USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 44 ASN : amide:sc= -0.388 X(o=-1.1,f=-1) USER MOD Set 1.2: A 82 HIS : no HE2:sc= -0.695 K(o=-1.1,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.758 K(o=0.76,f=-0.0019) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 69:sc= 0.969 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.562 K(o=0.56,f=-3.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 152:sc= 1.32 USER MOD Single : A 32 THR OG1 : rot -149:sc= 0.566 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.211 X(o=0.21,f=-0.0034) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0038 X(o=-0.0038,f=-0.0038) USER MOD Single : A 41 GLN : amide:sc= 0.108 K(o=0.11,f=-0.49) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 52 SER OG : rot -45:sc= -0.174 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -109:sc= -0.905 (180deg=-5.8!) USER MOD Single : A 60 ASN : amide:sc= 0.015 X(o=0.015,f=-0.15) USER MOD Single : A 61 TYR OH : rot 151:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0.533 USER MOD Single : A 67 THR OG1 : rot -43:sc= 0.0399 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 0.636 (180deg=0.402) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.444 -19.139 -7.933 1.00 0.00 N ATOM 2 CA GLY A 1 -13.708 -19.882 -8.959 1.00 0.00 C ATOM 3 C GLY A 1 -12.424 -19.168 -9.316 1.00 0.00 C ATOM 4 O GLY A 1 -12.310 -18.640 -10.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.323 -19.645 -7.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.858 -19.054 -7.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.675 -18.190 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.484 -20.886 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.327 -19.994 -9.849 1.00 0.00 H new ATOM 8 N ALA A 2 -11.459 -19.102 -8.399 1.00 0.00 N ATOM 9 CA ALA A 2 -10.205 -18.399 -8.611 1.00 0.00 C ATOM 10 C ALA A 2 -9.131 -19.024 -7.727 1.00 0.00 C ATOM 11 O ALA A 2 -9.441 -19.687 -6.733 1.00 0.00 O ATOM 12 CB ALA A 2 -10.394 -16.915 -8.266 1.00 0.00 C ATOM 0 H ALA A 2 -11.532 -19.541 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.896 -18.479 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.456 -16.383 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.166 -16.488 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.695 -16.819 -7.223 1.00 0.00 H new ATOM 18 N ALA A 3 -7.868 -18.783 -8.070 1.00 0.00 N ATOM 19 CA ALA A 3 -6.718 -19.105 -7.234 1.00 0.00 C ATOM 20 C ALA A 3 -5.645 -18.020 -7.366 1.00 0.00 C ATOM 21 O ALA A 3 -4.464 -18.306 -7.183 1.00 0.00 O ATOM 22 CB ALA A 3 -6.182 -20.498 -7.591 1.00 0.00 C ATOM 0 H ALA A 3 -7.612 -18.349 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.024 -19.130 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.323 -20.730 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.963 -21.241 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.879 -20.514 -8.638 1.00 0.00 H new ATOM 28 N GLY A 4 -6.034 -16.798 -7.728 1.00 0.00 N ATOM 29 CA GLY A 4 -5.165 -15.656 -7.896 1.00 0.00 C ATOM 30 C GLY A 4 -5.381 -14.674 -6.760 1.00 0.00 C ATOM 31 O GLY A 4 -6.067 -14.949 -5.771 1.00 0.00 O ATOM 0 H GLY A 4 -7.011 -16.577 -7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.124 -15.979 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.367 -15.171 -8.851 1.00 0.00 H new ATOM 35 N ILE A 5 -4.791 -13.500 -6.920 1.00 0.00 N ATOM 36 CA ILE A 5 -4.753 -12.454 -5.905 1.00 0.00 C ATOM 37 C ILE A 5 -6.138 -11.925 -5.522 1.00 0.00 C ATOM 38 O ILE A 5 -6.284 -11.317 -4.470 1.00 0.00 O ATOM 39 CB ILE A 5 -3.843 -11.300 -6.384 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.414 -10.523 -7.593 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.429 -11.840 -6.681 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.624 -9.247 -7.899 1.00 0.00 C ATOM 0 H ILE A 5 -4.312 -13.239 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.344 -12.903 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.793 -10.574 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.408 -11.169 -8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.454 -10.263 -7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.791 -11.023 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.009 -12.278 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.486 -12.601 -7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.068 -8.741 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.652 -8.586 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.590 -9.505 -8.126 1.00 0.00 H new ATOM 54 N ASP A 6 -7.141 -12.156 -6.366 1.00 0.00 N ATOM 55 CA ASP A 6 -8.472 -11.558 -6.305 1.00 0.00 C ATOM 56 C ASP A 6 -9.214 -11.882 -5.011 1.00 0.00 C ATOM 57 O ASP A 6 -10.057 -11.105 -4.567 1.00 0.00 O ATOM 58 CB ASP A 6 -9.243 -12.092 -7.510 1.00 0.00 C ATOM 59 CG ASP A 6 -10.452 -11.260 -7.923 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.634 -10.111 -7.469 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.152 -11.678 -8.876 1.00 0.00 O ATOM 0 H ASP A 6 -7.042 -12.799 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.383 -10.472 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.561 -12.160 -8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.577 -13.106 -7.288 1.00 0.00 H new ATOM 66 N GLN A 7 -8.855 -12.997 -4.371 1.00 0.00 N ATOM 67 CA GLN A 7 -9.362 -13.362 -3.058 1.00 0.00 C ATOM 68 C GLN A 7 -8.977 -12.344 -1.984 1.00 0.00 C ATOM 69 O GLN A 7 -9.740 -12.119 -1.046 1.00 0.00 O ATOM 70 CB GLN A 7 -8.817 -14.751 -2.726 1.00 0.00 C ATOM 71 CG GLN A 7 -7.294 -14.812 -2.511 1.00 0.00 C ATOM 72 CD GLN A 7 -6.784 -16.244 -2.547 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.198 -17.091 -1.762 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.937 -16.570 -3.505 1.00 0.00 N ATOM 0 H GLN A 7 -8.198 -13.674 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.452 -13.371 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.312 -15.114 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.083 -15.433 -3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.793 -14.226 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.042 -14.359 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.600 -15.857 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.620 -17.535 -3.599 1.00 0.00 H new ATOM 83 N TYR A 8 -7.786 -11.759 -2.108 1.00 0.00 N ATOM 84 CA TYR A 8 -7.241 -10.806 -1.161 1.00 0.00 C ATOM 85 C TYR A 8 -7.625 -9.374 -1.538 1.00 0.00 C ATOM 86 O TYR A 8 -7.229 -8.463 -0.812 1.00 0.00 O ATOM 87 CB TYR A 8 -5.710 -10.945 -1.126 1.00 0.00 C ATOM 88 CG TYR A 8 -5.169 -12.334 -0.892 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.324 -12.945 0.359 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.484 -13.005 -1.922 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.764 -14.208 0.591 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.916 -14.268 -1.694 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.021 -14.857 -0.414 1.00 0.00 C ATOM 94 OH TYR A 8 -3.375 -16.017 -0.128 1.00 0.00 O ATOM 0 H TYR A 8 -7.162 -11.945 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.655 -11.018 -0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.312 -10.578 -2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.325 -10.292 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.874 -12.444 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.395 -12.545 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.903 -14.688 1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.403 -14.786 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.909 -16.338 -0.928 1.00 0.00 H new ATOM 104 N ALA A 9 -8.309 -9.151 -2.672 1.00 0.00 N ATOM 105 CA ALA A 9 -8.715 -7.827 -3.119 1.00 0.00 C ATOM 106 C ALA A 9 -9.738 -7.268 -2.131 1.00 0.00 C ATOM 107 O ALA A 9 -10.906 -7.669 -2.141 1.00 0.00 O ATOM 108 CB ALA A 9 -9.273 -7.894 -4.548 1.00 0.00 C ATOM 0 H ALA A 9 -8.594 -9.899 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.856 -7.157 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.573 -6.896 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.505 -8.276 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.138 -8.557 -4.570 1.00 0.00 H new ATOM 114 N LEU A 10 -9.296 -6.362 -1.261 1.00 0.00 N ATOM 115 CA LEU A 10 -10.183 -5.655 -0.352 1.00 0.00 C ATOM 116 C LEU A 10 -10.673 -4.390 -1.031 1.00 0.00 C ATOM 117 O LEU A 10 -10.123 -3.946 -2.044 1.00 0.00 O ATOM 118 CB LEU A 10 -9.481 -5.334 0.975 1.00 0.00 C ATOM 119 CG LEU A 10 -9.168 -6.585 1.814 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.506 -6.159 3.121 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.407 -7.421 2.157 1.00 0.00 C ATOM 0 H LEU A 10 -8.314 -6.101 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.035 -6.292 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.553 -4.802 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.110 -4.662 1.558 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.511 -7.207 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.282 -7.042 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.582 -5.624 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.181 -5.507 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.110 -8.286 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.109 -6.814 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.885 -7.758 1.237 1.00 0.00 H new ATOM 133 N LYS A 11 -11.731 -3.822 -0.466 1.00 0.00 N ATOM 134 CA LYS A 11 -12.479 -2.695 -1.012 1.00 0.00 C ATOM 135 C LYS A 11 -12.565 -1.544 -0.007 1.00 0.00 C ATOM 136 O LYS A 11 -12.763 -0.389 -0.380 1.00 0.00 O ATOM 137 CB LYS A 11 -13.862 -3.162 -1.495 1.00 0.00 C ATOM 138 CG LYS A 11 -14.590 -4.060 -0.486 1.00 0.00 C ATOM 139 CD LYS A 11 -15.963 -4.490 -1.004 1.00 0.00 C ATOM 140 CE LYS A 11 -16.850 -5.148 0.057 1.00 0.00 C ATOM 141 NZ LYS A 11 -16.460 -6.523 0.430 1.00 0.00 N ATOM 0 H LYS A 11 -12.108 -4.148 0.424 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.944 -2.304 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.479 -2.288 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.747 -3.703 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.985 -4.943 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.707 -3.528 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.479 -3.617 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.826 -5.186 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.840 -4.528 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.877 -5.164 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.115 -6.886 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.497 -7.134 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.493 -6.518 0.812 1.00 0.00 H new ATOM 155 N GLU A 12 -12.354 -1.850 1.267 1.00 0.00 N ATOM 156 CA GLU A 12 -12.359 -0.934 2.393 1.00 0.00 C ATOM 157 C GLU A 12 -11.583 -1.593 3.522 1.00 0.00 C ATOM 158 O GLU A 12 -11.389 -2.816 3.504 1.00 0.00 O ATOM 159 CB GLU A 12 -13.801 -0.627 2.833 1.00 0.00 C ATOM 160 CG GLU A 12 -14.540 -1.901 3.282 1.00 0.00 C ATOM 161 CD GLU A 12 -16.051 -1.774 3.424 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.647 -0.766 2.980 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.644 -2.757 3.928 1.00 0.00 O ATOM 0 H GLU A 12 -12.162 -2.809 1.557 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.896 0.013 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.787 0.093 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.343 -0.163 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.327 -2.694 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.129 -2.218 4.240 1.00 0.00 H new ATOM 170 N PHE A 13 -11.174 -0.799 4.505 1.00 0.00 N ATOM 171 CA PHE A 13 -10.528 -1.273 5.720 1.00 0.00 C ATOM 172 C PHE A 13 -10.555 -0.187 6.786 1.00 0.00 C ATOM 173 O PHE A 13 -10.934 0.949 6.496 1.00 0.00 O ATOM 174 CB PHE A 13 -9.083 -1.714 5.435 1.00 0.00 C ATOM 175 CG PHE A 13 -8.085 -0.638 5.017 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.185 -0.009 3.758 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.001 -0.323 5.860 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.223 0.934 3.355 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.023 0.596 5.442 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.139 1.235 4.196 1.00 0.00 C ATOM 0 H PHE A 13 -11.286 0.215 4.477 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.078 -2.139 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.697 -2.200 6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.111 -2.469 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.006 -0.253 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.921 -0.789 6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.318 1.427 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.179 0.812 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.397 1.956 3.886 1.00 0.00 H new ATOM 190 N THR A 14 -10.076 -0.524 7.981 1.00 0.00 N ATOM 191 CA THR A 14 -9.837 0.413 9.065 1.00 0.00 C ATOM 192 C THR A 14 -8.400 0.210 9.540 1.00 0.00 C ATOM 193 O THR A 14 -8.060 -0.847 10.081 1.00 0.00 O ATOM 194 CB THR A 14 -10.854 0.230 10.205 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.181 0.139 9.716 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.784 1.383 11.214 1.00 0.00 C ATOM 0 H THR A 14 -9.838 -1.486 8.224 1.00 0.00 H new ATOM 0 HA THR A 14 -9.969 1.437 8.716 1.00 0.00 H new ATOM 0 HB THR A 14 -10.588 -0.704 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.799 0.022 10.467 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.516 1.220 12.005 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.785 1.427 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.001 2.323 10.707 1.00 0.00 H new ATOM 204 N ALA A 15 -7.534 1.194 9.327 1.00 0.00 N ATOM 205 CA ALA A 15 -6.211 1.286 9.938 1.00 0.00 C ATOM 206 C ALA A 15 -6.177 2.625 10.656 1.00 0.00 C ATOM 207 O ALA A 15 -6.930 3.522 10.293 1.00 0.00 O ATOM 208 CB ALA A 15 -5.119 1.200 8.871 1.00 0.00 C ATOM 0 H ALA A 15 -7.739 1.975 8.704 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.028 0.465 10.632 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.140 1.270 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.199 0.249 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.238 2.019 8.162 1.00 0.00 H new ATOM 214 N ASP A 16 -5.302 2.813 11.641 1.00 0.00 N ATOM 215 CA ASP A 16 -5.182 4.104 12.340 1.00 0.00 C ATOM 216 C ASP A 16 -6.508 4.531 12.992 1.00 0.00 C ATOM 217 O ASP A 16 -6.796 5.721 13.141 1.00 0.00 O ATOM 218 CB ASP A 16 -4.687 5.162 11.331 1.00 0.00 C ATOM 219 CG ASP A 16 -3.646 6.131 11.870 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.466 5.706 11.930 1.00 0.00 O ATOM 221 OD2 ASP A 16 -3.973 7.317 12.085 1.00 0.00 O ATOM 0 H ASP A 16 -4.663 2.093 11.978 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.463 4.004 13.153 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.269 4.648 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.545 5.734 10.978 1.00 0.00 H new ATOM 226 N PHE A 17 -7.366 3.554 13.310 1.00 0.00 N ATOM 227 CA PHE A 17 -8.745 3.725 13.787 1.00 0.00 C ATOM 228 C PHE A 17 -9.629 4.506 12.807 1.00 0.00 C ATOM 229 O PHE A 17 -10.696 4.995 13.173 1.00 0.00 O ATOM 230 CB PHE A 17 -8.772 4.354 15.191 1.00 0.00 C ATOM 231 CG PHE A 17 -7.678 3.879 16.121 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.826 2.672 16.826 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.487 4.623 16.236 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.787 2.211 17.649 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.447 4.161 17.055 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.597 2.956 17.760 1.00 0.00 C ATOM 0 H PHE A 17 -7.104 2.571 13.238 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.175 2.725 13.851 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.699 5.437 15.090 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.737 4.141 15.650 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.738 2.100 16.734 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.375 5.550 15.693 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.900 1.287 18.196 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.533 4.730 17.143 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.796 2.599 18.390 1.00 0.00 H new ATOM 246 N THR A 18 -9.189 4.627 11.564 1.00 0.00 N ATOM 247 CA THR A 18 -9.754 5.460 10.525 1.00 0.00 C ATOM 248 C THR A 18 -10.202 4.511 9.426 1.00 0.00 C ATOM 249 O THR A 18 -9.434 3.650 8.993 1.00 0.00 O ATOM 250 CB THR A 18 -8.672 6.432 10.038 1.00 0.00 C ATOM 251 OG1 THR A 18 -8.129 7.141 11.134 1.00 0.00 O ATOM 252 CG2 THR A 18 -9.197 7.454 9.031 1.00 0.00 C ATOM 0 H THR A 18 -8.373 4.109 11.237 1.00 0.00 H new ATOM 0 HA THR A 18 -10.599 6.058 10.865 1.00 0.00 H new ATOM 0 HB THR A 18 -7.916 5.821 9.545 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.603 6.530 11.691 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.385 8.113 8.724 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.592 6.935 8.158 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.989 8.045 9.491 1.00 0.00 H new ATOM 260 N GLN A 19 -11.463 4.605 9.030 1.00 0.00 N ATOM 261 CA GLN A 19 -11.989 3.808 7.948 1.00 0.00 C ATOM 262 C GLN A 19 -11.595 4.440 6.614 1.00 0.00 C ATOM 263 O GLN A 19 -11.483 5.666 6.504 1.00 0.00 O ATOM 264 CB GLN A 19 -13.499 3.679 8.125 1.00 0.00 C ATOM 265 CG GLN A 19 -14.070 2.714 7.089 1.00 0.00 C ATOM 266 CD GLN A 19 -15.303 2.022 7.621 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.416 2.522 7.488 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.116 0.862 8.228 1.00 0.00 N ATOM 0 H GLN A 19 -12.143 5.236 9.453 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.570 2.802 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.726 3.322 9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.970 4.657 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.318 3.257 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.317 1.972 6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.175 0.480 8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.913 0.350 8.606 1.00 0.00 H new ATOM 277 N PHE A 20 -11.415 3.605 5.596 1.00 0.00 N ATOM 278 CA PHE A 20 -11.011 3.997 4.258 1.00 0.00 C ATOM 279 C PHE A 20 -11.636 3.056 3.244 1.00 0.00 C ATOM 280 O PHE A 20 -11.915 1.898 3.560 1.00 0.00 O ATOM 281 CB PHE A 20 -9.494 3.866 4.123 1.00 0.00 C ATOM 282 CG PHE A 20 -8.658 4.680 5.088 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.396 6.044 4.850 1.00 0.00 C ATOM 284 CD2 PHE A 20 -8.100 4.047 6.213 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.566 6.766 5.728 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.273 4.771 7.089 1.00 0.00 C ATOM 287 CZ PHE A 20 -7.008 6.130 6.851 1.00 0.00 C ATOM 0 H PHE A 20 -11.553 2.599 5.688 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.330 5.025 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.230 2.816 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.216 4.149 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.832 6.536 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.307 3.004 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.358 7.809 5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.840 4.281 7.948 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.377 6.685 7.529 1.00 0.00 H new ATOM 297 N HIS A 21 -11.759 3.526 2.006 1.00 0.00 N ATOM 298 CA HIS A 21 -12.342 2.804 0.887 1.00 0.00 C ATOM 299 C HIS A 21 -11.488 3.063 -0.359 1.00 0.00 C ATOM 300 O HIS A 21 -10.636 3.960 -0.346 1.00 0.00 O ATOM 301 CB HIS A 21 -13.794 3.262 0.687 1.00 0.00 C ATOM 302 CG HIS A 21 -14.622 3.366 1.951 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.552 4.383 2.879 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.571 2.479 2.380 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.431 4.096 3.854 1.00 0.00 C ATOM 306 NE2 HIS A 21 -16.089 2.951 3.594 1.00 0.00 N ATOM 0 H HIS A 21 -11.441 4.460 1.748 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.356 1.731 1.080 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.786 4.236 0.197 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.286 2.567 0.007 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.945 5.202 2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.869 1.574 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.589 4.705 4.732 1.00 0.00 H new ATOM 314 N ILE A 22 -11.697 2.300 -1.439 1.00 0.00 N ATOM 315 CA ILE A 22 -11.043 2.581 -2.718 1.00 0.00 C ATOM 316 C ILE A 22 -11.463 3.989 -3.141 1.00 0.00 C ATOM 317 O ILE A 22 -12.651 4.254 -3.337 1.00 0.00 O ATOM 318 CB ILE A 22 -11.380 1.541 -3.817 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.168 0.070 -3.402 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.578 1.829 -5.099 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.796 -0.271 -2.803 1.00 0.00 C ATOM 0 H ILE A 22 -12.312 1.486 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.963 2.514 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.449 1.657 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.936 -0.196 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.327 -0.560 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.828 1.088 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.826 2.825 -5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.511 1.778 -4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.763 -1.331 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.016 -0.047 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.634 0.323 -1.903 1.00 0.00 H new ATOM 333 N GLY A 23 -10.489 4.886 -3.285 1.00 0.00 N ATOM 334 CA GLY A 23 -10.695 6.259 -3.714 1.00 0.00 C ATOM 335 C GLY A 23 -10.534 7.289 -2.599 1.00 0.00 C ATOM 336 O GLY A 23 -10.434 8.471 -2.921 1.00 0.00 O ATOM 0 H GLY A 23 -9.510 4.667 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.989 6.489 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.695 6.350 -4.137 1.00 0.00 H new ATOM 340 N ASP A 24 -10.497 6.883 -1.325 1.00 0.00 N ATOM 341 CA ASP A 24 -10.262 7.779 -0.185 1.00 0.00 C ATOM 342 C ASP A 24 -8.757 8.165 -0.184 1.00 0.00 C ATOM 343 O ASP A 24 -8.049 7.834 -1.140 1.00 0.00 O ATOM 344 CB ASP A 24 -10.723 7.092 1.126 1.00 0.00 C ATOM 345 CG ASP A 24 -12.228 6.793 1.271 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.990 6.765 0.281 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.642 6.480 2.421 1.00 0.00 O ATOM 0 H ASP A 24 -10.631 5.909 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.845 8.697 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.180 6.152 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.421 7.723 1.962 1.00 0.00 H new ATOM 352 N THR A 25 -8.189 8.832 0.827 1.00 0.00 N ATOM 353 CA THR A 25 -6.787 9.230 0.866 1.00 0.00 C ATOM 354 C THR A 25 -6.161 8.813 2.202 1.00 0.00 C ATOM 355 O THR A 25 -6.813 8.929 3.246 1.00 0.00 O ATOM 356 CB THR A 25 -6.685 10.752 0.706 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.816 11.488 1.130 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.337 11.194 -0.720 1.00 0.00 C ATOM 0 H THR A 25 -8.708 9.114 1.658 1.00 0.00 H new ATOM 0 HA THR A 25 -6.252 8.739 0.053 1.00 0.00 H new ATOM 0 HB THR A 25 -5.863 10.988 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.655 12.445 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.281 12.282 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.375 10.770 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.107 10.844 -1.407 1.00 0.00 H new ATOM 366 N VAL A 26 -4.900 8.374 2.211 1.00 0.00 N ATOM 367 CA VAL A 26 -4.207 7.988 3.441 1.00 0.00 C ATOM 368 C VAL A 26 -3.696 9.246 4.161 1.00 0.00 C ATOM 369 O VAL A 26 -3.435 10.261 3.498 1.00 0.00 O ATOM 370 CB VAL A 26 -3.029 7.039 3.141 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.443 5.827 2.304 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.805 7.666 2.452 1.00 0.00 C ATOM 0 H VAL A 26 -4.333 8.277 1.369 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.912 7.459 4.082 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.729 6.749 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.573 5.195 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.202 5.257 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.849 6.165 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.045 6.901 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.103 8.085 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.398 8.457 3.082 1.00 0.00 H new ATOM 382 N PRO A 27 -3.464 9.205 5.483 1.00 0.00 N ATOM 383 CA PRO A 27 -2.699 10.235 6.174 1.00 0.00 C ATOM 384 C PRO A 27 -1.220 10.153 5.792 1.00 0.00 C ATOM 385 O PRO A 27 -0.702 9.085 5.449 1.00 0.00 O ATOM 386 CB PRO A 27 -2.901 9.958 7.663 1.00 0.00 C ATOM 387 CG PRO A 27 -3.143 8.457 7.720 1.00 0.00 C ATOM 388 CD PRO A 27 -3.881 8.167 6.415 1.00 0.00 C ATOM 0 HA PRO A 27 -3.029 11.239 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.026 10.245 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.748 10.516 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.207 7.901 7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.739 8.179 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.629 7.177 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.961 8.186 6.564 1.00 0.00 H new ATOM 396 N ALA A 28 -0.506 11.272 5.942 1.00 0.00 N ATOM 397 CA ALA A 28 0.914 11.366 5.622 1.00 0.00 C ATOM 398 C ALA A 28 1.776 10.417 6.458 1.00 0.00 C ATOM 399 O ALA A 28 2.884 10.075 6.044 1.00 0.00 O ATOM 400 CB ALA A 28 1.373 12.816 5.757 1.00 0.00 C ATOM 0 H ALA A 28 -0.904 12.143 6.292 1.00 0.00 H new ATOM 0 HA ALA A 28 1.047 11.045 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.434 12.886 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.804 13.443 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.209 13.156 6.779 1.00 0.00 H new ATOM 406 N MET A 29 1.236 9.909 7.569 1.00 0.00 N ATOM 407 CA MET A 29 1.838 8.893 8.410 1.00 0.00 C ATOM 408 C MET A 29 2.285 7.658 7.635 1.00 0.00 C ATOM 409 O MET A 29 3.238 7.009 8.072 1.00 0.00 O ATOM 410 CB MET A 29 0.829 8.462 9.481 1.00 0.00 C ATOM 411 CG MET A 29 0.234 9.621 10.284 1.00 0.00 C ATOM 412 SD MET A 29 1.408 10.495 11.346 1.00 0.00 S ATOM 413 CE MET A 29 0.225 11.172 12.533 1.00 0.00 C ATOM 0 H MET A 29 0.326 10.214 7.915 1.00 0.00 H new ATOM 0 HA MET A 29 2.728 9.338 8.855 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.019 7.913 9.001 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.318 7.772 10.168 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.207 10.336 9.590 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.577 9.236 10.903 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.757 11.755 13.285 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.486 11.814 12.013 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.311 10.356 13.018 1.00 0.00 H new ATOM 423 N TYR A 30 1.645 7.349 6.501 1.00 0.00 N ATOM 424 CA TYR A 30 1.997 6.185 5.689 1.00 0.00 C ATOM 425 C TYR A 30 2.663 6.563 4.363 1.00 0.00 C ATOM 426 O TYR A 30 3.136 5.675 3.661 1.00 0.00 O ATOM 427 CB TYR A 30 0.740 5.336 5.465 1.00 0.00 C ATOM 428 CG TYR A 30 0.109 4.885 6.768 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.723 3.877 7.536 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.060 5.511 7.238 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.159 3.488 8.764 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.593 5.172 8.498 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.984 4.152 9.266 1.00 0.00 C ATOM 434 OH TYR A 30 -1.500 3.779 10.473 1.00 0.00 O ATOM 0 H TYR A 30 0.872 7.898 6.124 1.00 0.00 H new ATOM 0 HA TYR A 30 2.741 5.603 6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.013 5.912 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.997 4.462 4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.627 3.403 7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.552 6.256 6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.601 2.679 9.326 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.463 5.689 8.876 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.956 4.543 10.884 1.00 0.00 H new ATOM 444 N LEU A 31 2.717 7.853 4.019 1.00 0.00 N ATOM 445 CA LEU A 31 3.366 8.363 2.815 1.00 0.00 C ATOM 446 C LEU A 31 4.882 8.454 2.975 1.00 0.00 C ATOM 447 O LEU A 31 5.595 8.457 1.969 1.00 0.00 O ATOM 448 CB LEU A 31 2.777 9.749 2.493 1.00 0.00 C ATOM 449 CG LEU A 31 1.447 9.606 1.730 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.411 10.682 2.053 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.757 9.604 0.233 1.00 0.00 C ATOM 0 H LEU A 31 2.298 8.589 4.588 1.00 0.00 H new ATOM 0 HA LEU A 31 3.178 7.669 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.615 10.305 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.486 10.322 1.896 1.00 0.00 H new ATOM 0 HG LEU A 31 0.990 8.670 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.493 10.503 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.171 10.649 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.815 11.663 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.829 9.504 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.247 10.539 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.416 8.768 -0.001 1.00 0.00 H new ATOM 463 N THR A 32 5.380 8.554 4.208 1.00 0.00 N ATOM 464 CA THR A 32 6.805 8.613 4.521 1.00 0.00 C ATOM 465 C THR A 32 7.536 7.378 3.932 1.00 0.00 C ATOM 466 O THR A 32 6.953 6.288 3.879 1.00 0.00 O ATOM 467 CB THR A 32 6.939 8.792 6.051 1.00 0.00 C ATOM 468 OG1 THR A 32 8.285 8.897 6.459 1.00 0.00 O ATOM 469 CG2 THR A 32 6.246 7.694 6.844 1.00 0.00 C ATOM 0 H THR A 32 4.787 8.597 5.037 1.00 0.00 H new ATOM 0 HA THR A 32 7.299 9.465 4.054 1.00 0.00 H new ATOM 0 HB THR A 32 6.432 9.731 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.385 8.520 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.377 7.877 7.910 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.183 7.688 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.681 6.729 6.586 1.00 0.00 H new ATOM 477 N PRO A 33 8.826 7.479 3.538 1.00 0.00 N ATOM 478 CA PRO A 33 9.571 6.377 2.922 1.00 0.00 C ATOM 479 C PRO A 33 9.755 5.170 3.861 1.00 0.00 C ATOM 480 O PRO A 33 10.169 4.094 3.425 1.00 0.00 O ATOM 481 CB PRO A 33 10.905 6.971 2.473 1.00 0.00 C ATOM 482 CG PRO A 33 11.102 8.183 3.363 1.00 0.00 C ATOM 483 CD PRO A 33 9.678 8.655 3.616 1.00 0.00 C ATOM 0 HA PRO A 33 9.016 5.968 2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.718 6.255 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.880 7.252 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.612 7.924 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.701 8.951 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.596 9.128 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.380 9.398 2.877 1.00 0.00 H new ATOM 491 N GLU A 34 9.392 5.325 5.134 1.00 0.00 N ATOM 492 CA GLU A 34 9.479 4.333 6.191 1.00 0.00 C ATOM 493 C GLU A 34 8.617 3.109 5.894 1.00 0.00 C ATOM 494 O GLU A 34 8.973 2.002 6.301 1.00 0.00 O ATOM 495 CB GLU A 34 9.023 5.006 7.491 1.00 0.00 C ATOM 496 CG GLU A 34 10.059 6.040 7.948 1.00 0.00 C ATOM 497 CD GLU A 34 9.539 6.876 9.109 1.00 0.00 C ATOM 498 OE1 GLU A 34 9.672 6.432 10.268 1.00 0.00 O ATOM 499 OE2 GLU A 34 9.025 7.995 8.846 1.00 0.00 O ATOM 0 H GLU A 34 9.005 6.207 5.470 1.00 0.00 H new ATOM 0 HA GLU A 34 10.506 3.977 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.059 5.491 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.883 4.254 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.975 5.531 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.315 6.693 7.114 1.00 0.00 H new ATOM 506 N TYR A 35 7.519 3.287 5.154 1.00 0.00 N ATOM 507 CA TYR A 35 6.558 2.235 4.825 1.00 0.00 C ATOM 508 C TYR A 35 6.379 2.086 3.312 1.00 0.00 C ATOM 509 O TYR A 35 5.581 1.263 2.877 1.00 0.00 O ATOM 510 CB TYR A 35 5.222 2.528 5.520 1.00 0.00 C ATOM 511 CG TYR A 35 5.346 2.762 7.015 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.394 1.677 7.908 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.470 4.073 7.506 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.557 1.910 9.285 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.582 4.320 8.883 1.00 0.00 C ATOM 516 CZ TYR A 35 5.638 3.232 9.781 1.00 0.00 C ATOM 517 OH TYR A 35 5.787 3.434 11.120 1.00 0.00 O ATOM 0 H TYR A 35 7.269 4.193 4.757 1.00 0.00 H new ATOM 0 HA TYR A 35 6.945 1.283 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.770 3.407 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.543 1.693 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.306 0.667 7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.479 4.902 6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.621 1.075 9.967 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.625 5.334 9.253 1.00 0.00 H new ATOM 0 HH TYR A 35 5.828 4.396 11.303 1.00 0.00 H new ATOM 527 N ASN A 36 7.106 2.878 2.521 1.00 0.00 N ATOM 528 CA ASN A 36 7.155 2.912 1.061 1.00 0.00 C ATOM 529 C ASN A 36 7.760 1.600 0.554 1.00 0.00 C ATOM 530 O ASN A 36 8.983 1.484 0.435 1.00 0.00 O ATOM 531 CB ASN A 36 7.977 4.162 0.702 1.00 0.00 C ATOM 532 CG ASN A 36 8.292 4.456 -0.749 1.00 0.00 C ATOM 533 OD1 ASN A 36 8.033 5.537 -1.266 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.046 3.607 -1.399 1.00 0.00 N ATOM 0 H ASN A 36 7.732 3.575 2.925 1.00 0.00 H new ATOM 0 HA ASN A 36 6.177 2.986 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.448 5.027 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.926 4.093 1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.408 3.849 -2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.271 2.703 -0.984 1.00 0.00 H new ATOM 541 N ILE A 37 6.929 0.595 0.275 1.00 0.00 N ATOM 542 CA ILE A 37 7.372 -0.683 -0.266 1.00 0.00 C ATOM 543 C ILE A 37 7.804 -0.440 -1.706 1.00 0.00 C ATOM 544 O ILE A 37 6.982 -0.145 -2.576 1.00 0.00 O ATOM 545 CB ILE A 37 6.295 -1.790 -0.180 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.786 -2.011 1.262 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.883 -3.109 -0.732 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.553 -2.914 1.277 1.00 0.00 C ATOM 0 H ILE A 37 5.921 0.649 0.421 1.00 0.00 H new ATOM 0 HA ILE A 37 8.202 -1.055 0.335 1.00 0.00 H new ATOM 0 HB ILE A 37 5.440 -1.469 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.576 -2.458 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.543 -1.051 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.130 -3.895 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.182 -2.968 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.752 -3.396 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.216 -3.053 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.757 -2.452 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.806 -3.882 0.844 1.00 0.00 H new ATOM 560 N LYS A 38 9.103 -0.579 -1.969 1.00 0.00 N ATOM 561 CA LYS A 38 9.592 -0.644 -3.337 1.00 0.00 C ATOM 562 C LYS A 38 9.594 -2.076 -3.849 1.00 0.00 C ATOM 563 O LYS A 38 9.403 -2.247 -5.051 1.00 0.00 O ATOM 564 CB LYS A 38 10.967 0.025 -3.463 1.00 0.00 C ATOM 565 CG LYS A 38 10.837 1.556 -3.340 1.00 0.00 C ATOM 566 CD LYS A 38 11.679 2.301 -4.379 1.00 0.00 C ATOM 567 CE LYS A 38 13.189 2.177 -4.152 1.00 0.00 C ATOM 568 NZ LYS A 38 13.723 3.240 -3.280 1.00 0.00 N ATOM 0 H LYS A 38 9.828 -0.648 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 38 8.908 -0.082 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.634 -0.352 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.416 -0.232 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.791 1.839 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.143 1.864 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.437 1.919 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.404 3.356 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.407 1.205 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.701 2.210 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.748 3.108 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.541 4.168 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.257 3.194 -2.351 1.00 0.00 H new ATOM 582 N GLN A 39 9.804 -3.088 -3.001 1.00 0.00 N ATOM 583 CA GLN A 39 9.850 -4.478 -3.451 1.00 0.00 C ATOM 584 C GLN A 39 8.432 -5.025 -3.665 1.00 0.00 C ATOM 585 O GLN A 39 7.869 -5.636 -2.758 1.00 0.00 O ATOM 586 CB GLN A 39 10.649 -5.363 -2.477 1.00 0.00 C ATOM 587 CG GLN A 39 12.159 -5.078 -2.484 1.00 0.00 C ATOM 588 CD GLN A 39 12.569 -3.938 -1.566 1.00 0.00 C ATOM 589 OE1 GLN A 39 12.604 -4.091 -0.352 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.925 -2.781 -2.092 1.00 0.00 N ATOM 0 H GLN A 39 9.945 -2.967 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 39 10.371 -4.502 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.265 -5.216 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.484 -6.410 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.692 -5.981 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.471 -4.844 -3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.897 -2.650 -3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.228 -2.018 -1.487 1.00 0.00 H new ATOM 599 N TRP A 40 7.868 -4.851 -4.864 1.00 0.00 N ATOM 600 CA TRP A 40 6.590 -5.449 -5.251 1.00 0.00 C ATOM 601 C TRP A 40 6.777 -6.641 -6.185 1.00 0.00 C ATOM 602 O TRP A 40 6.016 -7.597 -6.091 1.00 0.00 O ATOM 603 CB TRP A 40 5.668 -4.416 -5.905 1.00 0.00 C ATOM 604 CG TRP A 40 6.171 -3.766 -7.157 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.872 -2.613 -7.241 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.008 -4.236 -8.528 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.139 -2.332 -8.567 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.627 -3.300 -9.406 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.393 -5.363 -9.115 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.614 -3.461 -10.800 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.383 -5.540 -10.511 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.987 -4.590 -11.352 1.00 0.00 C ATOM 0 H TRP A 40 8.291 -4.285 -5.599 1.00 0.00 H new ATOM 0 HA TRP A 40 6.123 -5.807 -4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.719 -4.901 -6.131 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.460 -3.634 -5.175 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.176 -2.006 -6.401 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.652 -1.510 -8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.923 -6.101 -8.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.080 -2.726 -11.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.908 -6.411 -10.938 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.969 -4.728 -12.423 1.00 0.00 H new ATOM 623 N GLN A 41 7.788 -6.630 -7.060 1.00 0.00 N ATOM 624 CA GLN A 41 8.020 -7.722 -8.009 1.00 0.00 C ATOM 625 C GLN A 41 8.376 -9.010 -7.273 1.00 0.00 C ATOM 626 O GLN A 41 8.080 -10.107 -7.727 1.00 0.00 O ATOM 627 CB GLN A 41 9.157 -7.350 -8.968 1.00 0.00 C ATOM 628 CG GLN A 41 8.739 -6.202 -9.890 1.00 0.00 C ATOM 629 CD GLN A 41 9.824 -5.768 -10.862 1.00 0.00 C ATOM 630 OE1 GLN A 41 11.015 -5.984 -10.647 1.00 0.00 O ATOM 631 NE2 GLN A 41 9.446 -5.073 -11.925 1.00 0.00 N ATOM 0 H GLN A 41 8.464 -5.869 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 41 7.103 -7.883 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.040 -7.061 -8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.434 -8.219 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.858 -6.505 -10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.447 -5.347 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.455 -4.899 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.146 -4.712 -12.574 1.00 0.00 H new ATOM 640 N GLN A 42 8.975 -8.882 -6.094 1.00 0.00 N ATOM 641 CA GLN A 42 9.339 -9.988 -5.225 1.00 0.00 C ATOM 642 C GLN A 42 8.138 -10.427 -4.369 1.00 0.00 C ATOM 643 O GLN A 42 8.328 -10.861 -3.228 1.00 0.00 O ATOM 644 CB GLN A 42 10.557 -9.539 -4.407 1.00 0.00 C ATOM 645 CG GLN A 42 11.777 -9.363 -5.305 1.00 0.00 C ATOM 646 CD GLN A 42 12.970 -8.874 -4.506 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.105 -7.686 -4.227 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.861 -9.751 -4.105 1.00 0.00 N ATOM 0 H GLN A 42 9.228 -7.973 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 42 9.613 -10.877 -5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.334 -8.600 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.773 -10.276 -3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.020 -10.311 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.550 -8.652 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.747 -10.737 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.668 -9.446 -3.560 1.00 0.00 H new ATOM 657 N ARG A 43 6.915 -10.255 -4.878 1.00 0.00 N ATOM 658 CA ARG A 43 5.637 -10.618 -4.278 1.00 0.00 C ATOM 659 C ARG A 43 4.740 -11.142 -5.398 1.00 0.00 C ATOM 660 O ARG A 43 4.998 -10.886 -6.577 1.00 0.00 O ATOM 661 CB ARG A 43 4.931 -9.391 -3.657 1.00 0.00 C ATOM 662 CG ARG A 43 5.776 -8.486 -2.757 1.00 0.00 C ATOM 663 CD ARG A 43 6.069 -9.168 -1.425 1.00 0.00 C ATOM 664 NE ARG A 43 6.843 -8.289 -0.552 1.00 0.00 N ATOM 665 CZ ARG A 43 8.168 -8.209 -0.429 1.00 0.00 C ATOM 666 NH1 ARG A 43 8.983 -9.008 -1.114 1.00 0.00 N ATOM 667 NH2 ARG A 43 8.664 -7.306 0.400 1.00 0.00 N ATOM 0 H ARG A 43 6.788 -9.824 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 43 5.813 -11.355 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.531 -8.783 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.080 -9.747 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.712 -8.239 -3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.251 -7.547 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.133 -9.440 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.619 -10.093 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 43 6.302 -7.657 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.597 -9.704 -1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.993 -8.925 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.037 -6.695 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.674 -7.220 0.516 1.00 0.00 H new ATOM 681 N ASN A 44 3.610 -11.732 -5.021 1.00 0.00 N ATOM 682 CA ASN A 44 2.497 -12.049 -5.915 1.00 0.00 C ATOM 683 C ASN A 44 1.770 -10.785 -6.399 1.00 0.00 C ATOM 684 O ASN A 44 0.945 -10.858 -7.310 1.00 0.00 O ATOM 685 CB ASN A 44 1.477 -12.951 -5.195 1.00 0.00 C ATOM 686 CG ASN A 44 1.987 -14.361 -4.929 1.00 0.00 C ATOM 687 OD1 ASN A 44 2.827 -14.567 -4.061 1.00 0.00 O ATOM 688 ND2 ASN A 44 1.461 -15.355 -5.617 1.00 0.00 N ATOM 0 H ASN A 44 3.436 -12.012 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 44 2.920 -12.562 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.202 -12.489 -4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.569 -13.010 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.752 -16.315 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.763 -15.164 -6.336 1.00 0.00 H new ATOM 695 N LEU A 45 2.012 -9.628 -5.771 1.00 0.00 N ATOM 696 CA LEU A 45 1.250 -8.405 -6.026 1.00 0.00 C ATOM 697 C LEU A 45 1.471 -7.883 -7.456 1.00 0.00 C ATOM 698 O LEU A 45 2.504 -8.175 -8.067 1.00 0.00 O ATOM 699 CB LEU A 45 1.605 -7.316 -4.990 1.00 0.00 C ATOM 700 CG LEU A 45 0.944 -7.598 -3.623 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.737 -6.997 -2.463 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.479 -7.027 -3.580 1.00 0.00 C ATOM 0 H LEU A 45 2.744 -9.516 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 45 0.193 -8.652 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.687 -7.267 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.281 -6.343 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 45 0.922 -8.682 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.233 -7.221 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.740 -7.424 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.804 -5.916 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.926 -7.237 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.443 -5.949 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.080 -7.489 -4.363 1.00 0.00 H new ATOM 714 N PRO A 46 0.523 -7.085 -7.979 1.00 0.00 N ATOM 715 CA PRO A 46 0.649 -6.402 -9.268 1.00 0.00 C ATOM 716 C PRO A 46 1.677 -5.261 -9.196 1.00 0.00 C ATOM 717 O PRO A 46 2.078 -4.807 -8.114 1.00 0.00 O ATOM 718 CB PRO A 46 -0.737 -5.807 -9.588 1.00 0.00 C ATOM 719 CG PRO A 46 -1.395 -5.762 -8.240 1.00 0.00 C ATOM 720 CD PRO A 46 -0.772 -6.816 -7.375 1.00 0.00 C ATOM 0 HA PRO A 46 0.985 -7.104 -10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.659 -4.815 -10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.293 -6.429 -10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.269 -4.778 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.467 -5.934 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.663 -6.469 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.387 -7.715 -7.344 1.00 0.00 H new ATOM 728 N ALA A 47 2.016 -4.733 -10.375 1.00 0.00 N ATOM 729 CA ALA A 47 2.738 -3.478 -10.530 1.00 0.00 C ATOM 730 C ALA A 47 1.942 -2.314 -9.920 1.00 0.00 C ATOM 731 O ALA A 47 0.709 -2.353 -9.961 1.00 0.00 O ATOM 732 CB ALA A 47 2.979 -3.225 -12.023 1.00 0.00 C ATOM 0 H ALA A 47 1.789 -5.179 -11.264 1.00 0.00 H new ATOM 0 HA ALA A 47 3.692 -3.546 -10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.519 -2.287 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.567 -4.042 -12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.022 -3.166 -12.541 1.00 0.00 H new ATOM 738 N PRO A 48 2.608 -1.263 -9.407 1.00 0.00 N ATOM 739 CA PRO A 48 1.958 -0.011 -9.039 1.00 0.00 C ATOM 740 C PRO A 48 1.428 0.707 -10.288 1.00 0.00 C ATOM 741 O PRO A 48 1.752 0.349 -11.423 1.00 0.00 O ATOM 742 CB PRO A 48 3.042 0.805 -8.320 1.00 0.00 C ATOM 743 CG PRO A 48 4.335 0.325 -8.971 1.00 0.00 C ATOM 744 CD PRO A 48 4.050 -1.147 -9.255 1.00 0.00 C ATOM 0 HA PRO A 48 1.091 -0.162 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.896 1.876 -8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.039 0.619 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.556 0.877 -9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.191 0.450 -8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.564 -1.475 -10.159 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.407 -1.776 -8.440 1.00 0.00 H new ATOM 752 N ASP A 49 0.628 1.750 -10.085 1.00 0.00 N ATOM 753 CA ASP A 49 0.163 2.639 -11.147 1.00 0.00 C ATOM 754 C ASP A 49 1.295 3.599 -11.512 1.00 0.00 C ATOM 755 O ASP A 49 2.289 3.702 -10.788 1.00 0.00 O ATOM 756 CB ASP A 49 -1.102 3.409 -10.723 1.00 0.00 C ATOM 757 CG ASP A 49 -2.361 2.539 -10.640 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.270 1.292 -10.630 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.477 3.100 -10.593 1.00 0.00 O ATOM 0 H ASP A 49 0.278 2.006 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.109 2.045 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.926 3.870 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.278 4.218 -11.432 1.00 0.00 H new ATOM 764 N ALA A 50 1.146 4.316 -12.628 1.00 0.00 N ATOM 765 CA ALA A 50 2.165 5.133 -13.287 1.00 0.00 C ATOM 766 C ALA A 50 2.467 6.466 -12.580 1.00 0.00 C ATOM 767 O ALA A 50 2.609 7.507 -13.224 1.00 0.00 O ATOM 768 CB ALA A 50 1.699 5.368 -14.727 1.00 0.00 C ATOM 0 H ALA A 50 0.256 4.343 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 50 3.110 4.591 -13.251 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.435 5.976 -15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.590 4.410 -15.235 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.740 5.886 -14.719 1.00 0.00 H new ATOM 774 N GLY A 51 2.556 6.428 -11.260 1.00 0.00 N ATOM 775 CA GLY A 51 2.745 7.553 -10.371 1.00 0.00 C ATOM 776 C GLY A 51 2.171 7.162 -9.023 1.00 0.00 C ATOM 777 O GLY A 51 1.213 7.781 -8.566 1.00 0.00 O ATOM 0 H GLY A 51 2.493 5.547 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.803 7.799 -10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.244 8.439 -10.760 1.00 0.00 H new ATOM 781 N SER A 52 2.647 6.052 -8.451 1.00 0.00 N ATOM 782 CA SER A 52 2.238 5.594 -7.126 1.00 0.00 C ATOM 783 C SER A 52 3.266 4.623 -6.534 1.00 0.00 C ATOM 784 O SER A 52 4.161 4.176 -7.254 1.00 0.00 O ATOM 785 CB SER A 52 0.868 4.928 -7.266 1.00 0.00 C ATOM 786 OG SER A 52 0.940 3.836 -8.156 1.00 0.00 O ATOM 0 H SER A 52 3.332 5.444 -8.900 1.00 0.00 H new ATOM 0 HA SER A 52 2.176 6.439 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.521 4.588 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.139 5.653 -7.629 1.00 0.00 H new ATOM 0 HG SER A 52 1.454 4.094 -8.949 1.00 0.00 H new ATOM 792 N HIS A 53 3.123 4.243 -5.260 1.00 0.00 N ATOM 793 CA HIS A 53 3.871 3.135 -4.675 1.00 0.00 C ATOM 794 C HIS A 53 3.029 2.395 -3.638 1.00 0.00 C ATOM 795 O HIS A 53 2.062 2.939 -3.101 1.00 0.00 O ATOM 796 CB HIS A 53 5.174 3.622 -4.044 1.00 0.00 C ATOM 797 CG HIS A 53 5.009 4.698 -2.996 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.041 6.059 -3.220 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.804 4.502 -1.656 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.851 6.667 -2.038 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.729 5.761 -1.056 1.00 0.00 N ATOM 0 H HIS A 53 2.484 4.698 -4.608 1.00 0.00 H new ATOM 0 HA HIS A 53 4.117 2.443 -5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.683 2.770 -3.593 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.824 4.000 -4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.716 3.549 -1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.803 7.737 -1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.605 5.954 -0.062 1.00 0.00 H new ATOM 809 N TRP A 54 3.376 1.133 -3.384 1.00 0.00 N ATOM 810 CA TRP A 54 2.702 0.321 -2.385 1.00 0.00 C ATOM 811 C TRP A 54 3.253 0.667 -0.999 1.00 0.00 C ATOM 812 O TRP A 54 4.415 1.059 -0.880 1.00 0.00 O ATOM 813 CB TRP A 54 2.887 -1.166 -2.724 1.00 0.00 C ATOM 814 CG TRP A 54 2.103 -1.653 -3.913 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.544 -1.753 -5.191 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.714 -2.104 -3.941 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.534 -2.262 -5.993 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.361 -2.425 -5.285 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.289 -2.262 -2.964 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.942 -2.809 -5.639 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.604 -2.623 -3.313 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.938 -2.867 -4.653 1.00 0.00 C ATOM 0 H TRP A 54 4.133 0.650 -3.868 1.00 0.00 H new ATOM 0 HA TRP A 54 1.632 0.529 -2.382 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.946 -1.352 -2.906 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.604 -1.759 -1.854 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.531 -1.478 -5.532 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.644 -2.487 -6.982 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.043 -2.103 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.176 -3.058 -6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.359 -2.712 -2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.957 -3.098 -4.925 1.00 0.00 H new ATOM 833 N THR A 55 2.460 0.480 0.054 1.00 0.00 N ATOM 834 CA THR A 55 2.877 0.647 1.435 1.00 0.00 C ATOM 835 C THR A 55 2.349 -0.491 2.299 1.00 0.00 C ATOM 836 O THR A 55 1.508 -1.280 1.859 1.00 0.00 O ATOM 837 CB THR A 55 2.466 2.024 1.988 1.00 0.00 C ATOM 838 OG1 THR A 55 1.068 2.202 1.984 1.00 0.00 O ATOM 839 CG2 THR A 55 3.059 3.165 1.184 1.00 0.00 C ATOM 0 H THR A 55 1.483 0.200 -0.038 1.00 0.00 H new ATOM 0 HA THR A 55 3.966 0.608 1.465 1.00 0.00 H new ATOM 0 HB THR A 55 2.848 2.042 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.850 3.087 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.741 4.116 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.147 3.101 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.716 3.099 0.151 1.00 0.00 H new ATOM 847 N TYR A 56 2.855 -0.573 3.531 1.00 0.00 N ATOM 848 CA TYR A 56 2.476 -1.553 4.531 1.00 0.00 C ATOM 849 C TYR A 56 1.618 -0.840 5.577 1.00 0.00 C ATOM 850 O TYR A 56 2.125 -0.346 6.587 1.00 0.00 O ATOM 851 CB TYR A 56 3.753 -2.172 5.126 1.00 0.00 C ATOM 852 CG TYR A 56 3.545 -3.417 5.961 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.769 -4.483 5.472 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.216 -3.552 7.188 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.648 -5.671 6.214 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.130 -4.749 7.917 1.00 0.00 C ATOM 857 CZ TYR A 56 3.339 -5.816 7.434 1.00 0.00 C ATOM 858 OH TYR A 56 3.214 -6.966 8.148 1.00 0.00 O ATOM 0 H TYR A 56 3.570 0.073 3.866 1.00 0.00 H new ATOM 0 HA TYR A 56 1.890 -2.370 4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.434 -2.413 4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.247 -1.421 5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.264 -4.389 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.801 -2.730 7.573 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.025 -6.474 5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.669 -4.854 8.847 1.00 0.00 H new ATOM 0 HH TYR A 56 3.755 -6.906 8.963 1.00 0.00 H new ATOM 868 N MET A 57 0.317 -0.725 5.319 1.00 0.00 N ATOM 869 CA MET A 57 -0.642 -0.088 6.215 1.00 0.00 C ATOM 870 C MET A 57 -1.299 -1.146 7.083 1.00 0.00 C ATOM 871 O MET A 57 -2.192 -1.852 6.623 1.00 0.00 O ATOM 872 CB MET A 57 -1.728 0.671 5.440 1.00 0.00 C ATOM 873 CG MET A 57 -1.299 2.107 5.154 1.00 0.00 C ATOM 874 SD MET A 57 -2.667 3.234 4.792 1.00 0.00 S ATOM 875 CE MET A 57 -3.462 3.313 6.426 1.00 0.00 C ATOM 0 H MET A 57 -0.108 -1.080 4.462 1.00 0.00 H new ATOM 0 HA MET A 57 -0.099 0.630 6.830 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.936 0.157 4.502 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.654 0.673 6.014 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.748 2.487 6.014 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.610 2.107 4.309 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.413 2.781 6.394 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.812 2.851 7.169 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.638 4.355 6.695 1.00 0.00 H new ATOM 885 N GLY A 58 -0.872 -1.267 8.337 1.00 0.00 N ATOM 886 CA GLY A 58 -1.603 -2.050 9.319 1.00 0.00 C ATOM 887 C GLY A 58 -1.407 -3.553 9.171 1.00 0.00 C ATOM 888 O GLY A 58 -2.078 -4.304 9.874 1.00 0.00 O ATOM 0 H GLY A 58 -0.022 -0.831 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.289 -1.748 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.665 -1.821 9.236 1.00 0.00 H new ATOM 892 N GLY A 59 -0.519 -4.008 8.280 1.00 0.00 N ATOM 893 CA GLY A 59 -0.450 -5.399 7.868 1.00 0.00 C ATOM 894 C GLY A 59 -1.110 -5.627 6.509 1.00 0.00 C ATOM 895 O GLY A 59 -1.177 -6.777 6.068 1.00 0.00 O ATOM 0 H GLY A 59 0.173 -3.411 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.593 -5.712 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.937 -6.023 8.617 1.00 0.00 H new ATOM 899 N ASN A 60 -1.580 -4.569 5.834 1.00 0.00 N ATOM 900 CA ASN A 60 -2.275 -4.626 4.561 1.00 0.00 C ATOM 901 C ASN A 60 -1.390 -3.919 3.536 1.00 0.00 C ATOM 902 O ASN A 60 -0.747 -2.912 3.853 1.00 0.00 O ATOM 903 CB ASN A 60 -3.634 -3.913 4.667 1.00 0.00 C ATOM 904 CG ASN A 60 -4.344 -4.072 6.013 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.326 -5.114 6.659 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.027 -3.035 6.462 1.00 0.00 N ATOM 0 H ASN A 60 -1.477 -3.616 6.183 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.462 -5.659 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.486 -2.850 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.288 -4.291 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.537 -3.103 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.045 -2.166 5.928 1.00 0.00 H new ATOM 913 N TYR A 61 -1.367 -4.418 2.304 1.00 0.00 N ATOM 914 CA TYR A 61 -0.574 -3.866 1.221 1.00 0.00 C ATOM 915 C TYR A 61 -1.466 -2.906 0.459 1.00 0.00 C ATOM 916 O TYR A 61 -2.441 -3.347 -0.154 1.00 0.00 O ATOM 917 CB TYR A 61 -0.052 -4.986 0.312 1.00 0.00 C ATOM 918 CG TYR A 61 0.963 -5.890 0.983 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.170 -5.339 1.445 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.697 -7.254 1.200 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.113 -6.138 2.113 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.658 -8.070 1.825 1.00 0.00 C ATOM 923 CZ TYR A 61 2.870 -7.514 2.299 1.00 0.00 C ATOM 924 OH TYR A 61 3.814 -8.272 2.921 1.00 0.00 O ATOM 0 H TYR A 61 -1.912 -5.235 2.029 1.00 0.00 H new ATOM 0 HA TYR A 61 0.300 -3.341 1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.894 -5.589 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.400 -4.542 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.375 -4.291 1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.246 -7.676 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.026 -5.697 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.470 -9.127 1.944 1.00 0.00 H new ATOM 0 HH TYR A 61 3.380 -9.014 3.391 1.00 0.00 H new ATOM 934 N VAL A 62 -1.178 -1.604 0.486 1.00 0.00 N ATOM 935 CA VAL A 62 -2.092 -0.616 -0.083 1.00 0.00 C ATOM 936 C VAL A 62 -1.317 0.263 -1.059 1.00 0.00 C ATOM 937 O VAL A 62 -0.130 0.499 -0.855 1.00 0.00 O ATOM 938 CB VAL A 62 -2.841 0.125 1.045 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.385 -0.849 2.102 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.988 1.171 1.764 1.00 0.00 C ATOM 0 H VAL A 62 -0.328 -1.213 0.892 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.884 -1.081 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.660 0.636 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.906 -0.289 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.078 -1.547 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.558 -1.403 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.580 1.651 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.121 0.687 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.654 1.922 1.048 1.00 0.00 H new ATOM 950 N LEU A 63 -1.930 0.672 -2.167 1.00 0.00 N ATOM 951 CA LEU A 63 -1.274 1.437 -3.229 1.00 0.00 C ATOM 952 C LEU A 63 -1.689 2.892 -3.096 1.00 0.00 C ATOM 953 O LEU A 63 -2.890 3.170 -3.115 1.00 0.00 O ATOM 954 CB LEU A 63 -1.666 0.866 -4.597 1.00 0.00 C ATOM 955 CG LEU A 63 -1.003 1.583 -5.788 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.525 1.494 -5.757 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.525 0.969 -7.092 1.00 0.00 C ATOM 0 H LEU A 63 -2.913 0.479 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.190 1.367 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.400 -0.191 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.749 0.925 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.263 2.640 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.937 2.017 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.898 1.954 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.829 0.448 -5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.061 1.470 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.279 -0.093 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.607 1.092 -7.145 1.00 0.00 H new ATOM 969 N ILE A 64 -0.729 3.804 -2.953 1.00 0.00 N ATOM 970 CA ILE A 64 -0.979 5.223 -2.729 1.00 0.00 C ATOM 971 C ILE A 64 -0.267 6.047 -3.790 1.00 0.00 C ATOM 972 O ILE A 64 0.797 5.648 -4.268 1.00 0.00 O ATOM 973 CB ILE A 64 -0.561 5.635 -1.304 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.949 5.456 -1.045 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.404 4.862 -0.283 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.375 6.025 0.305 1.00 0.00 C ATOM 0 H ILE A 64 0.263 3.571 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.048 5.415 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.751 6.703 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.199 4.396 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.512 5.947 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.110 5.152 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.459 5.092 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.243 3.792 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.446 5.875 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.151 7.091 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.833 5.516 1.102 1.00 0.00 H new ATOM 988 N THR A 65 -0.822 7.199 -4.156 1.00 0.00 N ATOM 989 CA THR A 65 -0.099 8.131 -5.004 1.00 0.00 C ATOM 990 C THR A 65 0.960 8.799 -4.143 1.00 0.00 C ATOM 991 O THR A 65 0.668 9.222 -3.028 1.00 0.00 O ATOM 992 CB THR A 65 -1.055 9.154 -5.635 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.238 9.346 -4.894 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.465 8.695 -7.028 1.00 0.00 C ATOM 0 H THR A 65 -1.756 7.503 -3.882 1.00 0.00 H new ATOM 0 HA THR A 65 0.376 7.610 -5.835 1.00 0.00 H new ATOM 0 HB THR A 65 -0.505 10.095 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.925 9.740 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.143 9.427 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.579 8.599 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.967 7.730 -6.960 1.00 0.00 H new ATOM 1002 N ASP A 66 2.174 8.946 -4.664 1.00 0.00 N ATOM 1003 CA ASP A 66 3.207 9.746 -4.002 1.00 0.00 C ATOM 1004 C ASP A 66 2.786 11.211 -3.822 1.00 0.00 C ATOM 1005 O ASP A 66 3.239 11.905 -2.916 1.00 0.00 O ATOM 1006 CB ASP A 66 4.503 9.705 -4.812 1.00 0.00 C ATOM 1007 CG ASP A 66 4.409 10.486 -6.127 1.00 0.00 C ATOM 1008 OD1 ASP A 66 3.665 10.042 -7.033 1.00 0.00 O ATOM 1009 OD2 ASP A 66 5.119 11.505 -6.282 1.00 0.00 O ATOM 0 H ASP A 66 2.470 8.522 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 66 3.358 9.310 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.315 10.113 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.757 8.668 -5.029 1.00 0.00 H new ATOM 1014 N THR A 67 1.885 11.681 -4.671 1.00 0.00 N ATOM 1015 CA THR A 67 1.617 13.082 -4.948 1.00 0.00 C ATOM 1016 C THR A 67 0.136 13.401 -4.681 1.00 0.00 C ATOM 1017 O THR A 67 -0.435 14.304 -5.293 1.00 0.00 O ATOM 1018 CB THR A 67 2.184 13.359 -6.351 1.00 0.00 C ATOM 1019 OG1 THR A 67 2.235 14.740 -6.650 1.00 0.00 O ATOM 1020 CG2 THR A 67 1.480 12.575 -7.461 1.00 0.00 C ATOM 0 H THR A 67 1.288 11.059 -5.216 1.00 0.00 H new ATOM 0 HA THR A 67 2.116 13.785 -4.281 1.00 0.00 H new ATOM 0 HB THR A 67 3.209 12.991 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.403 15.169 -6.359 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.932 12.820 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.583 11.506 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.423 12.840 -7.479 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.490 12.636 -3.773 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.865 12.816 -3.304 1.00 0.00 C ATOM 1030 C GLU A 68 -2.176 11.841 -2.158 1.00 0.00 C ATOM 1031 O GLU A 68 -2.898 12.199 -1.229 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.815 12.614 -4.500 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.266 12.259 -4.201 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.139 13.434 -3.772 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.644 14.417 -3.181 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -6.358 13.359 -4.065 1.00 0.00 O ATOM 0 H GLU A 68 -0.028 11.842 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.001 13.822 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.809 13.530 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.400 11.826 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.704 11.805 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.286 11.504 -3.415 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.653 10.612 -2.216 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.916 9.543 -1.259 1.00 0.00 C ATOM 1045 C GLY A 69 -3.288 8.895 -1.418 1.00 0.00 C ATOM 1046 O GLY A 69 -3.799 8.299 -0.470 1.00 0.00 O ATOM 0 H GLY A 69 -1.013 10.329 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.148 8.776 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.829 9.943 -0.249 1.00 0.00 H new ATOM 1050 N LYS A 70 -3.900 9.017 -2.596 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.193 8.429 -2.920 1.00 0.00 C ATOM 1052 C LYS A 70 -5.077 6.915 -2.817 1.00 0.00 C ATOM 1053 O LYS A 70 -4.100 6.339 -3.291 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.633 8.861 -4.332 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.074 9.400 -4.391 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.025 8.508 -5.194 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.639 8.322 -6.669 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.541 9.584 -7.424 1.00 0.00 N ATOM 0 H LYS A 70 -3.496 9.543 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.952 8.777 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.951 9.630 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.544 8.010 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.457 9.505 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.063 10.397 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.071 7.528 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.028 8.933 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.682 7.803 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.377 7.679 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.277 9.380 -8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.459 10.072 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.817 10.192 -6.991 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.067 6.281 -2.207 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.137 4.859 -1.942 1.00 0.00 C ATOM 1074 C ILE A 71 -6.543 4.209 -3.250 1.00 0.00 C ATOM 1075 O ILE A 71 -7.729 4.060 -3.552 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.078 4.590 -0.744 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.404 5.247 0.486 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.310 3.086 -0.491 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.170 5.126 1.794 1.00 0.00 C ATOM 0 H ILE A 71 -6.889 6.778 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.187 4.424 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.065 5.006 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.418 4.801 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.249 6.305 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.978 2.959 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.760 2.633 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.357 2.601 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.611 5.619 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.146 5.599 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.302 4.073 2.042 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.537 3.891 -4.062 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.756 3.328 -5.377 1.00 0.00 C ATOM 1093 C LEU A 72 -6.270 1.901 -5.231 1.00 0.00 C ATOM 1094 O LEU A 72 -7.236 1.547 -5.902 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.481 3.380 -6.240 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.851 4.773 -6.451 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.799 4.700 -7.562 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.867 5.849 -6.851 1.00 0.00 C ATOM 0 H LEU A 72 -4.554 4.019 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.505 3.927 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.733 2.732 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.713 2.958 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.417 5.054 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.356 5.685 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.021 3.990 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.270 4.373 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.355 6.802 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.349 5.564 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.620 5.947 -6.069 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.613 1.066 -4.414 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.921 -0.360 -4.264 1.00 0.00 C ATOM 1112 C LYS A 73 -5.512 -0.832 -2.866 1.00 0.00 C ATOM 1113 O LYS A 73 -4.635 -0.210 -2.266 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.185 -1.166 -5.350 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.726 -0.872 -6.763 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.219 -1.867 -7.800 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.820 -1.572 -8.367 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.873 -0.493 -9.373 1.00 0.00 N ATOM 0 H LYS A 73 -4.836 1.371 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.993 -0.518 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.121 -0.932 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.284 -2.231 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.816 -0.896 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.434 0.136 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.209 -2.860 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.929 -1.898 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.148 -1.286 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.409 -2.475 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.922 -0.093 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.213 -0.878 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.521 0.253 -9.048 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.092 -1.929 -2.375 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.833 -2.546 -1.071 1.00 0.00 C ATOM 1134 C VAL A 74 -5.849 -4.064 -1.280 1.00 0.00 C ATOM 1135 O VAL A 74 -6.802 -4.599 -1.857 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.914 -2.129 -0.038 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.668 -2.702 1.376 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.055 -0.604 0.089 1.00 0.00 C ATOM 0 H VAL A 74 -6.796 -2.441 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.871 -2.218 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.834 -2.554 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.461 -2.370 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.662 -3.791 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.707 -2.349 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.824 -0.370 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.105 -0.176 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.336 -0.183 -0.876 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.820 -4.755 -0.788 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.772 -6.208 -0.684 1.00 0.00 C ATOM 1150 C TYR A 75 -4.363 -6.586 0.744 1.00 0.00 C ATOM 1151 O TYR A 75 -3.603 -5.857 1.386 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.795 -6.778 -1.722 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.355 -6.840 -3.135 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.087 -7.967 -3.541 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -4.183 -5.779 -4.040 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.638 -8.060 -4.827 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.747 -5.860 -5.329 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.483 -6.995 -5.731 1.00 0.00 C ATOM 1159 OH TYR A 75 -6.021 -7.083 -6.979 1.00 0.00 O ATOM 0 H TYR A 75 -3.974 -4.303 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.753 -6.635 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.891 -6.168 -1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.501 -7.782 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.229 -8.782 -2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.620 -4.904 -3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.180 -8.947 -5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.614 -5.041 -6.020 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.825 -6.263 -7.478 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.850 -7.719 1.255 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.453 -8.217 2.580 1.00 0.00 C ATOM 1171 C ASP A 76 -2.984 -8.676 2.586 1.00 0.00 C ATOM 1172 O ASP A 76 -2.446 -9.006 1.532 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.371 -9.367 3.022 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.104 -9.684 4.489 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -5.524 -8.885 5.349 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -4.353 -10.634 4.811 1.00 0.00 O ATOM 0 H ASP A 76 -5.523 -8.313 0.771 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.554 -7.395 3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.416 -9.089 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.190 -10.249 2.408 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.326 -8.730 3.751 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.969 -9.251 3.915 1.00 0.00 C ATOM 1183 C GLY A 77 -0.821 -10.723 3.543 1.00 0.00 C ATOM 1184 O GLY A 77 0.265 -11.113 3.111 1.00 0.00 O ATOM 0 H GLY A 77 -2.736 -8.403 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.288 -8.661 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.662 -9.116 4.952 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.882 -11.526 3.648 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.854 -12.959 3.357 1.00 0.00 C ATOM 1190 C GLU A 78 -1.351 -13.266 1.945 1.00 0.00 C ATOM 1191 O GLU A 78 -0.755 -14.323 1.712 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.255 -13.555 3.546 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.637 -13.797 5.010 1.00 0.00 C ATOM 1194 CD GLU A 78 -2.922 -14.998 5.645 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -1.991 -15.580 5.035 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -3.173 -15.248 6.848 1.00 0.00 O ATOM 0 H GLU A 78 -2.800 -11.192 3.943 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.152 -13.414 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.987 -12.885 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.313 -14.500 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.408 -12.902 5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.714 -13.951 5.074 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.541 -12.335 1.011 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.067 -12.433 -0.361 1.00 0.00 C ATOM 1205 C ILE A 79 0.446 -12.672 -0.439 1.00 0.00 C ATOM 1206 O ILE A 79 0.920 -13.256 -1.414 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.495 -11.160 -1.118 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.374 -11.374 -2.633 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.665 -9.928 -0.702 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.126 -10.314 -3.436 1.00 0.00 C ATOM 0 H ILE A 79 -2.044 -11.468 1.198 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.520 -13.304 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.535 -10.966 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.321 -11.360 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.760 -12.361 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.003 -9.056 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.793 -9.746 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.388 -10.110 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.007 -10.512 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.184 -10.344 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.723 -9.328 -3.204 1.00 0.00 H new ATOM 1222 N PHE A 80 1.211 -12.238 0.569 1.00 0.00 N ATOM 1223 CA PHE A 80 2.659 -12.364 0.569 1.00 0.00 C ATOM 1224 C PHE A 80 3.088 -13.834 0.547 1.00 0.00 C ATOM 1225 O PHE A 80 4.132 -14.156 -0.027 1.00 0.00 O ATOM 1226 CB PHE A 80 3.238 -11.656 1.801 1.00 0.00 C ATOM 1227 CG PHE A 80 4.755 -11.712 1.933 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.608 -11.602 0.815 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.322 -11.936 3.197 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.002 -11.714 0.968 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.710 -12.061 3.352 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.556 -11.948 2.237 1.00 0.00 C ATOM 0 H PHE A 80 0.836 -11.790 1.405 1.00 0.00 H new ATOM 0 HA PHE A 80 3.047 -11.893 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.931 -10.611 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.796 -12.097 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.188 -11.431 -0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.680 -12.013 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.648 -11.620 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.129 -12.244 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.626 -12.040 2.355 1.00 0.00 H new ATOM 1242 N TYR A 81 2.286 -14.725 1.127 1.00 0.00 N ATOM 1243 CA TYR A 81 2.641 -16.122 1.345 1.00 0.00 C ATOM 1244 C TYR A 81 2.036 -17.035 0.267 1.00 0.00 C ATOM 1245 O TYR A 81 2.191 -18.256 0.351 1.00 0.00 O ATOM 1246 CB TYR A 81 2.228 -16.522 2.772 1.00 0.00 C ATOM 1247 CG TYR A 81 2.716 -15.550 3.838 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.999 -15.682 4.408 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.901 -14.468 4.216 1.00 0.00 C ATOM 1250 CE1 TYR A 81 4.448 -14.748 5.363 1.00 0.00 C ATOM 1251 CE2 TYR A 81 2.355 -13.520 5.146 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.620 -13.672 5.750 1.00 0.00 C ATOM 1253 OH TYR A 81 4.052 -12.752 6.661 1.00 0.00 O ATOM 0 H TYR A 81 1.353 -14.489 1.465 1.00 0.00 H new ATOM 0 HA TYR A 81 3.720 -16.246 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.141 -16.589 2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.619 -17.516 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.639 -16.500 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.916 -14.366 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.429 -14.856 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.735 -12.673 5.399 1.00 0.00 H new ATOM 0 HH TYR A 81 3.352 -12.082 6.806 1.00 0.00 H new ATOM 1263 N HIS A 82 1.369 -16.460 -0.743 1.00 0.00 N ATOM 1264 CA HIS A 82 0.722 -17.148 -1.849 1.00 0.00 C ATOM 1265 C HIS A 82 1.784 -17.767 -2.780 1.00 0.00 C ATOM 1266 O HIS A 82 2.983 -17.732 -2.482 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.212 -16.117 -2.507 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.150 -16.618 -3.572 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.833 -17.817 -3.591 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.531 -15.899 -4.672 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.577 -17.830 -4.712 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.434 -16.679 -5.392 1.00 0.00 N ATOM 0 H HIS A 82 1.266 -15.447 -0.806 1.00 0.00 H new ATOM 0 HA HIS A 82 0.117 -18.000 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.809 -15.653 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.406 -15.332 -2.943 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -1.783 -18.554 -2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.193 -14.907 -4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.204 -18.653 -5.023 1.00 0.00 H new ATOM 1280 N ARG A 83 1.370 -18.410 -3.878 1.00 0.00 N ATOM 1281 CA ARG A 83 2.239 -19.269 -4.685 1.00 0.00 C ATOM 1282 C ARG A 83 2.365 -18.744 -6.096 1.00 0.00 C ATOM 1283 O ARG A 83 3.421 -18.970 -6.716 1.00 0.00 O ATOM 1284 CB ARG A 83 1.777 -20.739 -4.652 1.00 0.00 C ATOM 1285 CG ARG A 83 0.345 -21.003 -5.145 1.00 0.00 C ATOM 1286 CD ARG A 83 0.245 -22.367 -5.844 1.00 0.00 C ATOM 1287 NE ARG A 83 0.431 -23.515 -4.941 1.00 0.00 N ATOM 1288 CZ ARG A 83 0.525 -24.789 -5.346 1.00 0.00 C ATOM 1289 NH1 ARG A 83 0.424 -25.108 -6.634 1.00 0.00 N ATOM 1290 NH2 ARG A 83 0.700 -25.754 -4.450 1.00 0.00 N ATOM 0 H ARG A 83 0.416 -18.347 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 83 3.234 -19.245 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.464 -21.329 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.861 -21.103 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.345 -20.971 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.043 -20.214 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.731 -22.448 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.993 -22.415 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 83 0.492 -23.328 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.273 -24.378 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.498 -26.083 -6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.762 -25.524 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.772 -26.725 -4.754 1.00 0.00 H new TER 1304 ARG A 83