1.00 12.43 H new ATOM 0 HB3 TYR A 111 -6.819 8.197 9.382 1.00 12.43 H new ATOM 0 HD1 TYR A 111 -5.657 9.903 11.021 1.00 5.03 H new ATOM 0 HD2 TYR A 111 -6.108 10.558 6.844 1.00 61.14 H new ATOM 0 HE1 TYR A 111 -5.393 12.313 11.374 1.00 21.22 H new ATOM 0 HE2 TYR A 111 -5.851 12.972 7.194 1.00 33.35 H new ATOM 0 HH TYR A 111 -5.522 14.601 8.648 1.00 73.31 H new ATOM 1630 N VAL A 112 -5.183 5.398 9.176 1.00 31.21 N ATOM 1631 CA VAL A 112 -5.451 4.071 8.708 1.00 10.05 C ATOM 1632 C VAL A 112 -6.921 3.806 8.961 1.00 13.30 C ATOM 1633 O VAL A 112 -7.397 3.958 10.084 1.00 72.24 O ATOM 1634 CB VAL A 112 -4.557 2.992 9.384 1.00 51.20 C ATOM 1635 CG1 VAL A 112 -4.768 1.635 8.720 1.00 21.41 C ATOM 1636 CG2 VAL A 112 -3.083 3.387 9.318 1.00 1.12 C ATOM 0 H VAL A 112 -5.147 5.501 10.190 1.00 31.21 H new ATOM 0 HA VAL A 112 -5.212 4.005 7.646 1.00 10.05 H new ATOM 0 HB VAL A 112 -4.846 2.920 10.432 1.00 51.20 H new ATOM 0 HG11 VAL A 112 -4.136 0.891 9.204 1.00 21.41 H new ATOM 0 HG12 VAL A 112 -5.813 1.341 8.817 1.00 21.41 H new ATOM 0 HG13 VAL A 112 -4.506 1.702 7.664 1.00 21.41 H new ATOM 0 HG21 VAL A 112 -2.478 2.617 9.797 1.00 1.12 H new ATOM 0 HG22 VAL A 112 -2.780 3.490 8.276 1.00 1.12 H new ATOM 0 HG23 VAL A 112 -2.937 4.336 9.834 1.00 1.12 H new ATOM 1646 N ASN A 113 -7.644 3.509 7.895 1.00 51.44 N ATOM 1647 CA ASN A 113 -9.109 3.317 7.899 1.00 4.42 C ATOM 1648 C ASN A 113 -9.799 4.609 8.330 1.00 3.02 C ATOM 1649 O ASN A 113 -10.932 4.611 8.798 1.00 32.41 O ATOM 1650 CB ASN A 113 -9.556 2.109 8.765 1.00 22.25 C ATOM 1651 CG ASN A 113 -8.997 0.775 8.270 1.00 31.53 C ATOM 1652 OD1 ASN A 113 -9.559 0.147 7.366 1.00 54.14 O ATOM 1653 ND2 ASN A 113 -7.942 0.308 8.882 1.00 31.40 N ATOM 0 H ASN A 113 -7.230 3.388 6.971 1.00 51.44 H new ATOM 0 HA ASN A 113 -9.415 3.076 6.881 1.00 4.42 H new ATOM 0 HB2 ASN A 113 -9.237 2.270 9.795 1.00 22.25 H new ATOM 0 HB3 ASN A 113 -10.645 2.059 8.773 1.00 22.25 H new ATOM 0 HD21 ASN A 113 -7.559 -0.600 8.618 1.00 31.40 H new ATOM 0 HD22 ASN A 113 -7.501 0.851 9.624 1.00 31.40 H new ATOM 1660 N ARG A 114 -9.080 5.719 8.089 1.00 31.25 N ATOM 1661 CA ARG A 114 -9.471 7.099 8.422 1.00 22.44 C ATOM 1662 C ARG A 114 -9.337 7.397 9.914 1.00 41.13 C ATOM 1663 O ARG A 114 -9.841 8.404 10.411 1.00 34.24 O ATOM 1664 CB ARG A 114 -10.859 7.505 7.883 1.00 12.41 C ATOM 1665 CG ARG A 114 -11.009 7.371 6.369 1.00 22.42 C ATOM 1666 CD ARG A 114 -12.218 8.138 5.871 1.00 51.13 C ATOM 1667 NE ARG A 114 -12.049 9.577 6.097 1.00 52.35 N ATOM 1668 CZ ARG A 114 -13.022 10.499 6.121 1.00 2.53 C ATOM 1669 NH1 ARG A 114 -14.281 10.170 5.867 1.00 61.21 N ATOM 1670 NH2 ARG A 114 -12.710 11.761 6.389 1.00 13.15 N ATOM 0 H ARG A 114 -8.167 5.676 7.635 1.00 31.25 H new ATOM 0 HA ARG A 114 -8.754 7.728 7.895 1.00 22.44 H new ATOM 0 HB2 ARG A 114 -11.618 6.890 8.367 1.00 12.41 H new ATOM 0 HB3 ARG A 114 -11.058 8.539 8.166 1.00 12.41 H new ATOM 0 HG2 ARG A 114 -10.110 7.743 5.877 1.00 22.42 H new ATOM 0 HG3 ARG A 114 -11.106 6.319 6.102 1.00 22.42 H new ATOM 0 HD2 ARG A 114 -12.364 7.947 4.808 1.00 51.13 H new ATOM 0 HD3 ARG A 114 -13.114 7.787 6.384 1.00 51.13 H new ATOM 0 HE ARG A 114 -11.097 9.909 6.251 1.00 52.35 H new ATOM 0 HH11 ARG A 114 -14.521 9.203 5.649 1.00 61.21 H new ATOM 0 HH12 ARG A 114 -15.009 10.884 5.889 1.00 61.21 H new ATOM 0 HH21 ARG A 114 -11.740 12.019 6.573 1.00 13.15 H new ATOM 0 HH22 ARG A 114 -13.440 12.473 6.411 1.00 13.15 H new ATOM 1684 N GLU A 115 -8.643 6.541 10.616 1.00 55.11 N ATOM 1685 CA GLU A 115 -8.351 6.765 12.005 1.00 11.14 C ATOM 1686 C GLU A 115 -6.860 7.037 12.135 1.00 53.04 C ATOM 1687 O GLU A 115 -6.052 6.256 11.621 1.00 71.31 O ATOM 1688 CB GLU A 115 -8.767 5.543 12.849 1.00 24.52 C ATOM 1689 CG GLU A 115 -8.481 5.660 14.354 1.00 2.31 C ATOM 1690 CD GLU A 115 -9.081 6.901 14.981 1.00 13.32 C ATOM 1691 OE1 GLU A 115 -10.233 7.240 14.675 1.00 60.42 O ATOM 1692 OE2 GLU A 115 -8.402 7.567 15.807 1.00 54.11 O ATOM 0 H GLU A 115 -8.265 5.671 10.241 1.00 55.11 H new ATOM 0 HA GLU A 115 -8.915 7.621 12.376 1.00 11.14 H new ATOM 0 HB2 GLU A 115 -9.835 5.372 12.710 1.00 24.52 H new ATOM 0 HB3 GLU A 115 -8.251 4.663 12.465 1.00 24.52 H new ATOM 0 HG2 GLU A 115 -8.873 4.779 14.861 1.00 2.31 H new ATOM 0 HG3 GLU A 115 -7.403 5.666 14.513 1.00 2.31 H new ATOM 1699 N PRO A 116 -6.468 8.186 12.725 1.00 33.44 N ATOM 1700 CA PRO A 116 -5.068 8.494 12.969 1.00 53.14 C ATOM 1701 C PRO A 116 -4.418 7.412 13.813 1.00 53.14 C ATOM 1702 O PRO A 116 -4.651 7.305 15.025 1.00 33.14 O ATOM 1703 CB PRO A 116 -5.078 9.839 13.711 1.00 3.14 C ATOM 1704 CG PRO A 116 -6.498 10.074 14.104 1.00 34.03 C ATOM 1705 CD PRO A 116 -7.355 9.271 13.167 1.00 65.44 C ATOM 0 HA PRO A 116 -4.493 8.546 12.044 1.00 53.14 H new ATOM 0 HB2 PRO A 116 -4.430 9.808 14.587 1.00 3.14 H new ATOM 0 HB3 PRO A 116 -4.711 10.642 13.071 1.00 3.14 H new ATOM 0 HG2 PRO A 116 -6.667 9.770 15.137 1.00 34.03 H new ATOM 0 HG3 PRO A 116 -6.745 11.134 14.039 1.00 34.03 H new ATOM 0 HD2 PRO A 116 -8.242 8.884 13.668 1.00 65.44 H new ATOM 0 HD3 PRO A 116 -7.701 9.872 12.326 1.00 65.44 H new ATOM 1713 N ARG A 117 -3.653 6.598 13.166 1.00 2.21 N ATOM 1714 CA ARG A 117 -3.022 5.491 13.780 1.00 51.21 C ATOM 1715 C ARG A 117 -1.672 5.385 13.122 1.00 43.44 C ATOM 1716 O ARG A 117 -1.588 5.085 11.941 1.00 33.43 O ATOM 1717 CB ARG A 117 -3.845 4.222 13.510 1.00 42.25 C ATOM 1718 CG ARG A 117 -3.506 3.029 14.387 1.00 61.22 C ATOM 1719 CD ARG A 117 -4.230 3.052 15.740 1.00 63.25 C ATOM 1720 NE ARG A 117 -3.932 4.223 16.578 1.00 24.41 N ATOM 1721 CZ ARG A 117 -4.711 4.642 17.594 1.00 31.31 C ATOM 1722 NH1 ARG A 117 -5.767 3.914 17.978 1.00 1.35 N ATOM 1723 NH2 ARG A 117 -4.413 5.761 18.244 1.00 45.22 N ATOM 0 H ARG A 117 -3.448 6.691 12.171 1.00 2.21 H new ATOM 0 HA ARG A 117 -2.934 5.608 14.860 1.00 51.21 H new ATOM 0 HB2 ARG A 117 -4.901 4.459 13.640 1.00 42.25 H new ATOM 0 HB3 ARG A 117 -3.709 3.936 12.467 1.00 42.25 H new ATOM 0 HG2 ARG A 117 -3.765 2.112 13.858 1.00 61.22 H new ATOM 0 HG3 ARG A 117 -2.430 3.005 14.558 1.00 61.22 H new ATOM 0 HD2 ARG A 117 -5.305 3.014 15.562 1.00 63.25 H new ATOM 0 HD3 ARG A 117 -3.966 2.150 16.293 1.00 63.25 H new ATOM 0 HE ARG A 117 -3.083 4.751 16.377 1.00 24.41 H new ATOM 0 HH11 ARG A 117 -5.984 3.039 17.501 1.00 1.35 H new ATOM 0 HH12 ARG A 117 -6.355 4.234 18.748 1.00 1.35 H new ATOM 0 HH21 ARG A 117 -3.593 6.305 17.974 1.00 45.22 H new ATOM 0 HH22 ARG A 117 -5.004 6.077 19.013 1.00 45.22 H new ATOM 1737 N ASN A 118 -0.635 5.671 13.862 1.00 4.42 N ATOM 1738 CA ASN A 118 0.695 5.726 13.280 1.00 33.41 C ATOM 1739 C ASN A 118 1.297 4.353 13.140 1.00 10.14 C ATOM 1740 O ASN A 118 2.184 4.143 12.338 1.00 62.34 O ATOM 1741 CB ASN A 118 1.627 6.661 14.040 1.00 14.34 C ATOM 1742 CG ASN A 118 1.088 8.080 14.137 1.00 41.32 C ATOM 1743 OD1 ASN A 118 0.433 8.434 15.113 1.00 72.41 O ATOM 1744 ND2 ASN A 118 1.313 8.888 13.148 1.00 50.51 N ATOM 0 H ASN A 118 -0.675 5.869 14.862 1.00 4.42 H new ATOM 0 HA ASN A 118 0.576 6.143 12.280 1.00 33.41 H new ATOM 0 HB2 ASN A 118 1.788 6.269 15.044 1.00 14.34 H new ATOM 0 HB3 ASN A 118 2.598 6.679 13.546 1.00 14.34 H new ATOM 0 HD21 ASN A 118 0.943 9.838 13.172 1.00 50.51 H new ATOM 0 HD22 ASN A 118 1.860 8.573 12.347 1.00 50.51 H new ATOM 1751 N ALA A 119 0.845 3.425 13.926 1.00 73.13 N ATOM 1752 CA ALA A 119 1.252 2.065 13.736 1.00 62.44 C ATOM 1753 C ALA A 119 0.013 1.227 13.734 1.00 63.23 C ATOM 1754 O ALA A 119 -0.874 1.427 14.571 1.00 51.24 O ATOM 1755 CB ALA A 119 2.202 1.626 14.846 1.00 73.22 C ATOM 0 H ALA A 119 0.199 3.581 14.700 1.00 73.13 H new ATOM 0 HA ALA A 119 1.789 1.954 12.794 1.00 62.44 H new ATOM 0 HB1 ALA A 119 2.499 0.590 14.682 1.00 73.22 H new ATOM 0 HB2 ALA A 119 3.087 2.262 14.840 1.00 73.22 H new ATOM 0 HB3 ALA A 119 1.700 1.712 15.810 1.00 73.22 H new ATOM 1761 N GLN A 120 -0.067 0.298 12.841 1.00 62.13 N ATOM 1762 CA GLN A 120 -1.229 -0.535 12.748 1.00 35.45 C ATOM 1763 C GLN A 120 -0.775 -1.951 12.451 1.00 42.42 C ATOM 1764 O GLN A 120 0.234 -2.155 11.753 1.00 64.14 O ATOM 1765 CB GLN A 120 -2.166 -0.010 11.627 1.00 74.20 C ATOM 1766 CG GLN A 120 -3.679 -0.112 11.907 1.00 12.04 C ATOM 1767 CD GLN A 120 -4.153 -1.493 12.252 1.00 13.45 C ATOM 1768 OE1 GLN A 120 -4.180 -1.869 13.429 1.00 34.02 O ATOM 1769 NE2 GLN A 120 -4.534 -2.262 11.272 1.00 4.22 N ATOM 0 H GLN A 120 0.662 0.092 12.158 1.00 62.13 H new ATOM 0 HA GLN A 120 -1.786 -0.519 13.685 1.00 35.45 H new ATOM 0 HB2 GLN A 120 -1.922 1.035 11.437 1.00 74.20 H new ATOM 0 HB3 GLN A 120 -1.948 -0.560 10.712 1.00 74.20 H new ATOM 0 HG2 GLN A 120 -3.931 0.561 12.727 1.00 12.04 H new ATOM 0 HG3 GLN A 120 -4.223 0.237 11.029 1.00 12.04 H new ATOM 0 HE21 GLN A 120 -4.499 -1.920 10.312 1.00 4.22 H new ATOM 0 HE22 GLN A 120 -4.868 -3.206 11.465 1.00 4.22 H new ATOM 1778 N VAL A 121 -1.486 -2.904 12.977 1.00 63.43 N ATOM 1779 CA VAL A 121 -1.239 -4.289 12.689 1.00 12.12 C ATOM 1780 C VAL A 121 -2.200 -4.633 11.574 1.00 71.34 C ATOM 1781 O VAL A 121 -3.405 -4.763 11.808 1.00 72.43 O ATOM 1782 CB VAL A 121 -1.499 -5.191 13.924 1.00 4.45 C ATOM 1783 CG1 VAL A 121 -1.143 -6.642 13.624 1.00 54.13 C ATOM 1784 CG2 VAL A 121 -0.714 -4.684 15.131 1.00 2.04 C ATOM 0 H VAL A 121 -2.259 -2.743 13.622 1.00 63.43 H new ATOM 0 HA VAL A 121 -0.198 -4.455 12.412 1.00 12.12 H new ATOM 0 HB VAL A 121 -2.562 -5.146 14.159 1.00 4.45 H new ATOM 0 HG11 VAL A 121 -1.334 -7.253 14.506 1.00 54.13 H new ATOM 0 HG12 VAL A 121 -1.751 -7.002 12.794 1.00 54.13 H new ATOM 0 HG13 VAL A 121 -0.088 -6.710 13.357 1.00 54.13 H new ATOM 0 HG21 VAL A 121 -0.908 -5.329 15.988 1.00 2.04 H new ATOM 0 HG22 VAL A 121 0.352 -4.695 14.903 1.00 2.04 H new ATOM 0 HG23 VAL A 121 -1.024 -3.666 15.365 1.00 2.04 H new ATOM 1794 N MET A 122 -1.669 -4.716 10.379 1.00 23.23 N ATOM 1795 CA MET A 122 -2.458 -4.804 9.161 1.00 54.24 C ATOM 1796 C MET A 122 -3.416 -5.962 9.069 1.00 21.32 C ATOM 1797 O MET A 122 -3.087 -7.123 9.326 1.00 4.54 O ATOM 1798 CB MET A 122 -1.617 -4.677 7.900 1.00 43.51 C ATOM 1799 CG MET A 122 -1.465 -3.257 7.399 1.00 20.41 C ATOM 1800 SD MET A 122 -0.397 -3.152 5.950 1.00 21.53 S ATOM 1801 CE MET A 122 -0.745 -1.489 5.392 1.00 20.21 C ATOM 0 H MET A 122 -0.662 -4.725 10.216 1.00 23.23 H new ATOM 0 HA MET A 122 -3.102 -3.928 9.234 1.00 54.24 H new ATOM 0 HB2 MET A 122 -0.627 -5.091 8.093 1.00 43.51 H new ATOM 0 HB3 MET A 122 -2.067 -5.282 7.113 1.00 43.51 H new ATOM 0 HG2 MET A 122 -2.447 -2.854 7.153 1.00 20.41 H new ATOM 0 HG3 MET A 122 -1.055 -2.635 8.195 1.00 20.41 H new ATOM 0 HE1 MET A 122 -1.292 -1.528 4.450 1.00 20.21 H new ATOM 0 HE2 MET A 122 -1.347 -0.973 6.140 1.00 20.21 H new ATOM 0 HE3 MET A 122 0.192 -0.951 5.245 1.00 20.21 H new ATOM 1811 N GLN A 123 -4.611 -5.596 8.743 1.00 61.12 N ATOM 1812 CA GLN A 123 -5.722 -6.460 8.506 1.00 2.44 C ATOM 1813 C GLN A 123 -5.974 -6.471 7.016 1.00 64.24 C ATOM 1814 O GLN A 123 -5.637 -5.507 6.322 1.00 20.42 O ATOM 1815 CB GLN A 123 -6.964 -5.939 9.243 1.00 3.11 C ATOM 1816 CG GLN A 123 -7.502 -6.832 10.371 1.00 63.12 C ATOM 1817 CD GLN A 123 -6.593 -6.994 11.605 1.00 12.52 C ATOM 1818 OE1 GLN A 123 -7.087 -7.162 12.718 1.00 4.01 O ATOM 1819 NE2 GLN A 123 -5.307 -6.991 11.440 1.00 52.13 N ATOM 0 H GLN A 123 -4.855 -4.613 8.626 1.00 61.12 H new ATOM 0 HA GLN A 123 -5.510 -7.465 8.870 1.00 2.44 H new ATOM 0 HB2 GLN A 123 -6.730 -4.960 9.662 1.00 3.11 H new ATOM 0 HB3 GLN A 123 -7.760 -5.791 8.513 1.00 3.11 H new ATOM 0 HG2 GLN A 123 -8.459 -6.427 10.701 1.00 63.12 H new ATOM 0 HG3 GLN A 123 -7.700 -7.822 9.959 1.00 63.12 H new ATOM 0 HE21 GLN A 123 -4.912 -6.850 10.510 1.00 52.13 H new ATOM 0 HE22 GLN A 123 -4.690 -7.129 12.240 1.00 52.13 H new ATOM 1828 N THR A 124 -6.536 -7.524 6.507 1.00 41.14 N ATOM 1829 CA THR A 124 -6.767 -7.595 5.101 1.00 51.22 C ATOM 1830 C THR A 124 -7.985 -6.728 4.734 1.00 50.44 C ATOM 1831 O THR A 124 -9.119 -6.945 5.194 1.00 64.23 O ATOM 1832 CB THR A 124 -6.924 -9.074 4.611 1.00 55.21 C ATOM 1833 OG1 THR A 124 -7.067 -9.115 3.187 1.00 35.30 O ATOM 1834 CG2 THR A 124 -8.099 -9.798 5.271 1.00 34.41 C ATOM 0 H THR A 124 -6.840 -8.339 7.040 1.00 41.14 H new ATOM 0 HA THR A 124 -5.895 -7.199 4.582 1.00 51.22 H new ATOM 0 HB THR A 124 -6.015 -9.598 4.907 1.00 55.21 H new ATOM 0 HG1 THR A 124 -6.955 -10.037 2.873 1.00 35.30 H new ATOM 0 HG21 THR A 124 -8.157 -10.818 4.892 1.00 34.41 H new ATOM 0 HG22 THR A 124 -7.953 -9.820 6.351 1.00 34.41 H new ATOM 0 HG23 THR A 124 -9.026 -9.272 5.041 1.00 34.41 H new ATOM 1842 N GLY A 125 -7.720 -5.706 3.962 1.00 32.43 N ATOM 1843 CA GLY A 125 -8.726 -4.762 3.602 1.00 4.43 C ATOM 1844 C GLY A 125 -8.433 -3.407 4.207 1.00 61.34 C ATOM 1845 O GLY A 125 -9.235 -2.482 4.066 1.00 22.03 O ATOM 0 H GLY A 125 -6.799 -5.512 3.569 1.00 32.43 H new ATOM 0 HA2 GLY A 125 -8.779 -4.677 2.517 1.00 4.43 H new ATOM 0 HA3 GLY A 125 -9.700 -5.114 3.942 1.00 4.43 H new ATOM 1849 N ASP A 126 -7.274 -3.297 4.892 1.00 73.10 N ATOM 1850 CA ASP A 126 -6.849 -2.027 5.517 1.00 61.23 C ATOM 1851 C ASP A 126 -6.648 -0.961 4.494 1.00 74.40 C ATOM 1852 O ASP A 126 -6.019 -1.183 3.448 1.00 32.11 O ATOM 1853 CB ASP A 126 -5.570 -2.137 6.379 1.00 1.32 C ATOM 1854 CG ASP A 126 -5.824 -2.445 7.849 1.00 41.52 C ATOM 1855 OD1 ASP A 126 -6.928 -2.151 8.354 1.00 75.21 O ATOM 1856 OD2 ASP A 126 -4.916 -2.954 8.529 1.00 31.43 O ATOM 0 H ASP A 126 -6.620 -4.068 5.025 1.00 73.10 H new ATOM 0 HA ASP A 126 -7.668 -1.765 6.187 1.00 61.23 H new ATOM 0 HB2 ASP A 126 -4.932 -2.917 5.962 1.00 1.32 H new ATOM 0 HB3 ASP A 126 -5.017 -1.200 6.307 1.00 1.32 H new ATOM 1861 N GLU A 127 -7.172 0.182 4.786 1.00 32.11 N ATOM 1862 CA GLU A 127 -7.102 1.303 3.900 1.00 72.12 C ATOM 1863 C GLU A 127 -6.267 2.403 4.511 1.00 35.03 C ATOM 1864 O GLU A 127 -6.482 2.798 5.647 1.00 1.51 O ATOM 1865 CB GLU A 127 -8.502 1.810 3.598 1.00 22.32 C ATOM 1866 CG GLU A 127 -9.388 0.759 2.967 1.00 2.31 C ATOM 1867 CD GLU A 127 -10.767 1.252 2.695 1.00 2.32 C ATOM 1868 OE1 GLU A 127 -10.964 1.933 1.667 1.00 21.25 O ATOM 1869 OE2 GLU A 127 -11.696 0.939 3.473 1.00 44.04 O ATOM 0 H GLU A 127 -7.668 0.370 5.657 1.00 32.11 H new ATOM 0 HA GLU A 127 -6.631 0.989 2.969 1.00 72.12 H new ATOM 0 HB2 GLU A 127 -8.963 2.159 4.522 1.00 22.32 H new ATOM 0 HB3 GLU A 127 -8.435 2.669 2.931 1.00 22.32 H new ATOM 0 HG2 GLU A 127 -8.937 0.423 2.033 1.00 2.31 H new ATOM 0 HG3 GLU A 127 -9.441 -0.108 3.626 1.00 2.31 H new ATOM 1876 N ILE A 128 -5.313 2.863 3.784 1.00 52.04 N ATOM 1877 CA ILE A 128 -4.487 3.948 4.221 1.00 23.32 C ATOM 1878 C ILE A 128 -5.018 5.216 3.605 1.00 41.31 C ATOM 1879 O ILE A 128 -5.081 5.342 2.376 1.00 22.14 O ATOM 1880 CB ILE A 128 -3.003 3.742 3.831 1.00 65.23 C ATOM 1881 CG1 ILE A 128 -2.459 2.464 4.486 1.00 30.41 C ATOM 1882 CG2 ILE A 128 -2.161 4.960 4.211 1.00 12.21 C ATOM 1883 CD1 ILE A 128 -1.015 2.165 4.159 1.00 52.01 C ATOM 0 H ILE A 128 -5.076 2.499 2.861 1.00 52.04 H new ATOM 0 HA ILE A 128 -4.520 4.003 5.309 1.00 23.32 H new ATOM 0 HB ILE A 128 -2.941 3.628 2.749 1.00 65.23 H new ATOM 0 HG12 ILE A 128 -2.564 2.551 5.567 1.00 30.41 H new ATOM 0 HG13 ILE A 128 -3.073 1.619 4.173 1.00 30.41 H new ATOM 0 HG21 ILE A 128 -1.123 4.788 3.926 1.00 12.21 H new ATOM 0 HG22 ILE A 128 -2.539 5.840 3.691 1.00 12.21 H new ATOM 0 HG23 ILE A 128 -2.219 5.121 5.287 1.00 12.21 H new ATOM 0 HD11 ILE A 128 -0.711 1.247 4.661 1.00 52.01 H new ATOM 0 HD12 ILE A 128 -0.904 2.043 3.082 1.00 52.01 H new ATOM 0 HD13 ILE A 128 -0.387 2.989 4.498 1.00 52.01 H new ATOM 1895 N GLN A 129 -5.415 6.116 4.446 1.00 51.31 N ATOM 1896 CA GLN A 129 -6.003 7.355 4.050 1.00 20.12 C ATOM 1897 C GLN A 129 -4.976 8.463 4.197 1.00 41.40 C ATOM 1898 O GLN A 129 -4.541 8.787 5.319 1.00 30.00 O ATOM 1899 CB GLN A 129 -7.197 7.663 4.959 1.00 74.40 C ATOM 1900 CG GLN A 129 -7.962 8.924 4.588 1.00 42.41 C ATOM 1901 CD GLN A 129 -8.865 8.720 3.400 1.00 3.20 C ATOM 1902 OE1 GLN A 129 -9.388 7.638 3.191 1.00 1.41 O ATOM 1903 NE2 GLN A 129 -9.053 9.734 2.619 1.00 3.51 N ATOM 0 H GLN A 129 -5.337 6.006 5.457 1.00 51.31 H new ATOM 0 HA GLN A 129 -6.334 7.287 3.014 1.00 20.12 H new ATOM 0 HB2 GLN A 129 -7.883 6.817 4.936 1.00 74.40 H new ATOM 0 HB3 GLN A 129 -6.842 7.757 5.985 1.00 74.40 H new ATOM 0 HG2 GLN A 129 -8.557 9.249 5.442 1.00 42.41 H new ATOM 0 HG3 GLN A 129 -7.254 9.724 4.370 1.00 42.41 H new ATOM 0 HE21 GLN A 129 -8.601 10.625 2.822 1.00 3.51 H new ATOM 0 HE22 GLN A 129 -9.654 9.642 1.800 1.00 3.51 H new ATOM 1912 N ILE A 130 -4.566 9.010 3.098 1.00 5.12 N ATOM 1913 CA ILE A 130 -3.692 10.145 3.100 1.00 34.12 C ATOM 1914 C ILE A 130 -4.345 11.254 2.299 1.00 11.33 C ATOM 1915 O ILE A 130 -4.318 11.268 1.056 1.00 5.22 O ATOM 1916 CB ILE A 130 -2.240 9.824 2.598 1.00 43.04 C ATOM 1917 CG1 ILE A 130 -2.260 9.037 1.270 1.00 63.43 C ATOM 1918 CG2 ILE A 130 -1.448 9.083 3.671 1.00 71.43 C ATOM 1919 CD1 ILE A 130 -0.888 8.721 0.702 1.00 65.05 C ATOM 0 H ILE A 130 -4.828 8.683 2.168 1.00 5.12 H new ATOM 0 HA ILE A 130 -3.551 10.467 4.132 1.00 34.12 H new ATOM 0 HB ILE A 130 -1.738 10.772 2.403 1.00 43.04 H new ATOM 0 HG12 ILE A 130 -2.799 8.102 1.425 1.00 63.43 H new ATOM 0 HG13 ILE A 130 -2.821 9.610 0.532 1.00 63.43 H new ATOM 0 HG21 ILE A 130 -0.445 8.871 3.301 1.00 71.43 H new ATOM 0 HG22 ILE A 130 -1.382 9.701 4.566 1.00 71.43 H new ATOM 0 HG23 ILE A 130 -1.951 8.147 3.913 1.00 71.43 H new ATOM 0 HD11 ILE A 130 -0.999 8.167 -0.230 1.00 65.05 H new ATOM 0 HD12 ILE A 130 -0.351 9.650 0.510 1.00 65.05 H new ATOM 0 HD13 ILE A 130 -0.328 8.119 1.417 1.00 65.05 H new ATOM 1931 N GLY A 131 -4.976 12.155 3.016 1.00 34.14 N ATOM 1932 CA GLY A 131 -5.722 13.216 2.402 1.00 1.15 C ATOM 1933 C GLY A 131 -6.947 12.672 1.708 1.00 50.21 C ATOM 1934 O GLY A 131 -7.891 12.233 2.363 1.00 4.11 O ATOM 0 H GLY A 131 -4.984 12.169 4.036 1.00 34.14 H new ATOM 0 HA2 GLY A 131 -6.018 13.944 3.157 1.00 1.15 H new ATOM 0 HA3 GLY A 131 -5.093 13.741 1.683 1.00 1.15 H new ATOM 1938 N LYS A 132 -6.926 12.681 0.393 1.00 3.40 N ATOM 1939 CA LYS A 132 -8.023 12.138 -0.397 1.00 14.12 C ATOM 1940 C LYS A 132 -7.617 10.827 -1.070 1.00 10.52 C ATOM 1941 O LYS A 132 -8.429 10.183 -1.738 1.00 73.43 O ATOM 1942 CB LYS A 132 -8.535 13.146 -1.461 1.00 52.50 C ATOM 1943 CG LYS A 132 -9.412 14.299 -0.935 1.00 4.35 C ATOM 1944 CD LYS A 132 -8.678 15.241 0.007 1.00 1.02 C ATOM 1945 CE LYS A 132 -9.600 16.331 0.531 1.00 24.32 C ATOM 1946 NZ LYS A 132 -8.908 17.230 1.475 1.00 73.41 N ATOM 0 H LYS A 132 -6.158 13.060 -0.160 1.00 3.40 H new ATOM 0 HA LYS A 132 -8.841 11.943 0.296 1.00 14.12 H new ATOM 0 HB2 LYS A 132 -7.672 13.576 -1.970 1.00 52.50 H new ATOM 0 HB3 LYS A 132 -9.105 12.595 -2.209 1.00 52.50 H new ATOM 0 HG2 LYS A 132 -9.794 14.870 -1.782 1.00 4.35 H new ATOM 0 HG3 LYS A 132 -10.275 13.881 -0.417 1.00 4.35 H new ATOM 0 HD2 LYS A 132 -8.269 14.675 0.844 1.00 1.02 H new ATOM 0 HD3 LYS A 132 -7.835 15.695 -0.514 1.00 1.02 H new ATOM 0 HE2 LYS A 132 -9.988 16.912 -0.306 1.00 24.32 H new ATOM 0 HE3 LYS A 132 -10.457 15.875 1.026 1.00 24.32 H new ATOM 0 HZ1 LYS A 132 -9.570 17.959 1.809 1.00 73.41 H new ATOM 0 HZ2 LYS A 132 -8.560 16.680 2.286 1.00 73.41 H new ATOM 0 HZ3 LYS A 132 -8.105 17.685 0.996 1.00 73.41 H new ATOM 1960 N PHE A 133 -6.380 10.423 -0.876 1.00 13.32 N ATOM 1961 CA PHE A 133 -5.877 9.219 -1.503 1.00 73.43 C ATOM 1962 C PHE A 133 -6.033 8.022 -0.584 1.00 30.24 C ATOM 1963 O PHE A 133 -5.944 8.152 0.648 1.00 35.22 O ATOM 1964 CB PHE A 133 -4.412 9.375 -1.928 1.00 45.04 C ATOM 1965 CG PHE A 133 -4.180 10.441 -2.954 1.00 2.53 C ATOM 1966 CD1 PHE A 133 -4.672 10.305 -4.237 1.00 60.40 C ATOM 1967 CD2 PHE A 133 -3.458 11.570 -2.641 1.00 54.13 C ATOM 1968 CE1 PHE A 133 -4.450 11.274 -5.185 1.00 42.45 C ATOM 1969 CE2 PHE A 133 -3.234 12.546 -3.584 1.00 32.12 C ATOM 1970 CZ PHE A 133 -3.729 12.398 -4.856 1.00 53.11 C ATOM 0 H PHE A 133 -5.703 10.911 -0.289 1.00 13.32 H new ATOM 0 HA PHE A 133 -6.472 9.049 -2.400 1.00 73.43 H new ATOM 0 HB2 PHE A 133 -3.812 9.598 -1.046 1.00 45.04 H new ATOM 0 HB3 PHE A 133 -4.057 8.423 -2.323 1.00 45.04 H new ATOM 0 HD1 PHE A 133 -5.239 9.424 -4.499 1.00 60.40 H new ATOM 0 HD2 PHE A 133 -3.063 11.691 -1.643 1.00 54.13 H new ATOM 0 HE1 PHE A 133 -4.840 11.154 -6.185 1.00 42.45 H new ATOM 0 HE2 PHE A 133 -2.669 13.429 -3.324 1.00 32.12 H new ATOM 0 HZ PHE A 133 -3.552 13.163 -5.597 1.00 53.11 H new ATOM 1980 N ARG A 134 -6.257 6.864 -1.181 1.00 20.41 N ATOM 1981 CA ARG A 134 -6.450 5.631 -0.441 1.00 2.30 C ATOM 1982 C ARG A 134 -5.640 4.495 -1.021 1.00 52.23 C ATOM 1983 O ARG A 134 -5.678 4.222 -2.247 1.00 2.42 O ATOM 1984 CB ARG A 134 -7.921 5.174 -0.376 1.00 43.24 C ATOM 1985 CG ARG A 134 -8.851 6.007 0.484 1.00 52.24 C ATOM 1986 CD ARG A 134 -10.189 5.287 0.649 1.00 11.02 C ATOM 1987 NE ARG A 134 -11.139 6.014 1.503 1.00 10.21 N ATOM 1988 CZ ARG A 134 -12.198 5.453 2.136 1.00 23.30 C ATOM 1989 NH1 ARG A 134 -12.337 4.128 2.197 1.00 1.11 N ATOM 1990 NH2 ARG A 134 -13.085 6.222 2.755 1.00 71.20 N ATOM 0 H ARG A 134 -6.310 6.753 -2.194 1.00 20.41 H new ATOM 0 HA ARG A 134 -6.112 5.866 0.568 1.00 2.30 H new ATOM 0 HB2 ARG A 134 -8.318 5.158 -1.391 1.00 43.24 H new ATOM 0 HB3 ARG A 134 -7.944 4.148 -0.008 1.00 43.24 H new ATOM 0 HG2 ARG A 134 -8.399 6.182 1.460 1.00 52.24 H new ATOM 0 HG3 ARG A 134 -9.007 6.984 0.026 1.00 52.24 H new ATOM 0 HD2 ARG A 134 -10.636 5.136 -0.334 1.00 11.02 H new ATOM 0 HD3 ARG A 134 -10.012 4.299 1.074 1.00 11.02 H new ATOM 0 HE ARG A 134 -10.990 7.015 1.629 1.00 10.21 H new ATOM 0 HH11 ARG A 134 -11.641 3.522 1.764 1.00 1.11 H new ATOM 0 HH12 ARG A 134 -13.140 3.721 2.677 1.00 1.11 H new ATOM 0 HH21 ARG A 134 -12.970 7.235 2.754 1.00 71.20 H new ATOM 0 HH22 ARG A 134 -13.882 5.800 3.231 1.00 71.20 H new ATOM 2004 N LEU A 135 -4.928 3.845 -0.163 1.00 74.03 N ATOM 2005 CA LEU A 135 -4.207 2.640 -0.476 1.00 42.34 C ATOM 2006 C LEU A 135 -4.925 1.531 0.224 1.00 20.25 C ATOM 2007 O LEU A 135 -5.458 1.731 1.302 1.00 2.35 O ATOM 2008 CB LEU A 135 -2.729 2.734 -0.020 1.00 53.21 C ATOM 2009 CG LEU A 135 -1.762 1.550 -0.344 1.00 40.42 C ATOM 2010 CD1 LEU A 135 -1.934 0.342 0.569 1.00 23.43 C ATOM 2011 CD2 LEU A 135 -1.828 1.149 -1.810 1.00 14.42 C ATOM 0 H LEU A 135 -4.823 4.140 0.808 1.00 74.03 H new ATOM 0 HA LEU A 135 -4.177 2.468 -1.552 1.00 42.34 H new ATOM 0 HB2 LEU A 135 -2.305 3.636 -0.461 1.00 53.21 H new ATOM 0 HB3 LEU A 135 -2.726 2.876 1.061 1.00 53.21 H new ATOM 0 HG LEU A 135 -0.763 1.935 -0.141 1.00 40.42 H new ATOM 0 HD11 LEU A 135 -1.228 -0.436 0.280 1.00 23.43 H new ATOM 0 HD12 LEU A 135 -1.747 0.637 1.602 1.00 23.43 H new ATOM 0 HD13 LEU A 135 -2.951 -0.040 0.479 1.00 23.43 H new ATOM 0 HD21 LEU A 135 -1.141 0.323 -1.993 1.00 14.42 H new ATOM 0 HD22 LEU A 135 -2.843 0.838 -2.057 1.00 14.42 H new ATOM 0 HD23 LEU A 135 -1.548 1.999 -2.433 1.00 14.42 H new ATOM 2023 N VAL A 136 -4.967 0.406 -0.372 1.00 33.02 N ATOM 2024 CA VAL A 136 -5.660 -0.707 0.221 1.00 20.33 C ATOM 2025 C VAL A 136 -4.755 -1.926 0.213 1.00 53.34 C ATOM 2026 O VAL A 136 -4.136 -2.254 -0.806 1.00 3.41 O ATOM 2027 CB VAL A 136 -7.068 -0.980 -0.427 1.00 43.30 C ATOM 2028 CG1 VAL A 136 -6.976 -1.354 -1.895 1.00 3.43 C ATOM 2029 CG2 VAL A 136 -7.842 -2.031 0.360 1.00 72.33 C ATOM 0 H VAL A 136 -4.533 0.212 -1.275 1.00 33.02 H new ATOM 0 HA VAL A 136 -5.889 -0.454 1.256 1.00 20.33 H new ATOM 0 HB VAL A 136 -7.619 -0.041 -0.379 1.00 43.30 H new ATOM 0 HG11 VAL A 136 -7.977 -1.531 -2.289 1.00 3.43 H new ATOM 0 HG12 VAL A 136 -6.506 -0.541 -2.449 1.00 3.43 H new ATOM 0 HG13 VAL A 136 -6.378 -2.259 -2.003 1.00 3.43 H new ATOM 0 HG21 VAL A 136 -8.810 -2.198 -0.111 1.00 72.33 H new ATOM 0 HG22 VAL A 136 -7.279 -2.964 0.373 1.00 72.33 H new ATOM 0 HG23 VAL A 136 -7.991 -1.683 1.382 1.00 72.33 H new ATOM 2039 N PHE A 137 -4.612 -2.527 1.354 1.00 42.13 N ATOM 2040 CA PHE A 137 -3.735 -3.658 1.525 1.00 44.21 C ATOM 2041 C PHE A 137 -4.557 -4.905 1.763 1.00 62.45 C ATOM 2042 O PHE A 137 -5.454 -4.909 2.614 1.00 32.20 O ATOM 2043 CB PHE A 137 -2.805 -3.397 2.713 1.00 3.33 C ATOM 2044 CG PHE A 137 -1.781 -4.469 2.964 1.00 24.42 C ATOM 2045 CD1 PHE A 137 -0.558 -4.435 2.321 1.00 52.15 C ATOM 2046 CD2 PHE A 137 -2.037 -5.503 3.853 1.00 70.11 C ATOM 2047 CE1 PHE A 137 0.390 -5.406 2.556 1.00 71.43 C ATOM 2048 CE2 PHE A 137 -1.091 -6.474 4.091 1.00 41.40 C ATOM 2049 CZ PHE A 137 0.124 -6.427 3.440 1.00 34.13 C ATOM 0 H PHE A 137 -5.102 -2.248 2.204 1.00 42.13 H new ATOM 0 HA PHE A 137 -3.135 -3.802 0.627 1.00 44.21 H new ATOM 0 HB2 PHE A 137 -2.287 -2.452 2.549 1.00 3.33 H new ATOM 0 HB3 PHE A 137 -3.411 -3.277 3.611 1.00 3.33 H new ATOM 0 HD1 PHE A 137 -0.343 -3.637 1.626 1.00 52.15 H new ATOM 0 HD2 PHE A 137 -2.988 -5.546 4.363 1.00 70.11 H new ATOM 0 HE1 PHE A 137 1.342 -5.366 2.047 1.00 71.43 H new ATOM 0 HE2 PHE A 137 -1.300 -7.273 4.787 1.00 41.40 H new ATOM 0 HZ PHE A 137 0.866 -7.190 3.624 1.00 34.13 H new ATOM 2059 N LEU A 138 -4.275 -5.954 1.024 1.00 25.42 N ATOM 2060 CA LEU A 138 -5.014 -7.178 1.175 1.00 51.25 C ATOM 2061 C LEU A 138 -4.081 -8.345 1.383 1.00 30.11 C ATOM 2062 O LEU A 138 -3.010 -8.446 0.741 1.00 34.01 O ATOM 2063 CB LEU A 138 -5.964 -7.466 -0.009 1.00 10.45 C ATOM 2064 CG LEU A 138 -7.084 -6.448 -0.286 1.00 44.22 C ATOM 2065 CD1 LEU A 138 -6.592 -5.254 -1.090 1.00 1.01 C ATOM 2066 CD2 LEU A 138 -8.262 -7.112 -0.959 1.00 62.01 C ATOM 0 H LEU A 138 -3.541 -5.981 0.316 1.00 25.42 H new ATOM 0 HA LEU A 138 -5.638 -7.047 2.059 1.00 51.25 H new ATOM 0 HB2 LEU A 138 -5.359 -7.554 -0.912 1.00 10.45 H new ATOM 0 HB3 LEU A 138 -6.427 -8.438 0.161 1.00 10.45 H new ATOM 0 HG LEU A 138 -7.414 -6.064 0.679 1.00 44.22 H new ATOM 0 HD11 LEU A 138 -7.419 -4.564 -1.260 1.00 1.01 H new ATOM 0 HD12 LEU A 138 -5.802 -4.745 -0.538 1.00 1.01 H new ATOM 0 HD13 LEU A 138 -6.203 -5.596 -2.049 1.00 1.01 H new ATOM 0 HD21 LEU A 138 -9.040 -6.372 -1.144 1.00 62.01 H new ATOM 0 HD22 LEU A 138 -7.942 -7.547 -1.906 1.00 62.01 H new ATOM 0 HD23 LEU A 138 -8.655 -7.897 -0.313 1.00 62.01 H new ATOM 2078 N ALA A 139 -4.479 -9.228 2.251 1.00 51.32 N ATOM 2079 CA ALA A 139 -3.717 -10.393 2.541 1.00 52.14 C ATOM 2080 C ALA A 139 -4.075 -11.479 1.564 1.00 73.25 C ATOM 2081 O ALA A 139 -5.039 -12.221 1.748 1.00 74.31 O ATOM 2082 CB ALA A 139 -3.914 -10.858 3.978 1.00 41.43 C ATOM 0 H ALA A 139 -5.349 -9.154 2.778 1.00 51.32 H new ATOM 0 HA ALA A 139 -2.660 -10.149 2.436 1.00 52.14 H new ATOM 0 HB1 ALA A 139 -3.314 -11.750 4.157 1.00 41.43 H new ATOM 0 HB2 ALA A 139 -3.603 -10.068 4.662 1.00 41.43 H new ATOM 0 HB3 ALA A 139 -4.966 -11.089 4.145 1.00 41.43 H new ATOM 2088 N GLY A 140 -3.386 -11.468 0.471 1.00 13.44 N ATOM 2089 CA GLY A 140 -3.515 -12.495 -0.515 1.00 40.50 C ATOM 2090 C GLY A 140 -2.175 -13.133 -0.678 1.00 21.33 C ATOM 2091 O GLY A 140 -1.417 -12.732 -1.560 1.00 21.52 O ATOM 0 H GLY A 140 -2.711 -10.741 0.233 1.00 13.44 H new ATOM 0 HA2 GLY A 140 -4.255 -13.233 -0.205 1.00 40.50 H new ATOM 0 HA3 GLY A 140 -3.858 -12.077 -1.461 1.00 40.50 H new ATOM 2095 N PRO A 141 -1.826 -14.111 0.185 1.00 71.42 N ATOM 2096 CA PRO A 141 -0.497 -14.676 0.223 1.00 73.30 C ATOM 2097 C PRO A 141 -0.044 -15.310 -1.065 1.00 41.42 C ATOM 2098 O PRO A 141 -0.678 -16.234 -1.603 1.00 62.12 O ATOM 2099 CB PRO A 141 -0.521 -15.701 1.344 1.00 12.01 C ATOM 2100 CG PRO A 141 -1.962 -15.964 1.626 1.00 4.51 C ATOM 2101 CD PRO A 141 -2.721 -14.747 1.183 1.00 2.11 C ATOM 0 HA PRO A 141 0.224 -13.875 0.387 1.00 73.30 H new ATOM 0 HB2 PRO A 141 -0.008 -16.616 1.048 1.00 12.01 H new ATOM 0 HB3 PRO A 141 -0.012 -15.322 2.230 1.00 12.01 H new ATOM 0 HG2 PRO A 141 -2.305 -16.849 1.091 1.00 4.51 H new ATOM 0 HG3 PRO A 141 -2.120 -16.152 2.688 1.00 4.51 H new ATOM 0 HD2 PRO A 141 -3.683 -15.014 0.744 1.00 2.11 H new ATOM 0 HD3 PRO A 141 -2.926 -14.078 2.019 1.00 2.11 H new