USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1060 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 128 TYR OH : rot 180:sc= -0.113 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -79:sc= 1.12 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.263 (180deg=-0.987) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0943) USER MOD Single : A 8 SER OG : rot 180:sc= -0.206 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 64:sc= 0.802 USER MOD Single : A 15 SER OG : rot -102:sc= 1.2 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -164:sc= -0.0926 (180deg=-0.47) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 0.00177 K(o=0.0018,f=-0.89) USER MOD Single : A 43 ASN : amide:sc= -0.922 K(o=-0.92,f=-3.1) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.304 (180deg=-1.15) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 60:sc= -0.651 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 123:sc= 0.204 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.941 K(o=-0.94,f=-0.075) USER MOD Single : A 71 SER OG : rot 80:sc= 0.131 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0342 (180deg=-0.332) USER MOD Single : A 76 TYR OH : rot 33:sc= 0.0324 USER MOD Single : A 80 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.25) USER MOD Single : A 83 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.73) USER MOD Single : A 89 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.26) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -22:sc= 0.195 USER MOD Single : A 95 THR OG1 : rot 77:sc= 0.844 USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.384 USER MOD Single : A 98 GLN : amide:sc= 0.0775 K(o=0.077,f=-0.8) USER MOD Single : A 99 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-4.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 152:sc= -0.149 (180deg=-0.904) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 163:sc= -0.276 (180deg=-0.859) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.581 3.461 -1.206 1.00 0.00 N ATOM 2 CA MET A 1 38.759 3.345 -2.677 1.00 0.00 C ATOM 3 C MET A 1 37.480 3.736 -3.409 1.00 0.00 C ATOM 4 O MET A 1 37.525 4.394 -4.449 1.00 0.00 O ATOM 5 CB MET A 1 39.164 1.915 -3.046 1.00 0.00 C ATOM 6 CG MET A 1 39.557 1.745 -4.506 1.00 0.00 C ATOM 7 SD MET A 1 38.135 1.554 -5.599 1.00 0.00 S ATOM 8 CE MET A 1 37.461 0.004 -5.010 1.00 0.00 C ATOM 0 H1 MET A 1 39.500 3.340 -0.734 1.00 0.00 H new ATOM 0 H2 MET A 1 38.195 4.399 -0.976 1.00 0.00 H new ATOM 0 H3 MET A 1 37.923 2.726 -0.877 1.00 0.00 H new ATOM 0 HA MET A 1 39.551 4.029 -2.983 1.00 0.00 H new ATOM 0 HB2 MET A 1 40.000 1.610 -2.417 1.00 0.00 H new ATOM 0 HB3 MET A 1 38.335 1.243 -2.822 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.139 2.610 -4.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 40.203 0.873 -4.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 36.952 -0.505 -5.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 38.269 -0.626 -4.637 1.00 0.00 H new ATOM 0 HE3 MET A 1 36.752 0.198 -4.206 1.00 0.00 H new ATOM 18 N ASP A 2 36.339 3.329 -2.859 1.00 0.00 N ATOM 19 CA ASP A 2 35.046 3.643 -3.459 1.00 0.00 C ATOM 20 C ASP A 2 34.399 4.833 -2.757 1.00 0.00 C ATOM 21 O ASP A 2 34.504 4.978 -1.538 1.00 0.00 O ATOM 22 CB ASP A 2 34.117 2.430 -3.394 1.00 0.00 C ATOM 23 CG ASP A 2 32.757 2.715 -4.002 1.00 0.00 C ATOM 24 OD1 ASP A 2 32.602 2.524 -5.226 1.00 0.00 O ATOM 25 OD2 ASP A 2 31.848 3.131 -3.254 1.00 0.00 O ATOM 0 H ASP A 2 36.284 2.782 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 2 35.213 3.904 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 2 34.579 1.593 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 2 33.992 2.126 -2.355 1.00 0.00 H new ATOM 30 N ALA A 3 33.730 5.680 -3.533 1.00 0.00 N ATOM 31 CA ALA A 3 33.067 6.857 -2.983 1.00 0.00 C ATOM 32 C ALA A 3 31.776 7.168 -3.734 1.00 0.00 C ATOM 33 O ALA A 3 30.955 7.959 -3.274 1.00 0.00 O ATOM 34 CB ALA A 3 34.005 8.054 -3.021 1.00 0.00 C ATOM 0 H ALA A 3 33.633 5.574 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 3 32.806 6.644 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 3 33.499 8.926 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 3 34.895 7.838 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 3 34.294 8.257 -4.052 1.00 0.00 H new ATOM 40 N LEU A 4 31.603 6.539 -4.894 1.00 0.00 N ATOM 41 CA LEU A 4 30.410 6.750 -5.707 1.00 0.00 C ATOM 42 C LEU A 4 29.380 5.653 -5.456 1.00 0.00 C ATOM 43 O LEU A 4 29.696 4.464 -5.521 1.00 0.00 O ATOM 44 CB LEU A 4 30.773 6.788 -7.195 1.00 0.00 C ATOM 45 CG LEU A 4 31.532 8.037 -7.653 1.00 0.00 C ATOM 46 CD1 LEU A 4 32.963 8.020 -7.138 1.00 0.00 C ATOM 47 CD2 LEU A 4 31.511 8.144 -9.171 1.00 0.00 C ATOM 0 H LEU A 4 32.273 5.880 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 4 29.976 7.709 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 4 31.377 5.911 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 4 29.856 6.707 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 4 31.033 8.912 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 4 33.482 8.917 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 4 32.957 7.993 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 4 33.477 7.138 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 4 32.055 9.037 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 4 31.984 7.263 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 4 30.479 8.209 -9.517 1.00 0.00 H new ATOM 59 N GLU A 5 28.146 6.059 -5.171 1.00 0.00 N ATOM 60 CA GLU A 5 27.069 5.109 -4.908 1.00 0.00 C ATOM 61 C GLU A 5 26.165 4.960 -6.128 1.00 0.00 C ATOM 62 O GLU A 5 25.664 3.871 -6.411 1.00 0.00 O ATOM 63 CB GLU A 5 26.244 5.560 -3.701 1.00 0.00 C ATOM 64 CG GLU A 5 25.109 4.611 -3.352 1.00 0.00 C ATOM 65 CD GLU A 5 24.328 5.058 -2.132 1.00 0.00 C ATOM 66 OE1 GLU A 5 23.352 5.820 -2.297 1.00 0.00 O ATOM 67 OE2 GLU A 5 24.693 4.646 -1.010 1.00 0.00 O ATOM 0 H GLU A 5 27.867 7.039 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 5 27.519 4.141 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.902 5.659 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 5 25.831 6.549 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.432 4.532 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 5 25.515 3.615 -3.174 1.00 0.00 H new ATOM 74 N GLY A 6 25.960 6.061 -6.845 1.00 0.00 N ATOM 75 CA GLY A 6 25.114 6.028 -8.025 1.00 0.00 C ATOM 76 C GLY A 6 25.911 5.911 -9.310 1.00 0.00 C ATOM 77 O GLY A 6 27.141 5.966 -9.290 1.00 0.00 O ATOM 0 H GLY A 6 26.363 6.973 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 6 24.426 5.186 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 6 24.508 6.933 -8.059 1.00 0.00 H new ATOM 81 N GLU A 7 25.203 5.750 -10.427 1.00 0.00 N ATOM 82 CA GLU A 7 25.838 5.623 -11.739 1.00 0.00 C ATOM 83 C GLU A 7 26.734 4.388 -11.802 1.00 0.00 C ATOM 84 O GLU A 7 26.319 3.335 -12.286 1.00 0.00 O ATOM 85 CB GLU A 7 26.648 6.880 -12.068 1.00 0.00 C ATOM 86 CG GLU A 7 25.814 8.149 -12.103 1.00 0.00 C ATOM 87 CD GLU A 7 26.647 9.386 -12.377 1.00 0.00 C ATOM 88 OE1 GLU A 7 26.893 9.684 -13.565 1.00 0.00 O ATOM 89 OE2 GLU A 7 27.055 10.056 -11.405 1.00 0.00 O ATOM 0 H GLU A 7 24.184 5.704 -10.450 1.00 0.00 H new ATOM 0 HA GLU A 7 25.048 5.508 -12.481 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.440 6.996 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.133 6.747 -13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 7 25.047 8.054 -12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.298 8.267 -11.150 1.00 0.00 H new ATOM 96 N SER A 8 27.962 4.524 -11.311 1.00 0.00 N ATOM 97 CA SER A 8 28.915 3.419 -11.314 1.00 0.00 C ATOM 98 C SER A 8 28.422 2.271 -10.440 1.00 0.00 C ATOM 99 O SER A 8 27.483 2.430 -9.658 1.00 0.00 O ATOM 100 CB SER A 8 30.283 3.897 -10.826 1.00 0.00 C ATOM 101 OG SER A 8 31.224 2.838 -10.821 1.00 0.00 O ATOM 0 H SER A 8 28.321 5.389 -10.906 1.00 0.00 H new ATOM 0 HA SER A 8 29.009 3.056 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.640 4.702 -11.469 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.190 4.309 -9.821 1.00 0.00 H new ATOM 0 HG SER A 8 32.090 3.172 -10.507 1.00 0.00 H new ATOM 107 N PHE A 9 29.060 1.111 -10.576 1.00 0.00 N ATOM 108 CA PHE A 9 28.687 -0.066 -9.800 1.00 0.00 C ATOM 109 C PHE A 9 28.992 0.134 -8.319 1.00 0.00 C ATOM 110 O PHE A 9 30.009 0.730 -7.960 1.00 0.00 O ATOM 111 CB PHE A 9 29.426 -1.300 -10.320 1.00 0.00 C ATOM 112 CG PHE A 9 29.192 -1.572 -11.778 1.00 0.00 C ATOM 113 CD1 PHE A 9 28.036 -2.208 -12.200 1.00 0.00 C ATOM 114 CD2 PHE A 9 30.129 -1.193 -12.725 1.00 0.00 C ATOM 115 CE1 PHE A 9 27.818 -2.459 -13.542 1.00 0.00 C ATOM 116 CE2 PHE A 9 29.917 -1.442 -14.068 1.00 0.00 C ATOM 117 CZ PHE A 9 28.761 -2.077 -14.477 1.00 0.00 C ATOM 0 H PHE A 9 29.839 0.962 -11.218 1.00 0.00 H new ATOM 0 HA PHE A 9 27.613 -0.216 -9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 9 30.495 -1.171 -10.150 1.00 0.00 H new ATOM 0 HB3 PHE A 9 29.114 -2.170 -9.742 1.00 0.00 H new ATOM 0 HD1 PHE A 9 27.297 -2.511 -11.473 1.00 0.00 H new ATOM 0 HD2 PHE A 9 31.036 -0.697 -12.411 1.00 0.00 H new ATOM 0 HE1 PHE A 9 26.912 -2.953 -13.859 1.00 0.00 H new ATOM 0 HE2 PHE A 9 30.655 -1.140 -14.797 1.00 0.00 H new ATOM 0 HZ PHE A 9 28.594 -2.275 -15.526 1.00 0.00 H new ATOM 127 N ALA A 10 28.105 -0.366 -7.463 1.00 0.00 N ATOM 128 CA ALA A 10 28.280 -0.245 -6.020 1.00 0.00 C ATOM 129 C ALA A 10 28.032 -1.579 -5.322 1.00 0.00 C ATOM 130 O ALA A 10 27.637 -2.558 -5.956 1.00 0.00 O ATOM 131 CB ALA A 10 27.354 0.826 -5.464 1.00 0.00 C ATOM 0 H ALA A 10 27.258 -0.859 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 10 29.312 0.048 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.495 0.905 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 10 27.583 1.784 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 26.319 0.558 -5.675 1.00 0.00 H new ATOM 137 N LEU A 11 28.264 -1.609 -4.013 1.00 0.00 N ATOM 138 CA LEU A 11 28.071 -2.824 -3.228 1.00 0.00 C ATOM 139 C LEU A 11 26.619 -2.972 -2.778 1.00 0.00 C ATOM 140 O LEU A 11 26.302 -3.821 -1.947 1.00 0.00 O ATOM 141 CB LEU A 11 29.005 -2.824 -2.012 1.00 0.00 C ATOM 142 CG LEU A 11 29.059 -1.512 -1.224 1.00 0.00 C ATOM 143 CD1 LEU A 11 27.853 -1.379 -0.306 1.00 0.00 C ATOM 144 CD2 LEU A 11 30.351 -1.425 -0.424 1.00 0.00 C ATOM 0 H LEU A 11 28.586 -0.806 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 11 28.313 -3.675 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 11 28.694 -3.621 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.013 -3.067 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 11 29.035 -0.687 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 11 27.915 -0.439 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.940 -1.392 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.839 -2.210 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.373 -0.487 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.403 -2.260 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 11 31.203 -1.466 -1.103 1.00 0.00 H new ATOM 156 N SER A 12 25.742 -2.144 -3.337 1.00 0.00 N ATOM 157 CA SER A 12 24.325 -2.186 -2.992 1.00 0.00 C ATOM 158 C SER A 12 23.573 -3.169 -3.885 1.00 0.00 C ATOM 159 O SER A 12 23.819 -3.243 -5.090 1.00 0.00 O ATOM 160 CB SER A 12 23.708 -0.792 -3.116 1.00 0.00 C ATOM 161 OG SER A 12 22.330 -0.813 -2.785 1.00 0.00 O ATOM 0 H SER A 12 25.987 -1.437 -4.030 1.00 0.00 H new ATOM 0 HA SER A 12 24.239 -2.525 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.233 -0.099 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.835 -0.424 -4.134 1.00 0.00 H new ATOM 0 HG SER A 12 21.959 0.090 -2.870 1.00 0.00 H new ATOM 167 N PHE A 13 22.656 -3.922 -3.285 1.00 0.00 N ATOM 168 CA PHE A 13 21.865 -4.900 -4.022 1.00 0.00 C ATOM 169 C PHE A 13 20.382 -4.757 -3.694 1.00 0.00 C ATOM 170 O PHE A 13 19.527 -4.861 -4.574 1.00 0.00 O ATOM 171 CB PHE A 13 22.338 -6.320 -3.699 1.00 0.00 C ATOM 172 CG PHE A 13 21.553 -7.391 -4.402 1.00 0.00 C ATOM 173 CD1 PHE A 13 21.752 -7.644 -5.749 1.00 0.00 C ATOM 174 CD2 PHE A 13 20.615 -8.144 -3.713 1.00 0.00 C ATOM 175 CE1 PHE A 13 21.029 -8.627 -6.398 1.00 0.00 C ATOM 176 CE2 PHE A 13 19.889 -9.129 -4.356 1.00 0.00 C ATOM 177 CZ PHE A 13 20.097 -9.371 -5.701 1.00 0.00 C ATOM 0 H PHE A 13 22.443 -3.873 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 13 22.003 -4.714 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 13 23.389 -6.414 -3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 13 22.272 -6.480 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 13 22.481 -7.066 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 13 20.450 -7.959 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 13 21.193 -8.813 -7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 13 19.160 -9.709 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 13 19.532 -10.140 -6.206 1.00 0.00 H new ATOM 187 N SER A 14 20.085 -4.520 -2.420 1.00 0.00 N ATOM 188 CA SER A 14 18.706 -4.363 -1.971 1.00 0.00 C ATOM 189 C SER A 14 18.598 -3.260 -0.924 1.00 0.00 C ATOM 190 O SER A 14 19.595 -2.639 -0.558 1.00 0.00 O ATOM 191 CB SER A 14 18.182 -5.680 -1.393 1.00 0.00 C ATOM 192 OG SER A 14 18.233 -6.718 -2.357 1.00 0.00 O ATOM 0 H SER A 14 20.781 -4.432 -1.680 1.00 0.00 H new ATOM 0 HA SER A 14 18.100 -4.084 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.775 -5.959 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.156 -5.548 -1.051 1.00 0.00 H new ATOM 0 HG SER A 14 19.166 -6.893 -2.600 1.00 0.00 H new ATOM 198 N SER A 15 17.380 -3.023 -0.446 1.00 0.00 N ATOM 199 CA SER A 15 17.139 -1.994 0.561 1.00 0.00 C ATOM 200 C SER A 15 17.300 -2.561 1.967 1.00 0.00 C ATOM 201 O SER A 15 17.084 -1.861 2.957 1.00 0.00 O ATOM 202 CB SER A 15 15.737 -1.410 0.394 1.00 0.00 C ATOM 203 OG SER A 15 15.563 -0.865 -0.902 1.00 0.00 O ATOM 0 H SER A 15 16.545 -3.529 -0.740 1.00 0.00 H new ATOM 0 HA SER A 15 17.876 -1.203 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.993 -2.187 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.571 -0.636 1.143 1.00 0.00 H new ATOM 0 HG SER A 15 15.635 0.111 -0.859 1.00 0.00 H new ATOM 209 N ALA A 16 17.687 -3.833 2.044 1.00 0.00 N ATOM 210 CA ALA A 16 17.876 -4.505 3.326 1.00 0.00 C ATOM 211 C ALA A 16 19.013 -3.877 4.126 1.00 0.00 C ATOM 212 O ALA A 16 19.262 -4.257 5.270 1.00 0.00 O ATOM 213 CB ALA A 16 18.141 -5.987 3.109 1.00 0.00 C ATOM 0 H ALA A 16 17.876 -4.419 1.231 1.00 0.00 H new ATOM 0 HA ALA A 16 16.959 -4.386 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.280 -6.477 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.293 -6.437 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 16 19.040 -6.111 2.506 1.00 0.00 H new ATOM 219 N SER A 17 19.700 -2.912 3.518 1.00 0.00 N ATOM 220 CA SER A 17 20.809 -2.229 4.175 1.00 0.00 C ATOM 221 C SER A 17 20.316 -1.375 5.340 1.00 0.00 C ATOM 222 O SER A 17 21.110 -0.709 6.005 1.00 0.00 O ATOM 223 CB SER A 17 21.558 -1.352 3.169 1.00 0.00 C ATOM 224 OG SER A 17 22.072 -2.127 2.100 1.00 0.00 O ATOM 0 H SER A 17 19.507 -2.586 2.571 1.00 0.00 H new ATOM 0 HA SER A 17 21.487 -2.987 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 17 20.887 -0.587 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 17 22.374 -0.833 3.671 1.00 0.00 H new ATOM 0 HG SER A 17 22.544 -1.543 1.470 1.00 0.00 H new ATOM 230 N ASP A 18 19.000 -1.400 5.569 1.00 0.00 N ATOM 231 CA ASP A 18 18.366 -0.641 6.650 1.00 0.00 C ATOM 232 C ASP A 18 18.282 0.844 6.315 1.00 0.00 C ATOM 233 O ASP A 18 17.291 1.505 6.625 1.00 0.00 O ATOM 234 CB ASP A 18 19.109 -0.843 7.975 1.00 0.00 C ATOM 235 CG ASP A 18 19.181 -2.301 8.380 1.00 0.00 C ATOM 236 OD1 ASP A 18 20.100 -3.004 7.909 1.00 0.00 O ATOM 237 OD2 ASP A 18 18.319 -2.742 9.169 1.00 0.00 O ATOM 0 H ASP A 18 18.345 -1.947 5.010 1.00 0.00 H new ATOM 0 HA ASP A 18 17.351 -1.023 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.119 -0.443 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.609 -0.275 8.759 1.00 0.00 H new ATOM 242 N ALA A 19 19.324 1.360 5.682 1.00 0.00 N ATOM 243 CA ALA A 19 19.371 2.764 5.301 1.00 0.00 C ATOM 244 C ALA A 19 18.354 3.070 4.208 1.00 0.00 C ATOM 245 O ALA A 19 17.539 3.984 4.341 1.00 0.00 O ATOM 246 CB ALA A 19 20.772 3.139 4.840 1.00 0.00 C ATOM 0 H ALA A 19 20.152 0.825 5.420 1.00 0.00 H new ATOM 0 HA ALA A 19 19.116 3.361 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.793 4.192 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.480 2.966 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.048 2.528 3.981 1.00 0.00 H new ATOM 252 N GLU A 20 18.407 2.296 3.129 1.00 0.00 N ATOM 253 CA GLU A 20 17.496 2.484 2.006 1.00 0.00 C ATOM 254 C GLU A 20 16.056 2.181 2.415 1.00 0.00 C ATOM 255 O GLU A 20 15.152 2.975 2.155 1.00 0.00 O ATOM 256 CB GLU A 20 17.908 1.592 0.834 1.00 0.00 C ATOM 257 CG GLU A 20 17.708 2.244 -0.526 1.00 0.00 C ATOM 258 CD GLU A 20 16.274 2.677 -0.763 1.00 0.00 C ATOM 259 OE1 GLU A 20 15.480 1.851 -1.258 1.00 0.00 O ATOM 260 OE2 GLU A 20 15.947 3.842 -0.456 1.00 0.00 O ATOM 0 H GLU A 20 19.072 1.532 3.009 1.00 0.00 H new ATOM 0 HA GLU A 20 17.552 3.527 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.957 1.320 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.333 0.667 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.363 3.111 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.006 1.544 -1.307 1.00 0.00 H new ATOM 267 N PHE A 21 15.851 1.029 3.054 1.00 0.00 N ATOM 268 CA PHE A 21 14.518 0.628 3.502 1.00 0.00 C ATOM 269 C PHE A 21 13.859 1.742 4.311 1.00 0.00 C ATOM 270 O PHE A 21 12.707 2.101 4.068 1.00 0.00 O ATOM 271 CB PHE A 21 14.602 -0.647 4.346 1.00 0.00 C ATOM 272 CG PHE A 21 13.261 -1.191 4.755 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.657 -0.774 5.932 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.605 -2.121 3.964 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.425 -1.274 6.309 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.374 -2.625 4.337 1.00 0.00 C ATOM 277 CZ PHE A 21 10.784 -2.200 5.512 1.00 0.00 C ATOM 0 H PHE A 21 16.589 0.359 3.272 1.00 0.00 H new ATOM 0 HA PHE A 21 13.909 0.433 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.137 -1.411 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.189 -0.442 5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.155 -0.051 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.062 -2.456 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.964 -0.940 7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.874 -3.350 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.822 -2.592 5.806 1.00 0.00 H new ATOM 287 N ASP A 22 14.601 2.286 5.273 1.00 0.00 N ATOM 288 CA ASP A 22 14.092 3.358 6.122 1.00 0.00 C ATOM 289 C ASP A 22 13.680 4.567 5.288 1.00 0.00 C ATOM 290 O ASP A 22 12.631 5.169 5.525 1.00 0.00 O ATOM 291 CB ASP A 22 15.152 3.770 7.145 1.00 0.00 C ATOM 292 CG ASP A 22 14.655 4.841 8.096 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.767 6.038 7.753 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.153 4.484 9.182 1.00 0.00 O ATOM 0 H ASP A 22 15.558 2.001 5.483 1.00 0.00 H new ATOM 0 HA ASP A 22 13.212 2.985 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.460 2.895 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.035 4.135 6.621 1.00 0.00 H new ATOM 299 N ALA A 23 14.511 4.915 4.311 1.00 0.00 N ATOM 300 CA ALA A 23 14.237 6.051 3.438 1.00 0.00 C ATOM 301 C ALA A 23 12.872 5.916 2.769 1.00 0.00 C ATOM 302 O ALA A 23 12.086 6.865 2.745 1.00 0.00 O ATOM 303 CB ALA A 23 15.329 6.186 2.389 1.00 0.00 C ATOM 0 H ALA A 23 15.382 4.426 4.104 1.00 0.00 H new ATOM 0 HA ALA A 23 14.223 6.952 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.111 7.038 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.289 6.339 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.370 5.278 1.788 1.00 0.00 H new ATOM 309 N VAL A 24 12.596 4.732 2.231 1.00 0.00 N ATOM 310 CA VAL A 24 11.326 4.476 1.560 1.00 0.00 C ATOM 311 C VAL A 24 10.153 4.669 2.515 1.00 0.00 C ATOM 312 O VAL A 24 9.113 5.205 2.133 1.00 0.00 O ATOM 313 CB VAL A 24 11.270 3.052 0.973 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.009 2.867 0.144 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.509 2.769 0.137 1.00 0.00 C ATOM 0 H VAL A 24 13.233 3.936 2.246 1.00 0.00 H new ATOM 0 HA VAL A 24 11.251 5.195 0.744 1.00 0.00 H new ATOM 0 HB VAL A 24 11.245 2.340 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.986 1.856 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.133 3.025 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.002 3.587 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.451 1.759 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.567 3.486 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.398 2.859 0.762 1.00 0.00 H new ATOM 325 N VAL A 25 10.328 4.231 3.760 1.00 0.00 N ATOM 326 CA VAL A 25 9.283 4.364 4.770 1.00 0.00 C ATOM 327 C VAL A 25 8.912 5.830 4.971 1.00 0.00 C ATOM 328 O VAL A 25 7.746 6.163 5.184 1.00 0.00 O ATOM 329 CB VAL A 25 9.722 3.759 6.120 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.651 3.971 7.182 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.038 2.281 5.964 1.00 0.00 C ATOM 0 H VAL A 25 11.182 3.782 4.092 1.00 0.00 H new ATOM 0 HA VAL A 25 8.413 3.815 4.409 1.00 0.00 H new ATOM 0 HB VAL A 25 10.627 4.272 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.983 3.536 8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.478 5.039 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.725 3.490 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.346 1.871 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.151 1.754 5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.844 2.156 5.242 1.00 0.00 H new ATOM 341 N GLY A 26 9.915 6.701 4.901 1.00 0.00 N ATOM 342 CA GLY A 26 9.678 8.122 5.072 1.00 0.00 C ATOM 343 C GLY A 26 8.868 8.711 3.933 1.00 0.00 C ATOM 344 O GLY A 26 7.985 9.541 4.154 1.00 0.00 O ATOM 0 H GLY A 26 10.888 6.447 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.154 8.290 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.634 8.642 5.142 1.00 0.00 H new ATOM 348 N TYR A 27 9.168 8.280 2.711 1.00 0.00 N ATOM 349 CA TYR A 27 8.460 8.767 1.533 1.00 0.00 C ATOM 350 C TYR A 27 7.003 8.314 1.548 1.00 0.00 C ATOM 351 O TYR A 27 6.121 9.018 1.058 1.00 0.00 O ATOM 352 CB TYR A 27 9.141 8.276 0.253 1.00 0.00 C ATOM 353 CG TYR A 27 10.563 8.769 0.090 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.865 10.123 0.174 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.602 7.879 -0.149 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.162 10.575 0.025 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.902 8.324 -0.299 1.00 0.00 C ATOM 358 CZ TYR A 27 13.177 9.673 -0.212 1.00 0.00 C ATOM 359 OH TYR A 27 14.470 10.119 -0.361 1.00 0.00 O ATOM 0 H TYR A 27 9.897 7.595 2.512 1.00 0.00 H new ATOM 0 HA TYR A 27 8.488 9.856 1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.141 7.186 0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.554 8.599 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.073 10.833 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.391 6.822 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.380 11.631 0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.699 7.619 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 27 15.063 9.355 -0.521 1.00 0.00 H new ATOM 369 N LEU A 28 6.759 7.135 2.113 1.00 0.00 N ATOM 370 CA LEU A 28 5.409 6.589 2.186 1.00 0.00 C ATOM 371 C LEU A 28 4.532 7.416 3.122 1.00 0.00 C ATOM 372 O LEU A 28 3.416 7.791 2.766 1.00 0.00 O ATOM 373 CB LEU A 28 5.449 5.132 2.660 1.00 0.00 C ATOM 374 CG LEU A 28 6.102 4.148 1.686 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.232 2.774 2.325 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.300 4.061 0.395 1.00 0.00 C ATOM 0 H LEU A 28 7.478 6.541 2.526 1.00 0.00 H new ATOM 0 HA LEU A 28 4.977 6.628 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.985 5.090 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.429 4.802 2.855 1.00 0.00 H new ATOM 0 HG LEU A 28 7.100 4.514 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.698 2.087 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.848 2.846 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.243 2.403 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.780 3.357 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.289 3.720 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.256 5.044 -0.073 1.00 0.00 H new ATOM 388 N GLU A 29 5.043 7.700 4.316 1.00 0.00 N ATOM 389 CA GLU A 29 4.302 8.486 5.296 1.00 0.00 C ATOM 390 C GLU A 29 4.010 9.884 4.760 1.00 0.00 C ATOM 391 O GLU A 29 2.978 10.478 5.072 1.00 0.00 O ATOM 392 CB GLU A 29 5.085 8.581 6.607 1.00 0.00 C ATOM 393 CG GLU A 29 5.304 7.238 7.284 1.00 0.00 C ATOM 394 CD GLU A 29 6.098 7.355 8.570 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.344 7.304 8.505 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.474 7.497 9.643 1.00 0.00 O ATOM 0 H GLU A 29 5.966 7.398 4.628 1.00 0.00 H new ATOM 0 HA GLU A 29 3.354 7.983 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.053 9.041 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.552 9.241 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.338 6.782 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.826 6.571 6.598 1.00 0.00 H new ATOM 403 N ASP A 30 4.929 10.401 3.950 1.00 0.00 N ATOM 404 CA ASP A 30 4.776 11.728 3.362 1.00 0.00 C ATOM 405 C ASP A 30 3.602 11.760 2.389 1.00 0.00 C ATOM 406 O ASP A 30 2.929 12.782 2.247 1.00 0.00 O ATOM 407 CB ASP A 30 6.061 12.140 2.644 1.00 0.00 C ATOM 408 CG ASP A 30 5.929 13.476 1.937 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.023 14.519 2.617 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.736 13.479 0.703 1.00 0.00 O ATOM 0 H ASP A 30 5.789 9.920 3.685 1.00 0.00 H new ATOM 0 HA ASP A 30 4.575 12.435 4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.876 12.194 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.329 11.373 1.917 1.00 0.00 H new ATOM 415 N ILE A 31 3.362 10.636 1.721 1.00 0.00 N ATOM 416 CA ILE A 31 2.272 10.536 0.758 1.00 0.00 C ATOM 417 C ILE A 31 0.942 10.252 1.453 1.00 0.00 C ATOM 418 O ILE A 31 -0.109 10.717 1.013 1.00 0.00 O ATOM 419 CB ILE A 31 2.549 9.437 -0.288 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.846 9.745 -1.041 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.381 9.316 -1.258 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.300 8.626 -1.954 1.00 0.00 C ATOM 0 H ILE A 31 3.908 9.781 1.829 1.00 0.00 H new ATOM 0 HA ILE A 31 2.207 11.499 0.251 1.00 0.00 H new ATOM 0 HB ILE A 31 2.663 8.483 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.706 10.650 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.634 9.955 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.594 8.536 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.476 9.060 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.236 10.266 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.224 8.916 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.473 7.724 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.530 8.431 -2.701 1.00 0.00 H new ATOM 434 N ILE A 32 0.992 9.489 2.540 1.00 0.00 N ATOM 435 CA ILE A 32 -0.214 9.153 3.288 1.00 0.00 C ATOM 436 C ILE A 32 -0.831 10.400 3.915 1.00 0.00 C ATOM 437 O ILE A 32 -2.053 10.504 4.042 1.00 0.00 O ATOM 438 CB ILE A 32 0.076 8.115 4.393 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.577 6.810 3.771 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.171 7.863 5.232 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.047 5.792 4.787 1.00 0.00 C ATOM 0 H ILE A 32 1.851 9.093 2.921 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.919 8.720 2.579 1.00 0.00 H new ATOM 0 HB ILE A 32 0.853 8.511 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.223 6.372 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.397 7.034 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.947 7.129 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.490 8.795 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.969 7.485 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.387 4.894 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.869 6.210 5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.224 5.537 5.455 1.00 0.00 H new ATOM 453 N MET A 33 0.019 11.346 4.298 1.00 0.00 N ATOM 454 CA MET A 33 -0.443 12.586 4.911 1.00 0.00 C ATOM 455 C MET A 33 -0.691 13.661 3.856 1.00 0.00 C ATOM 456 O MET A 33 -1.064 14.788 4.182 1.00 0.00 O ATOM 457 CB MET A 33 0.578 13.084 5.934 1.00 0.00 C ATOM 458 CG MET A 33 0.867 12.085 7.044 1.00 0.00 C ATOM 459 SD MET A 33 -0.611 11.621 7.969 1.00 0.00 S ATOM 460 CE MET A 33 -1.095 13.202 8.660 1.00 0.00 C ATOM 0 H MET A 33 1.032 11.278 4.195 1.00 0.00 H new ATOM 0 HA MET A 33 -1.386 12.380 5.418 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.509 13.321 5.419 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.213 14.011 6.377 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.316 11.190 6.613 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.600 12.512 7.729 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.806 13.042 9.470 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.214 13.715 9.046 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.559 13.811 7.884 1.00 0.00 H new ATOM 470 N ASP A 34 -0.477 13.307 2.593 1.00 0.00 N ATOM 471 CA ASP A 34 -0.683 14.242 1.492 1.00 0.00 C ATOM 472 C ASP A 34 -2.166 14.562 1.330 1.00 0.00 C ATOM 473 O ASP A 34 -3.007 13.663 1.315 1.00 0.00 O ATOM 474 CB ASP A 34 -0.126 13.662 0.191 1.00 0.00 C ATOM 475 CG ASP A 34 -0.270 14.617 -0.977 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.627 15.464 -1.166 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.282 14.518 -1.701 1.00 0.00 O ATOM 0 H ASP A 34 -0.161 12.380 2.306 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.151 15.165 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.927 13.416 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.643 12.731 -0.039 1.00 0.00 H new ATOM 482 N ASP A 35 -2.479 15.848 1.207 1.00 0.00 N ATOM 483 CA ASP A 35 -3.861 16.292 1.053 1.00 0.00 C ATOM 484 C ASP A 35 -4.519 15.643 -0.161 1.00 0.00 C ATOM 485 O ASP A 35 -5.609 15.081 -0.061 1.00 0.00 O ATOM 486 CB ASP A 35 -3.917 17.815 0.920 1.00 0.00 C ATOM 487 CG ASP A 35 -3.324 18.524 2.122 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.098 18.766 2.123 1.00 0.00 O ATOM 489 OD2 ASP A 35 -4.085 18.837 3.062 1.00 0.00 O ATOM 0 H ASP A 35 -1.793 16.603 1.211 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.410 15.987 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.380 18.118 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.953 18.128 0.792 1.00 0.00 H new ATOM 494 N GLU A 36 -3.850 15.724 -1.307 1.00 0.00 N ATOM 495 CA GLU A 36 -4.370 15.149 -2.543 1.00 0.00 C ATOM 496 C GLU A 36 -4.574 13.641 -2.410 1.00 0.00 C ATOM 497 O GLU A 36 -5.400 13.054 -3.108 1.00 0.00 O ATOM 498 CB GLU A 36 -3.420 15.449 -3.707 1.00 0.00 C ATOM 499 CG GLU A 36 -3.927 14.954 -5.052 1.00 0.00 C ATOM 500 CD GLU A 36 -2.959 15.249 -6.181 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.083 14.402 -6.448 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.079 16.328 -6.799 1.00 0.00 O ATOM 0 H GLU A 36 -2.945 16.183 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.339 15.606 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.257 16.525 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.452 14.991 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.101 13.879 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.887 15.422 -5.269 1.00 0.00 H new ATOM 509 N PHE A 37 -3.817 13.020 -1.509 1.00 0.00 N ATOM 510 CA PHE A 37 -3.917 11.581 -1.290 1.00 0.00 C ATOM 511 C PHE A 37 -5.163 11.234 -0.480 1.00 0.00 C ATOM 512 O PHE A 37 -5.883 10.289 -0.805 1.00 0.00 O ATOM 513 CB PHE A 37 -2.669 11.062 -0.572 1.00 0.00 C ATOM 514 CG PHE A 37 -2.728 9.595 -0.251 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.520 8.646 -1.240 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.995 9.167 1.040 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.577 7.297 -0.946 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.054 7.819 1.339 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.845 6.882 0.345 1.00 0.00 C ATOM 0 H PHE A 37 -3.129 13.490 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.994 11.099 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.795 11.255 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.532 11.623 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.311 8.964 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.159 9.895 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.412 6.567 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.263 7.498 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.891 5.828 0.576 1.00 0.00 H new ATOM 529 N GLN A 38 -5.411 12.002 0.577 1.00 0.00 N ATOM 530 CA GLN A 38 -6.567 11.771 1.436 1.00 0.00 C ATOM 531 C GLN A 38 -7.870 11.970 0.667 1.00 0.00 C ATOM 532 O GLN A 38 -8.852 11.264 0.901 1.00 0.00 O ATOM 533 CB GLN A 38 -6.527 12.710 2.645 1.00 0.00 C ATOM 534 CG GLN A 38 -5.294 12.530 3.515 1.00 0.00 C ATOM 535 CD GLN A 38 -5.296 13.448 4.723 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.353 13.806 5.243 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.108 13.836 5.175 1.00 0.00 N ATOM 0 H GLN A 38 -4.827 12.789 0.859 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.527 10.739 1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.567 13.741 2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.417 12.545 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.238 11.494 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.402 12.721 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.257 13.515 4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.047 14.455 5.984 1.00 0.00 H new ATOM 546 N LEU A 39 -7.872 12.932 -0.250 1.00 0.00 N ATOM 547 CA LEU A 39 -9.056 13.224 -1.051 1.00 0.00 C ATOM 548 C LEU A 39 -9.347 12.087 -2.028 1.00 0.00 C ATOM 549 O LEU A 39 -10.462 11.571 -2.079 1.00 0.00 O ATOM 550 CB LEU A 39 -8.869 14.540 -1.813 1.00 0.00 C ATOM 551 CG LEU A 39 -10.157 15.192 -2.325 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.930 16.670 -2.600 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.656 14.492 -3.581 1.00 0.00 C ATOM 0 H LEU A 39 -7.067 13.523 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.907 13.322 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.358 15.248 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.212 14.358 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.919 15.092 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.855 17.119 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.622 17.168 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.151 16.784 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.572 14.973 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.896 14.557 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.858 13.444 -3.358 1.00 0.00 H new ATOM 565 N LEU A 40 -8.335 11.707 -2.802 1.00 0.00 N ATOM 566 CA LEU A 40 -8.477 10.635 -3.784 1.00 0.00 C ATOM 567 C LEU A 40 -8.885 9.326 -3.117 1.00 0.00 C ATOM 568 O LEU A 40 -9.708 8.578 -3.647 1.00 0.00 O ATOM 569 CB LEU A 40 -7.164 10.452 -4.553 1.00 0.00 C ATOM 570 CG LEU A 40 -7.119 9.255 -5.508 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.283 9.585 -6.734 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.558 8.025 -4.806 1.00 0.00 C ATOM 0 H LEU A 40 -7.406 12.126 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.265 10.915 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.970 11.359 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.353 10.350 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.138 9.036 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.261 8.724 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.721 10.437 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.267 9.831 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.535 7.187 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.547 8.235 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.190 7.772 -3.955 1.00 0.00 H new ATOM 584 N GLN A 41 -8.307 9.054 -1.953 1.00 0.00 N ATOM 585 CA GLN A 41 -8.603 7.827 -1.220 1.00 0.00 C ATOM 586 C GLN A 41 -10.075 7.757 -0.824 1.00 0.00 C ATOM 587 O GLN A 41 -10.723 6.726 -0.999 1.00 0.00 O ATOM 588 CB GLN A 41 -7.725 7.731 0.029 1.00 0.00 C ATOM 589 CG GLN A 41 -7.909 6.438 0.804 1.00 0.00 C ATOM 590 CD GLN A 41 -7.145 6.428 2.115 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.935 7.472 2.731 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.725 5.244 2.546 1.00 0.00 N ATOM 0 H GLN A 41 -7.631 9.666 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.387 6.986 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.679 7.823 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.948 8.573 0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.970 6.287 1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.579 5.601 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.922 4.404 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.205 5.175 3.421 1.00 0.00 H new ATOM 601 N ARG A 42 -10.597 8.857 -0.294 1.00 0.00 N ATOM 602 CA ARG A 42 -11.989 8.915 0.140 1.00 0.00 C ATOM 603 C ARG A 42 -12.949 8.876 -1.047 1.00 0.00 C ATOM 604 O ARG A 42 -14.011 8.255 -0.978 1.00 0.00 O ATOM 605 CB ARG A 42 -12.231 10.186 0.956 1.00 0.00 C ATOM 606 CG ARG A 42 -13.016 9.952 2.236 1.00 0.00 C ATOM 607 CD ARG A 42 -12.181 9.226 3.277 1.00 0.00 C ATOM 608 NE ARG A 42 -12.907 9.043 4.531 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.320 8.765 5.691 1.00 0.00 C ATOM 610 NH1 ARG A 42 -11.001 8.640 5.761 1.00 0.00 N ATOM 611 NH2 ARG A 42 -13.054 8.614 6.785 1.00 0.00 N ATOM 0 H ARG A 42 -10.076 9.723 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.180 8.039 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.270 10.634 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.767 10.907 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.350 10.908 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.910 9.369 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.881 8.254 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.267 9.790 3.466 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.923 9.134 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.432 8.757 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.556 8.427 6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.068 8.711 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.604 8.401 7.675 1.00 0.00 H new ATOM 625 N ASN A 43 -12.570 9.540 -2.133 1.00 0.00 N ATOM 626 CA ASN A 43 -13.403 9.597 -3.331 1.00 0.00 C ATOM 627 C ASN A 43 -13.653 8.210 -3.914 1.00 0.00 C ATOM 628 O ASN A 43 -14.794 7.850 -4.209 1.00 0.00 O ATOM 629 CB ASN A 43 -12.751 10.494 -4.385 1.00 0.00 C ATOM 630 CG ASN A 43 -12.884 11.966 -4.053 1.00 0.00 C ATOM 631 OD1 ASN A 43 -12.953 12.348 -2.884 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.921 12.805 -5.082 1.00 0.00 N ATOM 0 H ASN A 43 -11.689 10.048 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.367 10.016 -3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.695 10.238 -4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.208 10.301 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.010 13.808 -4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.861 12.446 -6.035 1.00 0.00 H new ATOM 639 N PHE A 44 -12.588 7.432 -4.079 1.00 0.00 N ATOM 640 CA PHE A 44 -12.709 6.090 -4.639 1.00 0.00 C ATOM 641 C PHE A 44 -13.305 5.117 -3.627 1.00 0.00 C ATOM 642 O PHE A 44 -14.166 4.309 -3.971 1.00 0.00 O ATOM 643 CB PHE A 44 -11.350 5.587 -5.127 1.00 0.00 C ATOM 644 CG PHE A 44 -10.963 6.137 -6.471 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.413 5.534 -7.634 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.155 7.259 -6.571 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.062 6.037 -8.873 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.802 7.768 -7.807 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.257 7.155 -8.960 1.00 0.00 C ATOM 0 H PHE A 44 -11.636 7.705 -3.835 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.388 6.145 -5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.586 5.857 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.370 4.498 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.045 4.661 -7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.797 7.741 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.417 5.556 -9.772 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.172 8.643 -7.872 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.983 7.550 -9.927 1.00 0.00 H new ATOM 659 N MET A 45 -12.848 5.195 -2.380 1.00 0.00 N ATOM 660 CA MET A 45 -13.353 4.316 -1.331 1.00 0.00 C ATOM 661 C MET A 45 -14.867 4.449 -1.189 1.00 0.00 C ATOM 662 O MET A 45 -15.540 3.526 -0.734 1.00 0.00 O ATOM 663 CB MET A 45 -12.677 4.623 0.005 1.00 0.00 C ATOM 664 CG MET A 45 -11.307 3.980 0.153 1.00 0.00 C ATOM 665 SD MET A 45 -10.584 4.248 1.783 1.00 0.00 S ATOM 666 CE MET A 45 -11.832 3.509 2.834 1.00 0.00 C ATOM 0 H MET A 45 -12.133 5.854 -2.073 1.00 0.00 H new ATOM 0 HA MET A 45 -13.119 3.290 -1.617 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.576 5.703 0.113 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.320 4.280 0.816 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.391 2.909 -0.031 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.638 4.382 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.380 3.208 3.779 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.623 4.234 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.254 2.635 2.338 1.00 0.00 H new ATOM 676 N ASP A 46 -15.392 5.606 -1.581 1.00 0.00 N ATOM 677 CA ASP A 46 -16.826 5.864 -1.506 1.00 0.00 C ATOM 678 C ASP A 46 -17.596 4.938 -2.443 1.00 0.00 C ATOM 679 O ASP A 46 -18.743 4.582 -2.176 1.00 0.00 O ATOM 680 CB ASP A 46 -17.123 7.323 -1.856 1.00 0.00 C ATOM 681 CG ASP A 46 -18.603 7.642 -1.784 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.075 8.026 -0.693 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.290 7.508 -2.817 1.00 0.00 O ATOM 0 H ASP A 46 -14.844 6.381 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.151 5.669 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.579 7.976 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.756 7.535 -2.860 1.00 0.00 H new ATOM 688 N LYS A 47 -16.962 4.564 -3.549 1.00 0.00 N ATOM 689 CA LYS A 47 -17.587 3.684 -4.532 1.00 0.00 C ATOM 690 C LYS A 47 -17.298 2.217 -4.218 1.00 0.00 C ATOM 691 O LYS A 47 -18.187 1.366 -4.294 1.00 0.00 O ATOM 692 CB LYS A 47 -17.080 4.024 -5.935 1.00 0.00 C ATOM 693 CG LYS A 47 -17.793 3.267 -7.045 1.00 0.00 C ATOM 694 CD LYS A 47 -19.261 3.651 -7.136 1.00 0.00 C ATOM 695 CE LYS A 47 -19.953 2.934 -8.286 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.398 3.283 -8.368 1.00 0.00 N ATOM 0 H LYS A 47 -16.015 4.856 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.665 3.838 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.197 5.094 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.013 3.808 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.304 3.472 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.708 2.195 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.761 3.406 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.349 4.729 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.463 3.195 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.846 1.857 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.833 2.774 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.872 3.011 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.500 4.308 -8.515 1.00 0.00 H new ATOM 710 N TYR A 48 -16.050 1.930 -3.863 1.00 0.00 N ATOM 711 CA TYR A 48 -15.635 0.568 -3.541 1.00 0.00 C ATOM 712 C TYR A 48 -16.432 -0.001 -2.370 1.00 0.00 C ATOM 713 O TYR A 48 -17.017 -1.079 -2.476 1.00 0.00 O ATOM 714 CB TYR A 48 -14.141 0.534 -3.207 1.00 0.00 C ATOM 715 CG TYR A 48 -13.236 0.505 -4.418 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.070 1.630 -5.216 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.538 -0.647 -4.756 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.234 1.607 -6.316 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.702 -0.678 -5.855 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.553 0.451 -6.631 1.00 0.00 C ATOM 721 OH TYR A 48 -10.718 0.425 -7.724 1.00 0.00 O ATOM 0 H TYR A 48 -15.306 2.624 -3.791 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.829 -0.049 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -13.895 1.408 -2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.937 -0.344 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.603 2.537 -4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.651 -1.533 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.115 2.490 -6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.168 -1.583 -6.105 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.012 1.095 -7.612 1.00 0.00 H new ATOM 731 N TYR A 49 -16.452 0.727 -1.255 1.00 0.00 N ATOM 732 CA TYR A 49 -17.165 0.281 -0.060 1.00 0.00 C ATOM 733 C TYR A 49 -18.636 -0.011 -0.362 1.00 0.00 C ATOM 734 O TYR A 49 -19.304 -0.711 0.399 1.00 0.00 O ATOM 735 CB TYR A 49 -17.032 1.318 1.065 1.00 0.00 C ATOM 736 CG TYR A 49 -18.259 2.178 1.280 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.465 3.329 0.534 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.208 1.838 2.236 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.582 4.118 0.732 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.328 2.619 2.440 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.510 3.759 1.686 1.00 0.00 C ATOM 742 OH TYR A 49 -21.625 4.541 1.886 1.00 0.00 O ATOM 0 H TYR A 49 -15.983 1.627 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.708 -0.651 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.802 0.798 1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.184 1.967 0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.740 3.613 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.067 0.947 2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.727 5.011 0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.057 2.339 3.186 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.178 4.147 2.593 1.00 0.00 H new ATOM 752 N LEU A 50 -19.137 0.529 -1.470 1.00 0.00 N ATOM 753 CA LEU A 50 -20.526 0.309 -1.860 1.00 0.00 C ATOM 754 C LEU A 50 -20.689 -1.046 -2.541 1.00 0.00 C ATOM 755 O LEU A 50 -21.601 -1.806 -2.219 1.00 0.00 O ATOM 756 CB LEU A 50 -21.012 1.422 -2.794 1.00 0.00 C ATOM 757 CG LEU A 50 -21.290 2.767 -2.119 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.669 3.813 -3.157 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.393 2.626 -1.080 1.00 0.00 C ATOM 0 H LEU A 50 -18.605 1.119 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.132 0.322 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.264 1.573 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -21.924 1.087 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.381 3.093 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.864 4.764 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.851 3.935 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.565 3.491 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.577 3.593 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.306 2.278 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.088 1.906 -0.321 1.00 0.00 H new ATOM 771 N GLU A 51 -19.798 -1.341 -3.485 1.00 0.00 N ATOM 772 CA GLU A 51 -19.847 -2.607 -4.210 1.00 0.00 C ATOM 773 C GLU A 51 -19.624 -3.787 -3.269 1.00 0.00 C ATOM 774 O GLU A 51 -20.301 -4.810 -3.371 1.00 0.00 O ATOM 775 CB GLU A 51 -18.801 -2.623 -5.326 1.00 0.00 C ATOM 776 CG GLU A 51 -19.062 -1.599 -6.418 1.00 0.00 C ATOM 777 CD GLU A 51 -20.331 -1.890 -7.197 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.407 -1.413 -6.779 1.00 0.00 O ATOM 779 OE2 GLU A 51 -20.249 -2.597 -8.224 1.00 0.00 O ATOM 0 H GLU A 51 -19.036 -0.723 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.839 -2.703 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.818 -2.438 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.772 -3.617 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.133 -0.607 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.215 -1.580 -7.104 1.00 0.00 H new ATOM 786 N PHE A 52 -18.674 -3.638 -2.350 1.00 0.00 N ATOM 787 CA PHE A 52 -18.369 -4.696 -1.393 1.00 0.00 C ATOM 788 C PHE A 52 -19.425 -4.763 -0.294 1.00 0.00 C ATOM 789 O PHE A 52 -19.288 -4.131 0.753 1.00 0.00 O ATOM 790 CB PHE A 52 -16.986 -4.481 -0.777 1.00 0.00 C ATOM 791 CG PHE A 52 -15.856 -4.804 -1.711 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.349 -6.092 -1.787 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.300 -3.822 -2.515 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.311 -6.395 -2.647 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.260 -4.118 -3.376 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.766 -5.406 -3.443 1.00 0.00 C ATOM 0 H PHE A 52 -18.104 -2.798 -2.248 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.373 -5.644 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -16.897 -3.443 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -16.895 -5.098 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.771 -6.868 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.684 -2.814 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.926 -7.403 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.834 -3.343 -3.996 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.955 -5.640 -4.117 1.00 0.00 H new ATOM 806 N GLU A 53 -20.481 -5.530 -0.546 1.00 0.00 N ATOM 807 CA GLU A 53 -21.560 -5.689 0.421 1.00 0.00 C ATOM 808 C GLU A 53 -21.401 -6.992 1.197 1.00 0.00 C ATOM 809 O GLU A 53 -20.717 -7.912 0.747 1.00 0.00 O ATOM 810 CB GLU A 53 -22.918 -5.667 -0.284 1.00 0.00 C ATOM 811 CG GLU A 53 -23.215 -4.355 -0.989 1.00 0.00 C ATOM 812 CD GLU A 53 -24.527 -4.385 -1.748 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.577 -4.103 -1.132 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.506 -4.693 -2.958 1.00 0.00 O ATOM 0 H GLU A 53 -20.612 -6.051 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.511 -4.856 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.953 -6.477 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.702 -5.862 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.243 -3.550 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.404 -4.127 -1.681 1.00 0.00 H new ATOM 821 N ASP A 54 -22.036 -7.066 2.361 1.00 0.00 N ATOM 822 CA ASP A 54 -21.961 -8.259 3.195 1.00 0.00 C ATOM 823 C ASP A 54 -22.930 -9.328 2.701 1.00 0.00 C ATOM 824 O ASP A 54 -24.115 -9.309 3.037 1.00 0.00 O ATOM 825 CB ASP A 54 -22.263 -7.912 4.652 1.00 0.00 C ATOM 826 CG ASP A 54 -22.130 -9.111 5.571 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.117 -9.861 5.716 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.036 -9.299 6.145 1.00 0.00 O ATOM 0 H ASP A 54 -22.608 -6.315 2.748 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.947 -8.654 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.584 -7.126 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.274 -7.512 4.725 1.00 0.00 H new ATOM 833 N THR A 55 -22.419 -10.253 1.896 1.00 0.00 N ATOM 834 CA THR A 55 -23.236 -11.331 1.353 1.00 0.00 C ATOM 835 C THR A 55 -22.598 -12.689 1.622 1.00 0.00 C ATOM 836 O THR A 55 -21.522 -12.774 2.213 1.00 0.00 O ATOM 837 CB THR A 55 -23.446 -11.165 -0.164 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.183 -11.197 -0.840 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.157 -9.855 -0.472 1.00 0.00 C ATOM 0 H THR A 55 -21.442 -10.278 1.605 1.00 0.00 H new ATOM 0 HA THR A 55 -24.203 -11.281 1.853 1.00 0.00 H new ATOM 0 HB THR A 55 -24.067 -11.989 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.189 -11.911 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.294 -9.760 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.130 -9.844 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.557 -9.021 -0.108 1.00 0.00 H new ATOM 847 N GLU A 56 -23.271 -13.749 1.185 1.00 0.00 N ATOM 848 CA GLU A 56 -22.771 -15.104 1.378 1.00 0.00 C ATOM 849 C GLU A 56 -22.127 -15.634 0.100 1.00 0.00 C ATOM 850 O GLU A 56 -21.150 -16.381 0.148 1.00 0.00 O ATOM 851 CB GLU A 56 -23.907 -16.033 1.811 1.00 0.00 C ATOM 852 CG GLU A 56 -24.563 -15.626 3.121 1.00 0.00 C ATOM 853 CD GLU A 56 -25.682 -16.564 3.527 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.830 -16.346 3.085 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.411 -17.517 4.288 1.00 0.00 O ATOM 0 H GLU A 56 -24.164 -13.695 0.695 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.014 -15.076 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.664 -16.056 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.518 -17.047 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.810 -15.602 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.958 -14.614 3.027 1.00 0.00 H new ATOM 862 N GLU A 57 -22.685 -15.243 -1.043 1.00 0.00 N ATOM 863 CA GLU A 57 -22.167 -15.679 -2.335 1.00 0.00 C ATOM 864 C GLU A 57 -21.365 -14.570 -3.007 1.00 0.00 C ATOM 865 O GLU A 57 -21.769 -13.406 -3.003 1.00 0.00 O ATOM 866 CB GLU A 57 -23.315 -16.114 -3.247 1.00 0.00 C ATOM 867 CG GLU A 57 -24.072 -17.329 -2.738 1.00 0.00 C ATOM 868 CD GLU A 57 -25.205 -17.738 -3.659 1.00 0.00 C ATOM 869 OE1 GLU A 57 -24.956 -18.539 -4.586 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.339 -17.258 -3.455 1.00 0.00 O ATOM 0 H GLU A 57 -23.495 -14.626 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.504 -16.527 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.012 -15.284 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -22.917 -16.334 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.380 -18.164 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.473 -17.114 -1.748 1.00 0.00 H new ATOM 877 N ASN A 58 -20.227 -14.939 -3.585 1.00 0.00 N ATOM 878 CA ASN A 58 -19.366 -13.982 -4.268 1.00 0.00 C ATOM 879 C ASN A 58 -19.789 -13.820 -5.725 1.00 0.00 C ATOM 880 O ASN A 58 -20.575 -14.614 -6.243 1.00 0.00 O ATOM 881 CB ASN A 58 -17.906 -14.432 -4.194 1.00 0.00 C ATOM 882 CG ASN A 58 -17.390 -14.489 -2.768 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.839 -13.737 -1.902 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.442 -15.385 -2.516 1.00 0.00 N ATOM 0 H ASN A 58 -19.879 -15.898 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.465 -13.018 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.808 -15.416 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.288 -13.747 -4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.057 -15.470 -1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.099 -15.988 -3.263 1.00 0.00 H new ATOM 891 N LYS A 59 -19.263 -12.791 -6.381 1.00 0.00 N ATOM 892 CA LYS A 59 -19.594 -12.529 -7.777 1.00 0.00 C ATOM 893 C LYS A 59 -18.331 -12.353 -8.614 1.00 0.00 C ATOM 894 O LYS A 59 -17.228 -12.244 -8.077 1.00 0.00 O ATOM 895 CB LYS A 59 -20.470 -11.281 -7.888 1.00 0.00 C ATOM 896 CG LYS A 59 -21.726 -11.341 -7.035 1.00 0.00 C ATOM 897 CD LYS A 59 -22.572 -10.088 -7.201 1.00 0.00 C ATOM 898 CE LYS A 59 -23.804 -10.129 -6.312 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.657 -8.921 -6.489 1.00 0.00 N ATOM 0 H LYS A 59 -18.607 -12.126 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.144 -13.388 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.884 -10.409 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.755 -11.139 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.313 -12.217 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.450 -11.459 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.975 -9.209 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.876 -9.988 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.387 -11.021 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.497 -10.207 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.487 -8.987 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.109 -8.071 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.972 -8.860 -7.478 1.00 0.00 H new ATOM 913 N LEU A 60 -18.501 -12.329 -9.932 1.00 0.00 N ATOM 914 CA LEU A 60 -17.376 -12.165 -10.845 1.00 0.00 C ATOM 915 C LEU A 60 -16.968 -10.698 -10.948 1.00 0.00 C ATOM 916 O LEU A 60 -15.863 -10.380 -11.387 1.00 0.00 O ATOM 917 CB LEU A 60 -17.738 -12.708 -12.232 1.00 0.00 C ATOM 918 CG LEU A 60 -16.603 -12.685 -13.259 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.475 -13.614 -12.834 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.124 -13.073 -14.634 1.00 0.00 C ATOM 0 H LEU A 60 -19.407 -12.421 -10.391 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.531 -12.729 -10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.086 -13.735 -12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.573 -12.128 -12.625 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.208 -11.670 -13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.678 -13.583 -13.577 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.083 -13.293 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.854 -14.633 -12.751 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.305 -13.052 -15.353 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.545 -14.078 -14.593 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.896 -12.368 -14.943 1.00 0.00 H new ATOM 932 N ILE A 61 -17.867 -9.809 -10.533 1.00 0.00 N ATOM 933 CA ILE A 61 -17.606 -8.373 -10.576 1.00 0.00 C ATOM 934 C ILE A 61 -16.465 -7.992 -9.633 1.00 0.00 C ATOM 935 O ILE A 61 -15.870 -6.919 -9.755 1.00 0.00 O ATOM 936 CB ILE A 61 -18.872 -7.567 -10.206 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.643 -6.068 -10.408 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.286 -7.855 -8.770 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.457 -5.670 -11.857 1.00 0.00 C ATOM 0 H ILE A 61 -18.784 -10.059 -10.163 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.316 -8.128 -11.598 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.679 -7.879 -10.869 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.491 -5.521 -9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.763 -5.764 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.179 -7.279 -8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.498 -8.918 -8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.478 -7.574 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.300 -4.593 -11.921 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.591 -6.188 -12.268 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.346 -5.941 -12.426 1.00 0.00 H new ATOM 951 N TYR A 62 -16.153 -8.886 -8.701 1.00 0.00 N ATOM 952 CA TYR A 62 -15.087 -8.645 -7.736 1.00 0.00 C ATOM 953 C TYR A 62 -13.713 -8.669 -8.406 1.00 0.00 C ATOM 954 O TYR A 62 -12.748 -8.120 -7.874 1.00 0.00 O ATOM 955 CB TYR A 62 -15.141 -9.687 -6.617 1.00 0.00 C ATOM 956 CG TYR A 62 -16.311 -9.509 -5.673 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.593 -9.901 -6.041 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.132 -8.951 -4.412 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.662 -9.742 -5.179 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.196 -8.791 -3.546 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.458 -9.187 -3.934 1.00 0.00 C ATOM 962 OH TYR A 62 -19.519 -9.028 -3.072 1.00 0.00 O ATOM 0 H TYR A 62 -16.624 -9.785 -8.594 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.239 -7.653 -7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.192 -10.681 -7.061 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.214 -9.641 -6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.756 -10.337 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.145 -8.638 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.652 -10.051 -5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.040 -8.358 -2.569 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.204 -8.624 -2.237 1.00 0.00 H new ATOM 972 N THR A 63 -13.629 -9.301 -9.575 1.00 0.00 N ATOM 973 CA THR A 63 -12.364 -9.391 -10.299 1.00 0.00 C ATOM 974 C THR A 63 -11.990 -8.056 -10.954 1.00 0.00 C ATOM 975 O THR A 63 -10.883 -7.560 -10.747 1.00 0.00 O ATOM 976 CB THR A 63 -12.397 -10.501 -11.372 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.740 -11.755 -10.770 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.048 -10.624 -12.067 1.00 0.00 C ATOM 0 H THR A 63 -14.416 -9.755 -10.038 1.00 0.00 H new ATOM 0 HA THR A 63 -11.604 -9.643 -9.560 1.00 0.00 H new ATOM 0 HB THR A 63 -13.150 -10.234 -12.114 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.760 -12.453 -11.457 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.096 -11.412 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.799 -9.678 -12.549 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.281 -10.870 -11.332 1.00 0.00 H new ATOM 986 N PRO A 64 -12.897 -7.446 -11.752 1.00 0.00 N ATOM 987 CA PRO A 64 -12.619 -6.162 -12.405 1.00 0.00 C ATOM 988 C PRO A 64 -12.411 -5.039 -11.394 1.00 0.00 C ATOM 989 O PRO A 64 -11.567 -4.165 -11.592 1.00 0.00 O ATOM 990 CB PRO A 64 -13.869 -5.898 -13.251 1.00 0.00 C ATOM 991 CG PRO A 64 -14.935 -6.732 -12.630 1.00 0.00 C ATOM 992 CD PRO A 64 -14.239 -7.950 -12.095 1.00 0.00 C ATOM 0 HA PRO A 64 -11.701 -6.197 -12.992 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.137 -4.842 -13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.707 -6.175 -14.293 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.442 -6.189 -11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.695 -7.005 -13.362 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.752 -8.357 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.193 -8.746 -12.838 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.188 -5.063 -10.312 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.072 -4.044 -9.274 1.00 0.00 C ATOM 1002 C ILE A 65 -11.696 -4.095 -8.617 1.00 0.00 C ATOM 1003 O ILE A 65 -11.059 -3.063 -8.404 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.158 -4.210 -8.191 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.551 -4.051 -8.806 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.952 -3.202 -7.068 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.679 -4.379 -7.849 1.00 0.00 C ATOM 0 H ILE A 65 -13.899 -5.772 -10.133 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.208 -3.077 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.077 -5.212 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.669 -3.025 -9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.629 -4.697 -9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.727 -3.334 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.973 -3.358 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.007 -2.191 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.635 -4.244 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.586 -5.413 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.628 -3.716 -6.985 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.245 -5.305 -8.297 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.944 -5.495 -7.667 1.00 0.00 C ATOM 1021 C PHE A 66 -8.829 -4.940 -8.546 1.00 0.00 C ATOM 1022 O PHE A 66 -7.952 -4.217 -8.070 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.703 -6.979 -7.386 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.414 -7.255 -6.666 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.284 -6.969 -5.316 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.333 -7.801 -7.338 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.099 -7.223 -4.651 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.147 -8.059 -6.679 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.029 -7.769 -5.333 1.00 0.00 C ATOM 0 H PHE A 66 -11.762 -6.168 -8.464 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.940 -4.950 -6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.531 -7.367 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.706 -7.524 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.118 -6.543 -4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.419 -8.028 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.010 -6.995 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.313 -8.487 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.102 -7.969 -4.815 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.869 -5.280 -9.831 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.863 -4.815 -10.779 1.00 0.00 C ATOM 1041 C ASN A 67 -7.820 -3.291 -10.818 1.00 0.00 C ATOM 1042 O ASN A 67 -6.751 -2.692 -10.942 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.155 -5.364 -12.177 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.273 -6.877 -12.196 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -9.016 -7.441 -12.998 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -7.537 -7.543 -11.312 1.00 0.00 N ATOM 0 H ASN A 67 -9.588 -5.877 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.891 -5.182 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.081 -4.926 -12.549 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.361 -5.056 -12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.575 -8.562 -11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.934 -7.035 -10.665 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.992 -2.669 -10.710 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.091 -1.214 -10.728 1.00 0.00 C ATOM 1055 C GLU A 68 -8.372 -0.608 -9.528 1.00 0.00 C ATOM 1056 O GLU A 68 -7.777 0.465 -9.625 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.560 -0.784 -10.726 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.754 0.723 -10.749 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.216 1.123 -10.800 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.758 1.250 -11.919 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.821 1.305 -9.723 1.00 0.00 O ATOM 0 H GLU A 68 -9.885 -3.151 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.613 -0.851 -11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.058 -1.219 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.048 -1.191 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.293 1.158 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.237 1.139 -11.614 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.432 -1.307 -8.400 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.789 -0.845 -7.175 1.00 0.00 C ATOM 1070 C TYR A 69 -6.270 -0.878 -7.309 1.00 0.00 C ATOM 1071 O TYR A 69 -5.571 0.002 -6.803 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.227 -1.712 -5.994 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.721 -1.220 -4.657 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.370 -0.192 -3.986 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.598 -1.785 -4.066 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.913 0.259 -2.762 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.136 -1.339 -2.843 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.796 -0.318 -2.195 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.339 0.129 -0.976 1.00 0.00 O ATOM 0 H TYR A 69 -8.920 -2.198 -8.308 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.095 0.186 -6.998 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.316 -1.751 -5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.875 -2.731 -6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.245 0.262 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.078 -2.586 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.428 1.060 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.261 -1.789 -2.397 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.544 -0.383 -0.717 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.765 -1.900 -7.989 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.329 -2.059 -8.186 1.00 0.00 C ATOM 1091 C ILE A 70 -3.790 -1.066 -9.213 1.00 0.00 C ATOM 1092 O ILE A 70 -2.630 -0.661 -9.151 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.985 -3.493 -8.640 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.633 -4.518 -7.702 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.476 -3.689 -8.693 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.184 -4.404 -6.260 1.00 0.00 C ATOM 0 H ILE A 70 -6.331 -2.634 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.856 -1.862 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.383 -3.645 -9.643 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.716 -4.401 -7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.406 -5.521 -8.064 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.252 -4.706 -9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.042 -2.981 -9.399 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.052 -3.520 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.687 -5.163 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.106 -4.552 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.436 -3.415 -5.878 1.00 0.00 H new ATOM 1108 N SER A 71 -4.635 -0.679 -10.160 1.00 0.00 N ATOM 1109 CA SER A 71 -4.233 0.259 -11.199 1.00 0.00 C ATOM 1110 C SER A 71 -4.386 1.704 -10.737 1.00 0.00 C ATOM 1111 O SER A 71 -3.677 2.590 -11.210 1.00 0.00 O ATOM 1112 CB SER A 71 -5.057 0.027 -12.465 1.00 0.00 C ATOM 1113 OG SER A 71 -4.839 -1.274 -12.984 1.00 0.00 O ATOM 0 H SER A 71 -5.601 -1.000 -10.230 1.00 0.00 H new ATOM 0 HA SER A 71 -3.179 0.084 -11.415 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.116 0.161 -12.243 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.792 0.771 -13.216 1.00 0.00 H new ATOM 0 HG SER A 71 -5.377 -1.921 -12.481 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.327 1.946 -9.831 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.557 3.295 -9.329 1.00 0.00 C ATOM 1121 C LEU A 72 -4.715 3.597 -8.087 1.00 0.00 C ATOM 1122 O LEU A 72 -3.838 4.461 -8.116 1.00 0.00 O ATOM 1123 CB LEU A 72 -7.046 3.485 -9.013 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.546 4.936 -8.957 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.988 5.661 -7.741 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.184 5.682 -10.234 1.00 0.00 C ATOM 0 H LEU A 72 -5.938 1.233 -9.432 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.253 3.994 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.627 2.951 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.256 3.013 -8.053 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.632 4.911 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.358 6.686 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.306 5.148 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.899 5.669 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.548 6.708 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.101 5.688 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.643 5.185 -11.088 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.979 2.870 -7.003 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.271 3.084 -5.741 1.00 0.00 C ATOM 1140 C VAL A 73 -2.843 2.542 -5.754 1.00 0.00 C ATOM 1141 O VAL A 73 -1.886 3.301 -5.608 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.033 2.449 -4.562 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.339 2.762 -3.245 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.474 2.931 -4.539 1.00 0.00 C ATOM 0 H VAL A 73 -5.678 2.128 -6.973 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.219 4.166 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.036 1.367 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.892 2.305 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.324 2.364 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.302 3.842 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.998 2.473 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.493 4.015 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.966 2.651 -5.470 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.705 1.229 -5.927 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.391 0.591 -5.930 1.00 0.00 C ATOM 1156 C GLU A 74 -0.448 1.263 -6.922 1.00 0.00 C ATOM 1157 O GLU A 74 0.709 1.539 -6.601 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.522 -0.902 -6.248 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.212 -1.671 -6.153 1.00 0.00 C ATOM 1160 CD GLU A 74 0.659 -1.508 -7.384 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.291 -2.049 -8.448 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.709 -0.839 -7.285 1.00 0.00 O ATOM 0 H GLU A 74 -3.486 0.587 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.964 0.704 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.244 -1.347 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.926 -1.015 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.340 -1.332 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.428 -2.729 -6.004 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.944 1.528 -8.124 1.00 0.00 N ATOM 1170 CA LYS A 75 -0.134 2.166 -9.153 1.00 0.00 C ATOM 1171 C LYS A 75 0.261 3.581 -8.737 1.00 0.00 C ATOM 1172 O LYS A 75 1.394 4.004 -8.956 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.889 2.201 -10.482 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.028 2.617 -11.663 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.827 2.654 -12.959 1.00 0.00 C ATOM 1176 CE LYS A 75 -1.184 1.256 -13.439 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.025 0.464 -13.795 1.00 0.00 N ATOM 0 H LYS A 75 -1.899 1.312 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 75 0.775 1.578 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.307 1.214 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.728 2.891 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.401 3.601 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.805 1.922 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.739 3.231 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.249 3.167 -13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.742 0.736 -12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.840 1.327 -14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.251 -0.343 -14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.693 1.066 -14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.479 0.114 -12.927 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.679 4.307 -8.132 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.418 5.676 -7.688 1.00 0.00 C ATOM 1193 C TYR A 76 0.756 5.726 -6.712 1.00 0.00 C ATOM 1194 O TYR A 76 1.554 6.662 -6.738 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.669 6.268 -7.033 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.501 7.699 -6.572 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.409 8.740 -7.489 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.437 8.011 -5.219 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.258 10.048 -7.071 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.285 9.318 -4.794 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.196 10.332 -5.724 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.045 11.634 -5.304 1.00 0.00 O ATOM 0 H TYR A 76 -1.623 3.972 -7.939 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.157 6.269 -8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.496 6.220 -7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.946 5.651 -6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.456 8.522 -8.546 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.507 7.219 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.189 10.845 -7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.236 9.543 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.501 12.235 -5.930 1.00 0.00 H new ATOM 1212 N ILE A 77 0.857 4.715 -5.855 1.00 0.00 N ATOM 1213 CA ILE A 77 1.934 4.650 -4.872 1.00 0.00 C ATOM 1214 C ILE A 77 3.289 4.459 -5.547 1.00 0.00 C ATOM 1215 O ILE A 77 4.223 5.231 -5.319 1.00 0.00 O ATOM 1216 CB ILE A 77 1.705 3.502 -3.868 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.340 3.652 -3.193 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.818 3.473 -2.828 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -0.033 2.480 -2.310 1.00 0.00 C ATOM 0 H ILE A 77 0.207 3.930 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 77 1.932 5.600 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 77 1.720 2.557 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.339 4.562 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.424 3.775 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.640 2.657 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.776 3.323 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.835 4.419 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.012 2.657 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.065 1.569 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.709 2.369 -1.520 1.00 0.00 H new ATOM 1231 N GLU A 78 3.389 3.426 -6.378 1.00 0.00 N ATOM 1232 CA GLU A 78 4.629 3.125 -7.084 1.00 0.00 C ATOM 1233 C GLU A 78 5.088 4.307 -7.932 1.00 0.00 C ATOM 1234 O GLU A 78 6.237 4.732 -7.847 1.00 0.00 O ATOM 1235 CB GLU A 78 4.444 1.890 -7.970 1.00 0.00 C ATOM 1236 CG GLU A 78 5.711 1.464 -8.696 1.00 0.00 C ATOM 1237 CD GLU A 78 5.489 0.265 -9.598 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.955 0.451 -10.711 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.850 -0.859 -9.190 1.00 0.00 O ATOM 0 H GLU A 78 2.624 2.782 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 78 5.398 2.925 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.092 1.062 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.666 2.094 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.083 2.298 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.483 1.226 -7.964 1.00 0.00 H new ATOM 1246 N GLU A 79 4.181 4.840 -8.742 1.00 0.00 N ATOM 1247 CA GLU A 79 4.499 5.967 -9.614 1.00 0.00 C ATOM 1248 C GLU A 79 5.087 7.140 -8.834 1.00 0.00 C ATOM 1249 O GLU A 79 6.159 7.641 -9.171 1.00 0.00 O ATOM 1250 CB GLU A 79 3.249 6.425 -10.369 1.00 0.00 C ATOM 1251 CG GLU A 79 2.735 5.407 -11.375 1.00 0.00 C ATOM 1252 CD GLU A 79 1.511 5.895 -12.124 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.399 5.819 -11.560 1.00 0.00 O ATOM 1254 OE2 GLU A 79 1.665 6.357 -13.275 1.00 0.00 O ATOM 0 H GLU A 79 3.218 4.510 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 79 5.250 5.625 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.460 6.642 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.471 7.357 -10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.525 5.176 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.493 4.479 -10.856 1.00 0.00 H new ATOM 1261 N GLN A 80 4.387 7.569 -7.788 1.00 0.00 N ATOM 1262 CA GLN A 80 4.833 8.697 -6.974 1.00 0.00 C ATOM 1263 C GLN A 80 6.214 8.459 -6.370 1.00 0.00 C ATOM 1264 O GLN A 80 6.974 9.405 -6.158 1.00 0.00 O ATOM 1265 CB GLN A 80 3.820 8.983 -5.863 1.00 0.00 C ATOM 1266 CG GLN A 80 2.502 9.543 -6.370 1.00 0.00 C ATOM 1267 CD GLN A 80 2.677 10.834 -7.147 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.648 11.924 -6.577 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.860 10.715 -8.458 1.00 0.00 N ATOM 0 H GLN A 80 3.507 7.152 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 80 4.906 9.562 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.626 8.062 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.257 9.689 -5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.018 8.803 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.837 9.719 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.877 9.791 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.983 11.548 -9.033 1.00 0.00 H new ATOM 1278 N LEU A 81 6.543 7.200 -6.095 1.00 0.00 N ATOM 1279 CA LEU A 81 7.838 6.869 -5.509 1.00 0.00 C ATOM 1280 C LEU A 81 8.933 6.896 -6.567 1.00 0.00 C ATOM 1281 O LEU A 81 10.055 7.338 -6.312 1.00 0.00 O ATOM 1282 CB LEU A 81 7.788 5.491 -4.846 1.00 0.00 C ATOM 1283 CG LEU A 81 6.963 5.417 -3.560 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.863 3.979 -3.075 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.573 6.301 -2.483 1.00 0.00 C ATOM 0 H LEU A 81 5.936 6.398 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 81 8.068 7.619 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.382 4.776 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.807 5.175 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 81 5.958 5.780 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.273 3.944 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.382 3.370 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.862 3.591 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.973 6.236 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.589 5.968 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.595 7.334 -2.830 1.00 0.00 H new ATOM 1297 N LEU A 82 8.590 6.427 -7.757 1.00 0.00 N ATOM 1298 CA LEU A 82 9.529 6.369 -8.867 1.00 0.00 C ATOM 1299 C LEU A 82 9.894 7.767 -9.357 1.00 0.00 C ATOM 1300 O LEU A 82 10.940 7.960 -9.978 1.00 0.00 O ATOM 1301 CB LEU A 82 8.936 5.538 -10.009 1.00 0.00 C ATOM 1302 CG LEU A 82 8.785 4.025 -9.748 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.769 3.242 -10.603 1.00 0.00 C ATOM 1304 CD2 LEU A 82 8.985 3.674 -8.279 1.00 0.00 C ATOM 0 H LEU A 82 7.658 6.078 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 82 10.444 5.892 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.954 5.943 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.563 5.672 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 82 7.765 3.751 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.652 2.176 -10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.575 3.442 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.787 3.546 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.869 2.599 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.985 3.974 -7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.244 4.198 -7.676 1.00 0.00 H new ATOM 1316 N GLN A 83 9.026 8.738 -9.081 1.00 0.00 N ATOM 1317 CA GLN A 83 9.265 10.119 -9.491 1.00 0.00 C ATOM 1318 C GLN A 83 10.627 10.605 -9.002 1.00 0.00 C ATOM 1319 O GLN A 83 11.171 11.580 -9.521 1.00 0.00 O ATOM 1320 CB GLN A 83 8.165 11.037 -8.951 1.00 0.00 C ATOM 1321 CG GLN A 83 6.788 10.745 -9.523 1.00 0.00 C ATOM 1322 CD GLN A 83 6.717 10.966 -11.020 1.00 0.00 C ATOM 1323 OE1 GLN A 83 7.421 11.814 -11.569 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.863 10.201 -11.690 1.00 0.00 N ATOM 0 H GLN A 83 8.152 8.594 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 83 9.253 10.151 -10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.125 10.942 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.428 12.072 -9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.518 9.713 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.052 11.381 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.299 9.511 -11.194 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.771 10.304 -12.701 1.00 0.00 H new ATOM 1333 N ARG A 84 11.172 9.921 -7.998 1.00 0.00 N ATOM 1334 CA ARG A 84 12.470 10.284 -7.440 1.00 0.00 C ATOM 1335 C ARG A 84 13.449 9.116 -7.524 1.00 0.00 C ATOM 1336 O ARG A 84 14.657 9.316 -7.656 1.00 0.00 O ATOM 1337 CB ARG A 84 12.312 10.730 -5.985 1.00 0.00 C ATOM 1338 CG ARG A 84 13.597 11.251 -5.363 1.00 0.00 C ATOM 1339 CD ARG A 84 13.364 11.753 -3.948 1.00 0.00 C ATOM 1340 NE ARG A 84 14.581 12.298 -3.350 1.00 0.00 N ATOM 1341 CZ ARG A 84 14.587 13.081 -2.275 1.00 0.00 C ATOM 1342 NH1 ARG A 84 13.445 13.420 -1.691 1.00 0.00 N ATOM 1343 NH2 ARG A 84 15.736 13.526 -1.784 1.00 0.00 N ATOM 0 H ARG A 84 10.734 9.113 -7.555 1.00 0.00 H new ATOM 0 HA ARG A 84 12.872 11.110 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.552 11.509 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.947 9.890 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.345 10.458 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.998 12.058 -5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.591 12.521 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.992 10.935 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 84 15.476 12.065 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.560 13.080 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.452 14.021 -0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.616 13.268 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.740 14.127 -0.960 1.00 0.00 H new ATOM 1357 N ILE A 85 12.921 7.899 -7.450 1.00 0.00 N ATOM 1358 CA ILE A 85 13.749 6.699 -7.517 1.00 0.00 C ATOM 1359 C ILE A 85 13.441 5.889 -8.778 1.00 0.00 C ATOM 1360 O ILE A 85 12.499 5.098 -8.798 1.00 0.00 O ATOM 1361 CB ILE A 85 13.538 5.803 -6.280 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.675 6.627 -4.997 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.533 4.651 -6.286 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.243 5.885 -3.750 1.00 0.00 C ATOM 0 H ILE A 85 11.923 7.717 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 85 14.787 7.030 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 85 12.531 5.388 -6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.714 6.937 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.080 7.535 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.372 4.027 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.392 4.053 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.548 5.047 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.368 6.531 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.195 5.598 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.854 4.991 -3.629 1.00 0.00 H new ATOM 1376 N PRO A 86 14.232 6.078 -9.855 1.00 0.00 N ATOM 1377 CA PRO A 86 14.026 5.362 -11.117 1.00 0.00 C ATOM 1378 C PRO A 86 14.488 3.911 -11.051 1.00 0.00 C ATOM 1379 O PRO A 86 14.218 3.121 -11.957 1.00 0.00 O ATOM 1380 CB PRO A 86 14.877 6.154 -12.110 1.00 0.00 C ATOM 1381 CG PRO A 86 15.974 6.732 -11.286 1.00 0.00 C ATOM 1382 CD PRO A 86 15.381 7.005 -9.928 1.00 0.00 C ATOM 0 HA PRO A 86 12.971 5.304 -11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.269 5.511 -12.897 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.294 6.935 -12.598 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.812 6.039 -11.213 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.357 7.649 -11.735 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.100 6.815 -9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.065 8.043 -9.831 1.00 0.00 H new ATOM 1390 N GLU A 87 15.183 3.570 -9.976 1.00 0.00 N ATOM 1391 CA GLU A 87 15.682 2.211 -9.785 1.00 0.00 C ATOM 1392 C GLU A 87 14.937 1.521 -8.648 1.00 0.00 C ATOM 1393 O GLU A 87 15.387 0.506 -8.117 1.00 0.00 O ATOM 1394 CB GLU A 87 17.184 2.227 -9.494 1.00 0.00 C ATOM 1395 CG GLU A 87 17.550 2.975 -8.223 1.00 0.00 C ATOM 1396 CD GLU A 87 19.034 2.907 -7.915 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.454 1.954 -7.225 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.775 3.807 -8.362 1.00 0.00 O ATOM 0 H GLU A 87 15.416 4.214 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 87 15.509 1.653 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.542 1.200 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.704 2.683 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.250 4.018 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.989 2.559 -7.386 1.00 0.00 H new ATOM 1405 N PHE A 88 13.790 2.084 -8.286 1.00 0.00 N ATOM 1406 CA PHE A 88 12.969 1.541 -7.211 1.00 0.00 C ATOM 1407 C PHE A 88 12.503 0.124 -7.528 1.00 0.00 C ATOM 1408 O PHE A 88 12.291 -0.228 -8.688 1.00 0.00 O ATOM 1409 CB PHE A 88 11.755 2.436 -6.976 1.00 0.00 C ATOM 1410 CG PHE A 88 11.051 2.167 -5.676 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.600 2.595 -4.478 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.842 1.490 -5.651 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.957 2.351 -3.279 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.194 1.244 -4.456 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.753 1.676 -3.269 1.00 0.00 C ATOM 0 H PHE A 88 13.406 2.921 -8.724 1.00 0.00 H new ATOM 0 HA PHE A 88 13.581 1.507 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.073 3.478 -6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.050 2.300 -7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.541 3.125 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.401 1.151 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.396 2.688 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.252 0.715 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.248 1.486 -2.333 1.00 0.00 H new ATOM 1425 N ASN A 89 12.348 -0.681 -6.483 1.00 0.00 N ATOM 1426 CA ASN A 89 11.898 -2.058 -6.631 1.00 0.00 C ATOM 1427 C ASN A 89 10.795 -2.370 -5.623 1.00 0.00 C ATOM 1428 O ASN A 89 11.049 -2.951 -4.567 1.00 0.00 O ATOM 1429 CB ASN A 89 13.071 -3.025 -6.451 1.00 0.00 C ATOM 1430 CG ASN A 89 13.958 -2.648 -5.280 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.901 -1.870 -5.428 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.663 -3.199 -4.108 1.00 0.00 N ATOM 0 H ASN A 89 12.529 -0.400 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 89 11.495 -2.183 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.687 -4.034 -6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.667 -3.043 -7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.227 -2.982 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.872 -3.839 -4.030 1.00 0.00 H new ATOM 1439 N MET A 90 9.570 -1.968 -5.951 1.00 0.00 N ATOM 1440 CA MET A 90 8.430 -2.196 -5.071 1.00 0.00 C ATOM 1441 C MET A 90 8.186 -3.688 -4.863 1.00 0.00 C ATOM 1442 O MET A 90 7.650 -4.100 -3.835 1.00 0.00 O ATOM 1443 CB MET A 90 7.172 -1.537 -5.642 1.00 0.00 C ATOM 1444 CG MET A 90 6.016 -1.488 -4.653 1.00 0.00 C ATOM 1445 SD MET A 90 4.584 -0.599 -5.295 1.00 0.00 S ATOM 1446 CE MET A 90 3.528 -0.580 -3.846 1.00 0.00 C ATOM 0 H MET A 90 9.343 -1.483 -6.819 1.00 0.00 H new ATOM 0 HA MET A 90 8.660 -1.747 -4.105 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.414 -0.522 -5.958 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.857 -2.082 -6.532 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.721 -2.505 -4.395 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.351 -1.011 -3.732 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.598 -0.063 -4.081 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.308 -1.604 -3.543 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.036 -0.062 -3.032 1.00 0.00 H new ATOM 1456 N ALA A 91 8.581 -4.491 -5.847 1.00 0.00 N ATOM 1457 CA ALA A 91 8.404 -5.938 -5.772 1.00 0.00 C ATOM 1458 C ALA A 91 9.183 -6.528 -4.600 1.00 0.00 C ATOM 1459 O ALA A 91 8.608 -7.168 -3.718 1.00 0.00 O ATOM 1460 CB ALA A 91 8.839 -6.590 -7.076 1.00 0.00 C ATOM 0 H ALA A 91 9.025 -4.165 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 91 7.345 -6.141 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.702 -7.669 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.237 -6.200 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.890 -6.369 -7.260 1.00 0.00 H new ATOM 1466 N ALA A 92 10.494 -6.306 -4.596 1.00 0.00 N ATOM 1467 CA ALA A 92 11.352 -6.815 -3.534 1.00 0.00 C ATOM 1468 C ALA A 92 11.102 -6.071 -2.227 1.00 0.00 C ATOM 1469 O ALA A 92 11.342 -6.604 -1.143 1.00 0.00 O ATOM 1470 CB ALA A 92 12.813 -6.703 -3.938 1.00 0.00 C ATOM 0 H ALA A 92 10.984 -5.777 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 92 11.112 -7.866 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.443 -7.087 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.986 -7.284 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.060 -5.658 -4.125 1.00 0.00 H new ATOM 1476 N PHE A 93 10.622 -4.837 -2.340 1.00 0.00 N ATOM 1477 CA PHE A 93 10.337 -4.015 -1.170 1.00 0.00 C ATOM 1478 C PHE A 93 9.203 -4.616 -0.346 1.00 0.00 C ATOM 1479 O PHE A 93 9.324 -4.776 0.868 1.00 0.00 O ATOM 1480 CB PHE A 93 9.980 -2.589 -1.597 1.00 0.00 C ATOM 1481 CG PHE A 93 9.600 -1.692 -0.453 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.546 -1.291 0.476 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.293 -1.253 -0.305 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.198 -0.467 1.530 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.939 -0.430 0.747 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.892 -0.036 1.665 1.00 0.00 C ATOM 0 H PHE A 93 10.422 -4.384 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 93 11.233 -3.985 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.830 -2.153 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.153 -2.628 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.568 -1.626 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.543 -1.558 -1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.946 -0.161 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.918 -0.095 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.617 0.608 2.487 1.00 0.00 H new ATOM 1496 N THR A 94 8.104 -4.952 -1.015 1.00 0.00 N ATOM 1497 CA THR A 94 6.946 -5.535 -0.344 1.00 0.00 C ATOM 1498 C THR A 94 7.274 -6.911 0.225 1.00 0.00 C ATOM 1499 O THR A 94 6.877 -7.240 1.343 1.00 0.00 O ATOM 1500 CB THR A 94 5.745 -5.662 -1.301 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.110 -6.439 -2.449 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.257 -4.291 -1.744 1.00 0.00 C ATOM 0 H THR A 94 7.991 -4.831 -2.021 1.00 0.00 H new ATOM 0 HA THR A 94 6.682 -4.861 0.471 1.00 0.00 H new ATOM 0 HB THR A 94 4.937 -6.162 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.083 -6.417 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.409 -4.407 -2.419 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.950 -3.715 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.062 -3.767 -2.260 1.00 0.00 H new ATOM 1510 N THR A 95 7.999 -7.710 -0.553 1.00 0.00 N ATOM 1511 CA THR A 95 8.382 -9.053 -0.130 1.00 0.00 C ATOM 1512 C THR A 95 9.138 -9.017 1.196 1.00 0.00 C ATOM 1513 O THR A 95 8.880 -9.819 2.092 1.00 0.00 O ATOM 1514 CB THR A 95 9.260 -9.743 -1.193 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.586 -9.743 -2.458 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.585 -11.173 -0.789 1.00 0.00 C ATOM 0 H THR A 95 8.333 -7.450 -1.481 1.00 0.00 H new ATOM 0 HA THR A 95 7.461 -9.623 -0.003 1.00 0.00 H new ATOM 0 HB THR A 95 10.194 -9.186 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.647 -8.852 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.205 -11.636 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.123 -11.170 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.660 -11.739 -0.680 1.00 0.00 H new ATOM 1524 N THR A 96 10.081 -8.089 1.305 1.00 0.00 N ATOM 1525 CA THR A 96 10.874 -7.936 2.519 1.00 0.00 C ATOM 1526 C THR A 96 10.082 -7.212 3.607 1.00 0.00 C ATOM 1527 O THR A 96 10.306 -7.425 4.797 1.00 0.00 O ATOM 1528 CB THR A 96 12.173 -7.155 2.239 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.891 -7.771 1.163 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.057 -7.105 3.478 1.00 0.00 C ATOM 0 H THR A 96 10.316 -7.428 0.564 1.00 0.00 H new ATOM 0 HA THR A 96 11.125 -8.939 2.865 1.00 0.00 H new ATOM 0 HB THR A 96 11.904 -6.135 1.963 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.503 -7.491 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.967 -6.548 3.254 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.520 -6.611 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.317 -8.119 3.780 1.00 0.00 H new ATOM 1538 N LEU A 97 9.160 -6.354 3.181 1.00 0.00 N ATOM 1539 CA LEU A 97 8.339 -5.571 4.103 1.00 0.00 C ATOM 1540 C LEU A 97 7.568 -6.455 5.084 1.00 0.00 C ATOM 1541 O LEU A 97 7.608 -6.228 6.293 1.00 0.00 O ATOM 1542 CB LEU A 97 7.358 -4.699 3.314 1.00 0.00 C ATOM 1543 CG LEU A 97 7.069 -3.323 3.920 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.185 -2.510 2.989 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.413 -3.461 5.286 1.00 0.00 C ATOM 0 H LEU A 97 8.961 -6.182 2.196 1.00 0.00 H new ATOM 0 HA LEU A 97 9.013 -4.942 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.752 -4.559 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.416 -5.239 3.216 1.00 0.00 H new ATOM 0 HG LEU A 97 8.017 -2.800 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.988 -1.534 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.689 -2.378 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.242 -3.034 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.217 -2.471 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.474 -4.005 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.078 -4.007 5.955 1.00 0.00 H new ATOM 1557 N GLN A 98 6.865 -7.458 4.561 1.00 0.00 N ATOM 1558 CA GLN A 98 6.068 -8.353 5.398 1.00 0.00 C ATOM 1559 C GLN A 98 6.884 -8.931 6.551 1.00 0.00 C ATOM 1560 O GLN A 98 6.357 -9.143 7.644 1.00 0.00 O ATOM 1561 CB GLN A 98 5.468 -9.485 4.561 1.00 0.00 C ATOM 1562 CG GLN A 98 6.504 -10.330 3.841 1.00 0.00 C ATOM 1563 CD GLN A 98 5.891 -11.508 3.107 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.862 -12.044 3.520 1.00 0.00 O ATOM 1565 NE2 GLN A 98 6.524 -11.918 2.015 1.00 0.00 N ATOM 0 H GLN A 98 6.831 -7.671 3.564 1.00 0.00 H new ATOM 0 HA GLN A 98 5.260 -7.759 5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.875 -10.129 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.786 -9.058 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.045 -9.706 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.233 -10.697 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.374 -11.444 1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.161 -12.707 1.481 1.00 0.00 H new ATOM 1574 N HIS A 99 8.163 -9.186 6.309 1.00 0.00 N ATOM 1575 CA HIS A 99 9.033 -9.735 7.341 1.00 0.00 C ATOM 1576 C HIS A 99 9.559 -8.627 8.249 1.00 0.00 C ATOM 1577 O HIS A 99 9.599 -8.774 9.473 1.00 0.00 O ATOM 1578 CB HIS A 99 10.204 -10.490 6.710 1.00 0.00 C ATOM 1579 CG HIS A 99 9.779 -11.650 5.865 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.346 -12.847 6.394 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.723 -11.792 4.519 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.040 -13.676 5.411 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.261 -13.060 4.265 1.00 0.00 N ATOM 0 H HIS A 99 8.620 -9.023 5.412 1.00 0.00 H new ATOM 0 HA HIS A 99 8.447 -10.431 7.941 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.785 -9.799 6.099 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.863 -10.848 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.991 -11.048 3.784 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.672 -14.685 5.526 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.112 -13.461 3.339 1.00 0.00 H new ATOM 1592 N HIS A 100 9.937 -7.509 7.642 1.00 0.00 N ATOM 1593 CA HIS A 100 10.469 -6.383 8.394 1.00 0.00 C ATOM 1594 C HIS A 100 9.363 -5.712 9.198 1.00 0.00 C ATOM 1595 O HIS A 100 9.617 -4.797 9.982 1.00 0.00 O ATOM 1596 CB HIS A 100 11.127 -5.373 7.453 1.00 0.00 C ATOM 1597 CG HIS A 100 12.166 -4.527 8.122 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.898 -3.285 8.655 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.483 -4.752 8.342 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.004 -2.783 9.176 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.981 -3.654 9.000 1.00 0.00 N ATOM 0 H HIS A 100 9.885 -7.359 6.634 1.00 0.00 H new ATOM 0 HA HIS A 100 11.225 -6.757 9.085 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.585 -5.908 6.621 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.358 -4.726 7.031 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.039 -5.632 8.054 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.094 -1.823 9.663 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.947 -3.531 9.303 1.00 0.00 H new ATOM 1610 N LYS A 101 8.135 -6.179 8.997 1.00 0.00 N ATOM 1611 CA LYS A 101 6.984 -5.639 9.705 1.00 0.00 C ATOM 1612 C LYS A 101 7.157 -5.821 11.209 1.00 0.00 C ATOM 1613 O LYS A 101 6.480 -5.171 12.007 1.00 0.00 O ATOM 1614 CB LYS A 101 5.701 -6.329 9.235 1.00 0.00 C ATOM 1615 CG LYS A 101 4.436 -5.762 9.859 1.00 0.00 C ATOM 1616 CD LYS A 101 3.195 -6.501 9.381 1.00 0.00 C ATOM 1617 CE LYS A 101 3.173 -7.938 9.878 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.958 -8.666 9.419 1.00 0.00 N ATOM 0 H LYS A 101 7.913 -6.933 8.347 1.00 0.00 H new ATOM 0 HA LYS A 101 6.909 -4.574 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.630 -6.244 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.765 -7.392 9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.504 -5.829 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.349 -4.705 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.304 -5.981 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.162 -6.492 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.063 -8.458 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.211 -7.946 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.981 -9.641 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.109 -8.185 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.934 -8.681 8.379 1.00 0.00 H new ATOM 1632 N ASP A 102 8.074 -6.708 11.588 1.00 0.00 N ATOM 1633 CA ASP A 102 8.346 -6.979 12.996 1.00 0.00 C ATOM 1634 C ASP A 102 8.798 -5.713 13.725 1.00 0.00 C ATOM 1635 O ASP A 102 8.837 -5.676 14.954 1.00 0.00 O ATOM 1636 CB ASP A 102 9.412 -8.069 13.130 1.00 0.00 C ATOM 1637 CG ASP A 102 9.666 -8.458 14.574 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.974 -9.368 15.073 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.557 -7.850 15.204 1.00 0.00 O ATOM 0 H ASP A 102 8.642 -7.252 10.938 1.00 0.00 H new ATOM 0 HA ASP A 102 7.420 -7.325 13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.099 -8.950 12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.342 -7.720 12.682 1.00 0.00 H new ATOM 1644 N GLU A 103 9.138 -4.678 12.959 1.00 0.00 N ATOM 1645 CA GLU A 103 9.588 -3.415 13.536 1.00 0.00 C ATOM 1646 C GLU A 103 8.819 -2.236 12.942 1.00 0.00 C ATOM 1647 O GLU A 103 8.583 -1.234 13.617 1.00 0.00 O ATOM 1648 CB GLU A 103 11.087 -3.227 13.302 1.00 0.00 C ATOM 1649 CG GLU A 103 11.651 -1.967 13.938 1.00 0.00 C ATOM 1650 CD GLU A 103 13.137 -1.802 13.691 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.934 -2.418 14.432 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.506 -1.058 12.759 1.00 0.00 O ATOM 0 H GLU A 103 9.110 -4.690 11.939 1.00 0.00 H new ATOM 0 HA GLU A 103 9.395 -3.449 14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.619 -4.092 13.697 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.278 -3.199 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.123 -1.099 13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.466 -1.993 15.012 1.00 0.00 H new ATOM 1659 N VAL A 104 8.433 -2.364 11.676 1.00 0.00 N ATOM 1660 CA VAL A 104 7.691 -1.312 10.990 1.00 0.00 C ATOM 1661 C VAL A 104 6.284 -1.168 11.561 1.00 0.00 C ATOM 1662 O VAL A 104 5.684 -2.146 12.008 1.00 0.00 O ATOM 1663 CB VAL A 104 7.597 -1.590 9.477 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.826 -0.487 8.767 1.00 0.00 C ATOM 1665 CG2 VAL A 104 8.987 -1.743 8.879 1.00 0.00 C ATOM 0 H VAL A 104 8.622 -3.187 11.104 1.00 0.00 H new ATOM 0 HA VAL A 104 8.238 -0.382 11.148 1.00 0.00 H new ATOM 0 HB VAL A 104 7.053 -2.524 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.774 -0.708 7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.817 -0.428 9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.334 0.466 8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.904 -1.939 7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.554 -0.825 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.501 -2.574 9.361 1.00 0.00 H new ATOM 1675 N ALA A 105 5.766 0.057 11.545 1.00 0.00 N ATOM 1676 CA ALA A 105 4.430 0.331 12.058 1.00 0.00 C ATOM 1677 C ALA A 105 3.383 -0.522 11.351 1.00 0.00 C ATOM 1678 O ALA A 105 3.062 -0.291 10.184 1.00 0.00 O ATOM 1679 CB ALA A 105 4.099 1.809 11.910 1.00 0.00 C ATOM 0 H ALA A 105 6.253 0.876 11.181 1.00 0.00 H new ATOM 0 HA ALA A 105 4.415 0.072 13.117 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.098 1.998 12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.823 2.402 12.469 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.139 2.087 10.857 1.00 0.00 H new ATOM 1685 N GLY A 106 2.858 -1.511 12.066 1.00 0.00 N ATOM 1686 CA GLY A 106 1.855 -2.391 11.498 1.00 0.00 C ATOM 1687 C GLY A 106 0.575 -1.662 11.141 1.00 0.00 C ATOM 1688 O GLY A 106 -0.126 -2.046 10.207 1.00 0.00 O ATOM 0 H GLY A 106 3.111 -1.719 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.259 -2.867 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.630 -3.186 12.209 1.00 0.00 H new ATOM 1692 N ASP A 107 0.269 -0.607 11.891 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.940 0.176 11.658 1.00 0.00 C ATOM 1694 C ASP A 107 -0.901 0.870 10.299 1.00 0.00 C ATOM 1695 O ASP A 107 -1.906 0.917 9.590 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.117 1.212 12.767 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.118 0.584 14.147 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.202 0.179 14.615 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -0.033 0.498 14.759 1.00 0.00 O ATOM 0 H ASP A 107 0.843 -0.275 12.666 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.788 -0.509 11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.315 1.947 12.706 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.053 1.748 12.614 1.00 0.00 H new ATOM 1704 N ILE A 108 0.261 1.408 9.939 1.00 0.00 N ATOM 1705 CA ILE A 108 0.413 2.103 8.664 1.00 0.00 C ATOM 1706 C ILE A 108 0.350 1.125 7.493 1.00 0.00 C ATOM 1707 O ILE A 108 -0.414 1.323 6.547 1.00 0.00 O ATOM 1708 CB ILE A 108 1.750 2.873 8.601 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.788 3.974 9.665 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.971 3.456 7.211 1.00 0.00 C ATOM 1711 CD1 ILE A 108 0.821 5.104 9.402 1.00 0.00 C ATOM 0 H ILE A 108 1.107 1.377 10.508 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.412 2.811 8.589 1.00 0.00 H new ATOM 0 HB ILE A 108 2.559 2.172 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.565 3.535 10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.799 4.378 9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.919 3.994 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.994 2.650 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.158 4.142 6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.904 5.846 10.196 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.057 5.569 8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.196 4.713 9.375 1.00 0.00 H new ATOM 1723 N PHE A 109 1.139 0.059 7.573 1.00 0.00 N ATOM 1724 CA PHE A 109 1.170 -0.943 6.516 1.00 0.00 C ATOM 1725 C PHE A 109 -0.161 -1.675 6.413 1.00 0.00 C ATOM 1726 O PHE A 109 -0.534 -2.132 5.336 1.00 0.00 O ATOM 1727 CB PHE A 109 2.306 -1.947 6.735 1.00 0.00 C ATOM 1728 CG PHE A 109 2.430 -2.953 5.621 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.444 -2.541 4.295 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.524 -4.308 5.897 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.549 -3.460 3.268 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.629 -5.231 4.874 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.642 -4.807 3.558 1.00 0.00 C ATOM 0 H PHE A 109 1.763 -0.132 8.356 1.00 0.00 H new ATOM 0 HA PHE A 109 1.350 -0.418 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.247 -1.406 6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.141 -2.474 7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.372 -1.489 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.515 -4.646 6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.558 -3.125 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.701 -6.284 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.725 -5.528 2.758 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.877 -1.774 7.533 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.164 -2.467 7.562 1.00 0.00 C ATOM 1745 C ASP A 110 -3.052 -2.018 6.408 1.00 0.00 C ATOM 1746 O ASP A 110 -3.886 -2.783 5.924 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.878 -2.212 8.891 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.210 -2.933 8.979 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -5.219 -2.380 8.493 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.242 -4.052 9.534 1.00 0.00 O ATOM 0 H ASP A 110 -0.588 -1.384 8.430 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.971 -3.535 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.238 -2.535 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.039 -1.141 9.014 1.00 0.00 H new ATOM 1755 N MET A 111 -2.872 -0.776 5.974 1.00 0.00 N ATOM 1756 CA MET A 111 -3.646 -0.245 4.860 1.00 0.00 C ATOM 1757 C MET A 111 -3.173 -0.870 3.552 1.00 0.00 C ATOM 1758 O MET A 111 -3.965 -1.412 2.781 1.00 0.00 O ATOM 1759 CB MET A 111 -3.504 1.276 4.791 1.00 0.00 C ATOM 1760 CG MET A 111 -4.229 1.905 3.611 1.00 0.00 C ATOM 1761 SD MET A 111 -3.872 3.663 3.430 1.00 0.00 S ATOM 1762 CE MET A 111 -2.109 3.622 3.115 1.00 0.00 C ATOM 0 H MET A 111 -2.200 -0.121 6.375 1.00 0.00 H new ATOM 0 HA MET A 111 -4.696 -0.493 5.015 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.887 1.710 5.715 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.446 1.531 4.734 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.945 1.385 2.696 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.303 1.768 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.826 4.487 2.515 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.570 3.645 4.062 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.857 2.709 2.576 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.866 -0.799 3.326 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.256 -1.346 2.121 1.00 0.00 C ATOM 1774 C LEU A 112 -1.374 -2.865 2.093 1.00 0.00 C ATOM 1775 O LEU A 112 -1.327 -3.482 1.032 1.00 0.00 O ATOM 1776 CB LEU A 112 0.217 -0.938 2.044 1.00 0.00 C ATOM 1777 CG LEU A 112 0.477 0.570 2.024 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.971 0.849 2.038 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.173 1.212 0.807 1.00 0.00 C ATOM 0 H LEU A 112 -1.204 -0.364 3.968 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.787 -0.942 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.742 -1.369 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.652 -1.377 1.146 1.00 0.00 H new ATOM 0 HG LEU A 112 0.033 1.007 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.140 1.926 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.412 0.424 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.434 0.397 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.024 2.284 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.240 0.772 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.249 1.041 0.836 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.531 -3.458 3.272 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.644 -4.906 3.405 1.00 0.00 C ATOM 1793 C LEU A 113 -2.704 -5.462 2.462 1.00 0.00 C ATOM 1794 O LEU A 113 -2.628 -6.615 2.038 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.976 -5.277 4.852 1.00 0.00 C ATOM 1796 CG LEU A 113 -2.041 -6.779 5.146 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.726 -7.455 4.789 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.383 -7.017 6.608 1.00 0.00 C ATOM 0 H LEU A 113 -1.583 -2.953 4.156 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.685 -5.349 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.228 -4.828 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.936 -4.831 5.113 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.827 -7.216 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.794 -8.521 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.520 -7.313 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.080 -7.016 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.426 -8.089 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.618 -6.564 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.351 -6.569 6.833 1.00 0.00 H new ATOM 1810 N THR A 114 -3.694 -4.634 2.140 1.00 0.00 N ATOM 1811 CA THR A 114 -4.773 -5.041 1.247 1.00 0.00 C ATOM 1812 C THR A 114 -4.260 -5.357 -0.161 1.00 0.00 C ATOM 1813 O THR A 114 -5.048 -5.655 -1.059 1.00 0.00 O ATOM 1814 CB THR A 114 -5.855 -3.951 1.150 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.276 -2.723 0.696 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.523 -3.735 2.500 1.00 0.00 C ATOM 0 H THR A 114 -3.771 -3.677 2.485 1.00 0.00 H new ATOM 0 HA THR A 114 -5.204 -5.946 1.676 1.00 0.00 H new ATOM 0 HB THR A 114 -6.610 -4.280 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.823 -2.279 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.285 -2.960 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.988 -4.664 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.776 -3.425 3.230 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.941 -5.297 -0.350 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.344 -5.586 -1.651 1.00 0.00 C ATOM 1826 C PHE A 115 -2.573 -7.042 -2.041 1.00 0.00 C ATOM 1827 O PHE A 115 -2.753 -7.357 -3.218 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.837 -5.291 -1.639 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.477 -3.836 -1.809 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.223 -3.007 -2.635 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.618 -3.302 -1.145 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.884 -1.676 -2.792 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.960 -1.973 -1.302 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.208 -1.158 -2.125 1.00 0.00 C ATOM 0 H PHE A 115 -2.270 -5.052 0.378 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.826 -4.941 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.419 -5.647 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.362 -5.864 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.078 -3.406 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.210 -3.933 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.474 -1.041 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.816 -1.571 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.473 -0.118 -2.246 1.00 0.00 H new ATOM 1844 N THR A 116 -2.568 -7.928 -1.048 1.00 0.00 N ATOM 1845 CA THR A 116 -2.772 -9.352 -1.296 1.00 0.00 C ATOM 1846 C THR A 116 -3.741 -9.961 -0.288 1.00 0.00 C ATOM 1847 O THR A 116 -4.393 -10.966 -0.574 1.00 0.00 O ATOM 1848 CB THR A 116 -1.442 -10.129 -1.241 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.839 -9.981 0.049 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.482 -9.641 -2.315 1.00 0.00 C ATOM 0 H THR A 116 -2.425 -7.686 -0.067 1.00 0.00 H new ATOM 0 HA THR A 116 -3.196 -9.435 -2.297 1.00 0.00 H new ATOM 0 HB THR A 116 -1.657 -11.182 -1.422 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.004 -10.479 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.449 -10.205 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.931 -9.786 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.275 -8.582 -2.163 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.830 -9.355 0.891 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.721 -9.849 1.935 1.00 0.00 C ATOM 1860 C ASP A 117 -6.165 -9.440 1.653 1.00 0.00 C ATOM 1861 O ASP A 117 -6.636 -8.407 2.130 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.281 -9.324 3.305 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.909 -10.095 4.451 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -6.008 -9.709 4.897 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -4.298 -11.087 4.903 1.00 0.00 O ATOM 0 H ASP A 117 -3.298 -8.523 1.147 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.666 -10.938 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.195 -9.384 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.548 -8.271 3.390 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.859 -10.259 0.866 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.248 -9.992 0.503 1.00 0.00 C ATOM 1872 C PHE A 118 -9.132 -9.881 1.742 1.00 0.00 C ATOM 1873 O PHE A 118 -10.098 -9.117 1.759 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.772 -11.098 -0.417 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.170 -10.859 -0.919 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.401 -10.009 -1.988 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.251 -11.488 -0.323 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.684 -9.790 -2.453 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.537 -11.273 -0.783 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.753 -10.423 -1.850 1.00 0.00 C ATOM 0 H PHE A 118 -6.479 -11.117 0.466 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.282 -9.038 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.101 -11.196 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.746 -12.047 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.569 -9.512 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.087 -12.154 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.850 -9.124 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.371 -11.769 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.756 -10.254 -2.212 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.798 -10.647 2.776 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.565 -10.630 4.017 1.00 0.00 C ATOM 1892 C LEU A 119 -9.596 -9.229 4.619 1.00 0.00 C ATOM 1893 O LEU A 119 -10.623 -8.787 5.135 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.967 -11.616 5.024 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.889 -13.068 4.548 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -8.202 -13.935 5.593 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -10.278 -13.607 4.240 1.00 0.00 C ATOM 0 H LEU A 119 -8.003 -11.286 2.779 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.587 -10.930 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.963 -11.281 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.560 -11.582 5.938 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.299 -13.097 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.155 -14.964 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.192 -13.565 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.766 -13.898 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.201 -14.641 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.893 -13.563 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.737 -13.004 3.457 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.464 -8.538 4.548 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.355 -7.187 5.086 1.00 0.00 C ATOM 1911 C ALA A 120 -9.024 -6.171 4.166 1.00 0.00 C ATOM 1912 O ALA A 120 -9.524 -5.145 4.621 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.893 -6.824 5.300 1.00 0.00 C ATOM 0 H ALA A 120 -7.607 -8.892 4.122 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.871 -7.162 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.824 -5.813 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.443 -7.525 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.363 -6.873 4.349 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.028 -6.469 2.870 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.629 -5.584 1.878 1.00 0.00 C ATOM 1921 C PHE A 121 -11.136 -5.457 2.099 1.00 0.00 C ATOM 1922 O PHE A 121 -11.664 -4.351 2.256 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.343 -6.123 0.473 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.542 -5.121 -0.630 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.979 -3.856 -0.550 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.283 -5.448 -1.754 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.153 -2.939 -1.566 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.459 -4.534 -2.776 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.894 -3.279 -2.682 1.00 0.00 C ATOM 0 H PHE A 121 -8.620 -7.319 2.482 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.190 -4.592 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.315 -6.484 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.989 -6.981 0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.397 -3.585 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.728 -6.429 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.711 -1.957 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.038 -4.802 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.030 -2.563 -3.479 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.819 -6.596 2.129 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.261 -6.617 2.336 1.00 0.00 C ATOM 1941 C LYS A 122 -13.610 -6.082 3.720 1.00 0.00 C ATOM 1942 O LYS A 122 -14.523 -5.270 3.869 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.801 -8.038 2.168 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.311 -8.142 2.323 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.798 -9.560 2.072 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.303 -9.675 2.248 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.789 -11.056 1.978 1.00 0.00 N ATOM 0 H LYS A 122 -11.396 -7.517 2.012 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.726 -5.974 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.520 -8.410 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.324 -8.687 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.598 -7.830 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.798 -7.460 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.525 -9.865 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.298 -10.244 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.573 -9.387 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.802 -8.977 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.820 -11.093 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.554 -11.322 1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.333 -11.719 2.636 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.874 -6.539 4.727 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.103 -6.105 6.099 1.00 0.00 C ATOM 1963 C GLU A 123 -12.866 -4.605 6.236 1.00 0.00 C ATOM 1964 O GLU A 123 -13.467 -3.947 7.086 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.190 -6.868 7.061 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.435 -6.539 8.525 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.836 -6.903 8.978 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.750 -6.069 8.812 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.018 -8.024 9.500 1.00 0.00 O ATOM 0 H GLU A 123 -12.114 -7.210 4.618 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.141 -6.319 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.331 -7.938 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.151 -6.645 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.709 -7.071 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.270 -5.474 8.687 1.00 0.00 H new ATOM 1976 N MET A 124 -11.986 -4.069 5.394 1.00 0.00 N ATOM 1977 CA MET A 124 -11.673 -2.645 5.423 1.00 0.00 C ATOM 1978 C MET A 124 -12.893 -1.817 5.043 1.00 0.00 C ATOM 1979 O MET A 124 -13.238 -0.851 5.725 1.00 0.00 O ATOM 1980 CB MET A 124 -10.516 -2.332 4.472 1.00 0.00 C ATOM 1981 CG MET A 124 -10.130 -0.862 4.443 1.00 0.00 C ATOM 1982 SD MET A 124 -8.775 -0.520 3.302 1.00 0.00 S ATOM 1983 CE MET A 124 -9.508 -1.012 1.744 1.00 0.00 C ATOM 0 H MET A 124 -11.479 -4.599 4.685 1.00 0.00 H new ATOM 0 HA MET A 124 -11.377 -2.385 6.439 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.647 -2.921 4.765 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.790 -2.647 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.998 -0.268 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.843 -0.546 5.446 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.931 -0.591 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.507 -2.099 1.669 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.533 -0.646 1.693 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.547 -2.202 3.951 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.733 -1.489 3.484 1.00 0.00 C ATOM 1995 C PHE A 125 -15.912 -1.688 4.434 1.00 0.00 C ATOM 1996 O PHE A 125 -16.604 -0.730 4.783 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.114 -1.951 2.079 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.054 -1.675 1.053 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.626 -0.380 0.810 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.485 -2.712 0.334 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.648 -0.125 -0.132 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.508 -2.462 -0.610 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.088 -1.167 -0.843 1.00 0.00 C ATOM 0 H PHE A 125 -13.278 -3.000 3.375 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.491 -0.426 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.319 -3.021 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.037 -1.455 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.062 0.439 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.808 -3.727 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.322 0.889 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.073 -3.279 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.323 -0.970 -1.580 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.138 -2.933 4.848 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.238 -3.249 5.757 1.00 0.00 C ATOM 2015 C LEU A 126 -17.148 -2.424 7.036 1.00 0.00 C ATOM 2016 O LEU A 126 -18.131 -1.815 7.461 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.239 -4.742 6.098 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.103 -5.618 5.188 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.592 -5.577 3.755 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.136 -7.050 5.702 1.00 0.00 C ATOM 0 H LEU A 126 -15.576 -3.737 4.570 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.171 -2.999 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.213 -5.108 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.583 -4.863 7.125 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.119 -5.223 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.221 -6.207 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.622 -4.551 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.566 -5.943 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.755 -7.659 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.123 -7.452 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.554 -7.066 6.709 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.970 -2.410 7.647 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.757 -1.656 8.877 1.00 0.00 C ATOM 2034 C ASP A 127 -15.951 -0.162 8.633 1.00 0.00 C ATOM 2035 O ASP A 127 -16.602 0.528 9.420 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.353 -1.919 9.425 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.088 -1.181 10.721 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.455 -1.711 11.792 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.514 -0.073 10.668 1.00 0.00 O ATOM 0 H ASP A 127 -15.148 -2.912 7.312 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.491 -1.986 9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.225 -2.989 9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.614 -1.618 8.682 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.383 0.326 7.534 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.490 1.735 7.172 1.00 0.00 C ATOM 2046 C TYR A 128 -16.952 2.156 7.062 1.00 0.00 C ATOM 2047 O TYR A 128 -17.317 3.276 7.422 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.766 1.990 5.849 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.847 3.424 5.370 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.007 4.399 5.891 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.760 3.799 4.393 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.075 5.708 5.452 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.835 5.105 3.948 1.00 0.00 C ATOM 2054 CZ TYR A 128 -14.990 6.055 4.481 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.061 7.356 4.042 1.00 0.00 O ATOM 0 H TYR A 128 -14.842 -0.236 6.877 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.022 2.330 7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.718 1.714 5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.188 1.338 5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.289 4.130 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.423 3.057 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.415 6.455 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.551 5.380 3.188 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.757 7.432 3.356 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.783 1.249 6.561 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.207 1.516 6.403 1.00 0.00 C ATOM 2067 C ARG A 129 -19.902 1.562 7.759 1.00 0.00 C ATOM 2068 O ARG A 129 -20.800 2.373 7.982 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.847 0.445 5.518 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.339 0.634 5.305 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.917 -0.470 4.436 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.355 -0.316 4.235 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.130 -1.257 3.701 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.607 -2.415 3.322 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.428 -1.039 3.548 1.00 0.00 N ATOM 0 H ARG A 129 -17.493 0.320 6.257 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.324 2.489 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.349 0.443 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.675 -0.533 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.848 0.645 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.522 1.601 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.414 -0.470 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.718 -1.437 4.899 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.790 0.562 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.608 -2.586 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.203 -3.134 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.834 -0.150 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.022 -1.760 3.139 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.478 0.682 8.663 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.052 0.617 10.001 1.00 0.00 C ATOM 2091 C ALA A 130 -19.847 1.930 10.748 1.00 0.00 C ATOM 2092 O ALA A 130 -20.672 2.322 11.574 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.439 -0.537 10.780 1.00 0.00 C ATOM 0 H ALA A 130 -18.737 0.003 8.491 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.124 0.447 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.876 -0.575 11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.639 -1.474 10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.362 -0.390 10.861 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.740 2.605 10.453 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.425 3.876 11.098 1.00 0.00 C ATOM 2101 C GLU A 131 -19.373 4.976 10.629 1.00 0.00 C ATOM 2102 O GLU A 131 -19.619 5.944 11.348 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.979 4.275 10.804 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.956 3.256 11.278 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.026 3.012 12.772 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.825 2.150 13.196 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.282 3.681 13.519 1.00 0.00 O ATOM 0 H GLU A 131 -18.047 2.294 9.772 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.549 3.749 12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.863 4.421 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.772 5.233 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.115 2.315 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.956 3.602 11.016 1.00 0.00 H new ATOM 2114 N LYS A 132 -19.904 4.819 9.419 1.00 0.00 N ATOM 2115 CA LYS A 132 -20.824 5.801 8.854 1.00 0.00 C ATOM 2116 C LYS A 132 -22.130 5.847 9.641 1.00 0.00 C ATOM 2117 O LYS A 132 -22.891 6.810 9.538 1.00 0.00 O ATOM 2118 CB LYS A 132 -21.111 5.476 7.386 1.00 0.00 C ATOM 2119 CG LYS A 132 -19.906 5.649 6.475 1.00 0.00 C ATOM 2120 CD LYS A 132 -19.492 7.109 6.368 1.00 0.00 C ATOM 2121 CE LYS A 132 -18.330 7.288 5.404 1.00 0.00 C ATOM 2122 NZ LYS A 132 -17.924 8.716 5.282 1.00 0.00 N ATOM 0 H LYS A 132 -19.713 4.022 8.812 1.00 0.00 H new ATOM 0 HA LYS A 132 -20.351 6.781 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -21.466 4.448 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -21.918 6.117 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -19.072 5.061 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -20.140 5.263 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -20.340 7.705 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.210 7.482 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -17.480 6.697 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -18.610 6.905 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -17.129 8.795 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -18.727 9.276 4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -17.632 9.075 6.213 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.384 4.803 10.424 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.600 4.729 11.226 1.00 0.00 C ATOM 2138 C GLU A 133 -23.518 5.668 12.425 1.00 0.00 C ATOM 2139 O GLU A 133 -24.539 6.135 12.931 1.00 0.00 O ATOM 2140 CB GLU A 133 -23.834 3.294 11.703 1.00 0.00 C ATOM 2141 CG GLU A 133 -23.943 2.288 10.569 1.00 0.00 C ATOM 2142 CD GLU A 133 -24.156 0.871 11.066 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -23.163 0.226 11.463 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -25.316 0.408 11.060 1.00 0.00 O ATOM 0 H GLU A 133 -21.765 3.998 10.520 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.438 5.038 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -23.016 3.000 12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -24.748 3.261 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -24.770 2.569 9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -23.035 2.325 9.966 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.297 5.939 12.874 1.00 0.00 N ATOM 2152 CA GLY A 134 -22.102 6.821 14.009 1.00 0.00 C ATOM 2153 C GLY A 134 -22.498 6.174 15.323 1.00 0.00 C ATOM 2154 O GLY A 134 -22.895 6.861 16.265 1.00 0.00 O ATOM 0 H GLY A 134 -21.439 5.563 12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -21.055 7.121 14.056 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -22.687 7.729 13.864 1.00 0.00 H new ATOM 2158 N ARG A 135 -22.389 4.850 15.386 1.00 0.00 N ATOM 2159 CA ARG A 135 -22.736 4.112 16.595 1.00 0.00 C ATOM 2160 C ARG A 135 -21.633 3.128 16.970 1.00 0.00 C ATOM 2161 O ARG A 135 -21.736 2.414 17.968 1.00 0.00 O ATOM 2162 CB ARG A 135 -24.058 3.365 16.402 1.00 0.00 C ATOM 2163 CG ARG A 135 -25.234 4.277 16.087 1.00 0.00 C ATOM 2164 CD ARG A 135 -26.536 3.497 16.002 1.00 0.00 C ATOM 2165 NE ARG A 135 -26.878 2.863 17.272 1.00 0.00 N ATOM 2166 CZ ARG A 135 -27.906 2.034 17.432 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -28.695 1.743 16.407 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -28.146 1.497 18.620 1.00 0.00 N ATOM 0 H ARG A 135 -22.063 4.267 14.615 1.00 0.00 H new ATOM 0 HA ARG A 135 -22.848 4.830 17.407 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -23.943 2.643 15.594 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -24.281 2.798 17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -25.318 5.044 16.857 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -25.054 4.791 15.143 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -27.342 4.168 15.703 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -26.452 2.735 15.227 1.00 0.00 H new ATOM 0 HE ARG A 135 -26.295 3.068 18.084 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -28.515 2.155 15.492 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -29.482 1.107 16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -27.542 1.719 19.412 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -28.934 0.861 18.743 1.00 0.00 H new ATOM 2182 N GLY A 136 -20.577 3.095 16.163 1.00 0.00 N ATOM 2183 CA GLY A 136 -19.468 2.197 16.425 1.00 0.00 C ATOM 2184 C GLY A 136 -18.496 2.757 17.445 1.00 0.00 C ATOM 2185 O GLY A 136 -17.541 3.450 17.038 1.00 0.00 O ATOM 2186 OXT GLY A 136 -18.693 2.503 18.652 1.00 0.00 O ATOM 0 H GLY A 136 -20.470 3.675 15.331 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -19.854 1.242 16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -18.938 1.998 15.494 1.00 0.00 H new TER 2190 GLY A 136