USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 11 LYS NZ :NH3+ 153:sc= -1.34 (180deg=-3.51!) USER MOD Set 1.2: A 51 SER OG : rot -170:sc= -0.0172 USER MOD Set 1.3: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.35) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 23 SER OG : rot 180:sc= -0.932 USER MOD Single : A 24 MET CE :methyl -135:sc= -1.06 (180deg=-1.55) USER MOD Single : A 29 GLN : amide:sc= 0.657 K(o=0.66,f=-0.059) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -150:sc= -1.29 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.58) USER MOD Single : A 48 TYR OH : rot -114:sc= 0.0725 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -0.367 (180deg=-0.455) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 0.0388 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.8!) USER MOD Single : A 82 SER OG : rot -171:sc=0.000535 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 178:sc= -0.919 (180deg=-0.955) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00341) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 9 -9.369 12.608 -2.719 1.00 0.00 N ATOM 12 CA ASP A 9 -8.826 11.263 -2.573 1.00 0.00 C ATOM 13 C ASP A 9 -8.744 10.867 -1.102 1.00 0.00 C ATOM 14 O ASP A 9 -8.069 11.523 -0.309 1.00 0.00 O ATOM 15 CB ASP A 9 -7.439 11.178 -3.214 1.00 0.00 C ATOM 16 CG ASP A 9 -7.082 9.766 -3.640 1.00 0.00 C ATOM 17 OD1 ASP A 9 -7.986 8.904 -3.657 1.00 0.00 O ATOM 18 OD2 ASP A 9 -5.899 9.523 -3.955 1.00 0.00 O ATOM 0 HA ASP A 9 -9.496 10.570 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.402 11.836 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.693 11.541 -2.507 1.00 0.00 H new ATOM 23 N ARG A 10 -9.437 9.791 -0.744 1.00 0.00 N ATOM 24 CA ARG A 10 -9.441 9.309 0.632 1.00 0.00 C ATOM 25 C ARG A 10 -8.958 7.864 0.705 1.00 0.00 C ATOM 26 O ARG A 10 -9.013 7.131 -0.282 1.00 0.00 O ATOM 27 CB ARG A 10 -10.844 9.420 1.231 1.00 0.00 C ATOM 28 CG ARG A 10 -11.926 8.780 0.374 1.00 0.00 C ATOM 29 CD ARG A 10 -12.973 9.794 -0.058 1.00 0.00 C ATOM 30 NE ARG A 10 -14.062 9.173 -0.807 1.00 0.00 N ATOM 31 CZ ARG A 10 -15.105 9.843 -1.293 1.00 0.00 C ATOM 32 NH1 ARG A 10 -15.202 11.154 -1.111 1.00 0.00 N ATOM 33 NH2 ARG A 10 -16.051 9.201 -1.963 1.00 0.00 N ATOM 0 H ARG A 10 -10.002 9.237 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.757 9.932 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.848 8.952 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.085 10.473 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.472 8.327 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.406 7.977 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.378 10.294 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.502 10.561 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.021 8.167 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.476 11.653 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.003 11.663 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.980 8.194 -2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.850 9.714 -2.335 1.00 0.00 H new ATOM 47 N LYS A 11 -8.483 7.464 1.879 1.00 0.00 N ATOM 48 CA LYS A 11 -7.987 6.107 2.080 1.00 0.00 C ATOM 49 C LYS A 11 -8.132 5.685 3.537 1.00 0.00 C ATOM 50 O LYS A 11 -8.031 6.509 4.443 1.00 0.00 O ATOM 51 CB LYS A 11 -6.521 6.012 1.655 1.00 0.00 C ATOM 52 CG LYS A 11 -5.629 7.051 2.317 1.00 0.00 C ATOM 53 CD LYS A 11 -4.661 6.413 3.301 1.00 0.00 C ATOM 54 CE LYS A 11 -3.256 6.327 2.724 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.271 5.845 3.732 1.00 0.00 N ATOM 0 H LYS A 11 -8.431 8.059 2.706 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.583 5.434 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.145 5.017 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.457 6.126 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.069 7.590 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.247 7.784 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.642 6.994 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.011 5.414 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.256 5.655 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.952 7.308 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.481 5.373 3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.909 6.653 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.734 5.172 4.376 1.00 0.00 H new ATOM 69 N LEU A 12 -8.385 4.399 3.756 1.00 0.00 N ATOM 70 CA LEU A 12 -8.563 3.877 5.098 1.00 0.00 C ATOM 71 C LEU A 12 -7.263 3.454 5.729 1.00 0.00 C ATOM 72 O LEU A 12 -6.380 2.882 5.090 1.00 0.00 O ATOM 73 CB LEU A 12 -9.530 2.709 5.070 1.00 0.00 C ATOM 74 CG LEU A 12 -10.933 3.149 4.723 1.00 0.00 C ATOM 75 CD1 LEU A 12 -11.353 2.612 3.362 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.923 2.738 5.802 1.00 0.00 C ATOM 0 H LEU A 12 -8.471 3.701 3.017 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.969 4.683 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.190 1.973 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.534 2.217 6.043 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.935 4.238 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.367 2.944 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.671 2.985 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.322 1.523 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.923 3.069 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.916 1.653 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.640 3.197 6.749 1.00 0.00 H new ATOM 88 N CYS A 13 -7.172 3.764 7.004 1.00 0.00 N ATOM 89 CA CYS A 13 -5.989 3.450 7.795 1.00 0.00 C ATOM 90 C CYS A 13 -6.358 2.677 9.057 1.00 0.00 C ATOM 91 O CYS A 13 -7.532 2.408 9.315 1.00 0.00 O ATOM 92 CB CYS A 13 -5.246 4.734 8.169 1.00 0.00 C ATOM 93 SG CYS A 13 -3.883 5.159 7.038 1.00 0.00 S ATOM 0 H CYS A 13 -7.909 4.239 7.525 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.337 2.821 7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.957 5.560 8.190 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.848 4.630 9.178 1.00 0.00 H new ATOM 98 N ALA A 14 -5.344 2.322 9.839 1.00 0.00 N ATOM 99 CA ALA A 14 -5.546 1.579 11.076 1.00 0.00 C ATOM 100 C ALA A 14 -5.841 2.516 12.247 1.00 0.00 C ATOM 101 O ALA A 14 -5.260 2.384 13.324 1.00 0.00 O ATOM 102 CB ALA A 14 -4.324 0.719 11.372 1.00 0.00 C ATOM 0 H ALA A 14 -4.368 2.539 9.635 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.413 0.931 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.483 0.167 12.298 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.166 0.017 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.447 1.357 11.476 1.00 0.00 H new ATOM 108 N ASP A 15 -6.754 3.460 12.031 1.00 0.00 N ATOM 109 CA ASP A 15 -7.130 4.416 13.069 1.00 0.00 C ATOM 110 C ASP A 15 -5.901 5.103 13.661 1.00 0.00 C ATOM 111 O ASP A 15 -4.769 4.817 13.271 1.00 0.00 O ATOM 112 CB ASP A 15 -7.916 3.713 14.176 1.00 0.00 C ATOM 113 CG ASP A 15 -9.000 4.595 14.765 1.00 0.00 C ATOM 114 OD1 ASP A 15 -8.909 5.831 14.609 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.939 4.050 15.382 1.00 0.00 O ATOM 0 H ASP A 15 -7.247 3.583 11.147 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.759 5.178 12.609 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.367 2.805 13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.231 3.407 14.967 1.00 0.00 H new ATOM 120 N GLN A 16 -6.136 6.006 14.607 1.00 0.00 N ATOM 121 CA GLN A 16 -5.055 6.736 15.261 1.00 0.00 C ATOM 122 C GLN A 16 -4.294 7.604 14.261 1.00 0.00 C ATOM 123 O GLN A 16 -4.511 8.813 14.185 1.00 0.00 O ATOM 124 CB GLN A 16 -4.097 5.764 15.955 1.00 0.00 C ATOM 125 CG GLN A 16 -2.941 6.450 16.665 1.00 0.00 C ATOM 126 CD GLN A 16 -3.118 6.481 18.171 1.00 0.00 C ATOM 127 OE1 GLN A 16 -3.486 5.480 18.785 1.00 0.00 O ATOM 128 NE2 GLN A 16 -2.858 7.635 18.774 1.00 0.00 N ATOM 0 H GLN A 16 -7.069 6.251 14.939 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.498 7.391 16.012 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.656 5.171 16.679 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.698 5.070 15.215 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.012 5.933 16.422 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.845 7.470 16.293 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.555 8.440 18.226 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.961 7.716 19.786 1.00 0.00 H new ATOM 137 N GLU A 17 -3.402 6.982 13.495 1.00 0.00 N ATOM 138 CA GLU A 17 -2.615 7.702 12.503 1.00 0.00 C ATOM 139 C GLU A 17 -1.855 6.735 11.601 1.00 0.00 C ATOM 140 O GLU A 17 -0.743 7.025 11.161 1.00 0.00 O ATOM 141 CB GLU A 17 -1.635 8.654 13.191 1.00 0.00 C ATOM 142 CG GLU A 17 -1.462 9.978 12.465 1.00 0.00 C ATOM 143 CD GLU A 17 -2.720 10.824 12.488 1.00 0.00 C ATOM 144 OE1 GLU A 17 -2.975 11.481 13.518 1.00 0.00 O ATOM 145 OE2 GLU A 17 -3.450 10.828 11.475 1.00 0.00 O ATOM 0 H GLU A 17 -3.207 5.982 13.543 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.301 8.282 11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.982 8.848 14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.664 8.165 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.645 10.536 12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.176 9.786 11.431 1.00 0.00 H new ATOM 152 N CYS A 18 -2.462 5.584 11.328 1.00 0.00 N ATOM 153 CA CYS A 18 -1.841 4.575 10.478 1.00 0.00 C ATOM 154 C CYS A 18 -0.510 4.112 11.064 1.00 0.00 C ATOM 155 O CYS A 18 0.446 3.854 10.333 1.00 0.00 O ATOM 156 CB CYS A 18 -1.629 5.130 9.067 1.00 0.00 C ATOM 157 SG CYS A 18 -2.314 4.082 7.744 1.00 0.00 S ATOM 0 H CYS A 18 -3.383 5.327 11.683 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.510 3.716 10.426 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.084 6.118 9.005 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.560 5.260 8.896 1.00 0.00 H new ATOM 162 N SER A 19 -0.457 4.010 12.388 1.00 0.00 N ATOM 163 CA SER A 19 0.756 3.579 13.074 1.00 0.00 C ATOM 164 C SER A 19 0.883 2.059 13.056 1.00 0.00 C ATOM 165 O SER A 19 1.966 1.519 12.830 1.00 0.00 O ATOM 166 CB SER A 19 0.759 4.086 14.517 1.00 0.00 C ATOM 167 OG SER A 19 1.970 3.755 15.173 1.00 0.00 O ATOM 0 H SER A 19 -1.240 4.220 13.007 1.00 0.00 H new ATOM 0 HA SER A 19 1.610 4.002 12.546 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.621 5.167 14.526 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.082 3.653 15.059 1.00 0.00 H new ATOM 0 HG SER A 19 1.946 4.092 16.093 1.00 0.00 H new ATOM 173 N HIS A 20 -0.231 1.374 13.298 1.00 0.00 N ATOM 174 CA HIS A 20 -0.243 -0.084 13.310 1.00 0.00 C ATOM 175 C HIS A 20 -0.586 -0.638 11.927 1.00 0.00 C ATOM 176 O HIS A 20 -1.477 -0.126 11.250 1.00 0.00 O ATOM 177 CB HIS A 20 -1.249 -0.597 14.342 1.00 0.00 C ATOM 178 CG HIS A 20 -1.086 0.023 15.695 1.00 0.00 C ATOM 179 ND1 HIS A 20 -1.981 0.930 16.221 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.124 -0.141 16.634 1.00 0.00 C ATOM 181 CE1 HIS A 20 -1.576 1.299 17.423 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.452 0.664 17.698 1.00 0.00 N ATOM 0 H HIS A 20 -1.136 1.805 13.488 1.00 0.00 H new ATOM 0 HA HIS A 20 0.755 -0.429 13.582 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.259 -0.402 13.981 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.146 -1.678 14.432 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.740 -0.785 16.560 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.079 2.001 18.071 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.086 0.756 18.560 1.00 0.00 H new ATOM 191 N PRO A 21 0.119 -1.697 11.487 1.00 0.00 N ATOM 192 CA PRO A 21 -0.120 -2.314 10.177 1.00 0.00 C ATOM 193 C PRO A 21 -1.581 -2.708 9.980 1.00 0.00 C ATOM 194 O PRO A 21 -2.426 -2.444 10.835 1.00 0.00 O ATOM 195 CB PRO A 21 0.771 -3.559 10.197 1.00 0.00 C ATOM 196 CG PRO A 21 1.842 -3.244 11.182 1.00 0.00 C ATOM 197 CD PRO A 21 1.201 -2.375 12.226 1.00 0.00 C ATOM 0 HA PRO A 21 0.104 -1.629 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.208 -4.444 10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.188 -3.763 9.211 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.244 -4.155 11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.674 -2.729 10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.813 -2.964 13.057 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.910 -1.661 12.646 1.00 0.00 H new ATOM 205 N ILE A 22 -1.870 -3.341 8.847 1.00 0.00 N ATOM 206 CA ILE A 22 -3.227 -3.773 8.536 1.00 0.00 C ATOM 207 C ILE A 22 -3.328 -5.291 8.522 1.00 0.00 C ATOM 208 O ILE A 22 -4.260 -5.873 9.074 1.00 0.00 O ATOM 209 CB ILE A 22 -3.696 -3.218 7.164 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.129 -2.689 7.272 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.595 -4.276 6.060 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.214 -1.178 7.306 1.00 0.00 C ATOM 0 H ILE A 22 -1.181 -3.566 8.129 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.875 -3.377 9.318 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.033 -2.397 6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.709 -3.059 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.589 -3.091 8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.932 -3.849 5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.559 -4.602 5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.222 -5.130 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.258 -0.874 7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.662 -0.802 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.783 -0.769 6.392 1.00 0.00 H new ATOM 224 N SER A 23 -2.374 -5.919 7.854 1.00 0.00 N ATOM 225 CA SER A 23 -2.354 -7.362 7.724 1.00 0.00 C ATOM 226 C SER A 23 -1.121 -7.807 6.956 1.00 0.00 C ATOM 227 O SER A 23 -0.205 -7.023 6.714 1.00 0.00 O ATOM 228 CB SER A 23 -3.621 -7.836 7.001 1.00 0.00 C ATOM 229 OG SER A 23 -3.727 -7.242 5.719 1.00 0.00 O ATOM 0 H SER A 23 -1.599 -5.445 7.391 1.00 0.00 H new ATOM 0 HA SER A 23 -2.322 -7.804 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.603 -8.921 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.499 -7.584 7.596 1.00 0.00 H new ATOM 0 HG SER A 23 -4.542 -7.561 5.277 1.00 0.00 H new ATOM 235 N MET A 24 -1.113 -9.070 6.578 1.00 0.00 N ATOM 236 CA MET A 24 0.004 -9.640 5.832 1.00 0.00 C ATOM 237 C MET A 24 -0.461 -10.198 4.492 1.00 0.00 C ATOM 238 O MET A 24 -1.548 -10.767 4.390 1.00 0.00 O ATOM 239 CB MET A 24 0.684 -10.741 6.643 1.00 0.00 C ATOM 240 CG MET A 24 2.146 -10.947 6.281 1.00 0.00 C ATOM 241 SD MET A 24 2.886 -12.342 7.152 1.00 0.00 S ATOM 242 CE MET A 24 1.988 -13.711 6.425 1.00 0.00 C ATOM 0 H MET A 24 -1.868 -9.727 6.774 1.00 0.00 H new ATOM 0 HA MET A 24 0.721 -8.841 5.645 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.611 -10.498 7.703 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.146 -11.677 6.493 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.231 -11.108 5.206 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.705 -10.041 6.513 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.674 -14.398 7.211 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.110 -13.333 5.901 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.633 -14.236 5.720 1.00 0.00 H new ATOM 252 N ALA A 25 0.371 -10.034 3.470 1.00 0.00 N ATOM 253 CA ALA A 25 0.047 -10.525 2.138 1.00 0.00 C ATOM 254 C ALA A 25 1.301 -10.945 1.385 1.00 0.00 C ATOM 255 O ALA A 25 2.243 -10.165 1.242 1.00 0.00 O ATOM 256 CB ALA A 25 -0.718 -9.471 1.354 1.00 0.00 C ATOM 0 H ALA A 25 1.274 -9.565 3.539 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.587 -11.405 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.952 -9.855 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.643 -9.229 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.108 -8.572 1.261 1.00 0.00 H new ATOM 262 N VAL A 26 1.304 -12.183 0.907 1.00 0.00 N ATOM 263 CA VAL A 26 2.443 -12.711 0.169 1.00 0.00 C ATOM 264 C VAL A 26 2.224 -12.609 -1.335 1.00 0.00 C ATOM 265 O VAL A 26 1.093 -12.656 -1.816 1.00 0.00 O ATOM 266 CB VAL A 26 2.717 -14.182 0.536 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.009 -14.661 -0.107 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.765 -14.359 2.046 1.00 0.00 C ATOM 0 H VAL A 26 0.531 -12.839 1.017 1.00 0.00 H new ATOM 0 HA VAL A 26 3.305 -12.106 0.448 1.00 0.00 H new ATOM 0 HB VAL A 26 1.899 -14.791 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.186 -15.702 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.929 -14.576 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.839 -14.049 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.960 -15.405 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.560 -13.739 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.810 -14.060 2.478 1.00 0.00 H new ATOM 278 N ALA A 27 3.319 -12.472 -2.071 1.00 0.00 N ATOM 279 CA ALA A 27 3.259 -12.365 -3.523 1.00 0.00 C ATOM 280 C ALA A 27 2.783 -13.668 -4.152 1.00 0.00 C ATOM 281 O ALA A 27 3.402 -14.717 -3.975 1.00 0.00 O ATOM 282 CB ALA A 27 4.621 -11.980 -4.079 1.00 0.00 C ATOM 0 H ALA A 27 4.262 -12.432 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 27 2.539 -11.586 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.562 -11.903 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.925 -11.019 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.353 -12.741 -3.808 1.00 0.00 H new ATOM 288 N LEU A 28 1.681 -13.595 -4.891 1.00 0.00 N ATOM 289 CA LEU A 28 1.127 -14.771 -5.551 1.00 0.00 C ATOM 290 C LEU A 28 1.793 -15.006 -6.908 1.00 0.00 C ATOM 291 O LEU A 28 1.446 -15.949 -7.618 1.00 0.00 O ATOM 292 CB LEU A 28 -0.384 -14.615 -5.732 1.00 0.00 C ATOM 293 CG LEU A 28 -1.128 -15.902 -6.095 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.004 -16.928 -4.977 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.590 -15.604 -6.391 1.00 0.00 C ATOM 0 H LEU A 28 1.155 -12.735 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 28 1.324 -15.636 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.806 -14.217 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.567 -13.875 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.673 -16.321 -6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.540 -17.836 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.048 -17.163 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.431 -16.521 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.105 -16.530 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.056 -15.161 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.657 -14.908 -7.227 1.00 0.00 H new ATOM 307 N GLN A 29 2.755 -14.149 -7.256 1.00 0.00 N ATOM 308 CA GLN A 29 3.477 -14.261 -8.516 1.00 0.00 C ATOM 309 C GLN A 29 4.288 -13.001 -8.789 1.00 0.00 C ATOM 310 O GLN A 29 4.200 -12.018 -8.054 1.00 0.00 O ATOM 311 CB GLN A 29 2.520 -14.520 -9.684 1.00 0.00 C ATOM 312 CG GLN A 29 1.325 -13.582 -9.711 1.00 0.00 C ATOM 313 CD GLN A 29 0.065 -14.257 -10.217 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.456 -13.907 -11.276 1.00 0.00 O ATOM 315 NE2 GLN A 29 -0.429 -15.231 -9.462 1.00 0.00 N ATOM 0 H GLN A 29 3.051 -13.365 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 29 4.156 -15.109 -8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.069 -14.423 -10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.163 -15.548 -9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.148 -13.196 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.554 -12.726 -10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.037 -15.488 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.274 -15.723 -9.753 1.00 0.00 H new ATOM 324 N ASP A 30 5.079 -13.042 -9.854 1.00 0.00 N ATOM 325 CA ASP A 30 5.912 -11.908 -10.235 1.00 0.00 C ATOM 326 C ASP A 30 5.059 -10.776 -10.796 1.00 0.00 C ATOM 327 O ASP A 30 4.015 -11.016 -11.403 1.00 0.00 O ATOM 328 CB ASP A 30 6.956 -12.337 -11.266 1.00 0.00 C ATOM 329 CG ASP A 30 7.966 -11.244 -11.555 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.561 -10.715 -10.593 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.163 -10.917 -12.745 1.00 0.00 O ATOM 0 H ASP A 30 5.161 -13.850 -10.471 1.00 0.00 H new ATOM 0 HA ASP A 30 6.424 -11.547 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.477 -13.223 -10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.454 -12.618 -12.192 1.00 0.00 H new ATOM 336 N TYR A 31 5.506 -9.543 -10.588 1.00 0.00 N ATOM 337 CA TYR A 31 4.776 -8.379 -11.075 1.00 0.00 C ATOM 338 C TYR A 31 5.679 -7.148 -11.136 1.00 0.00 C ATOM 339 O TYR A 31 5.700 -6.333 -10.212 1.00 0.00 O ATOM 340 CB TYR A 31 3.567 -8.109 -10.172 1.00 0.00 C ATOM 341 CG TYR A 31 2.918 -6.760 -10.391 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.210 -6.487 -11.554 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.015 -5.762 -9.431 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.616 -5.255 -11.754 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.425 -4.528 -9.623 1.00 0.00 C ATOM 346 CZ TYR A 31 1.727 -4.279 -10.786 1.00 0.00 C ATOM 347 OH TYR A 31 1.137 -3.052 -10.981 1.00 0.00 O ATOM 0 H TYR A 31 6.367 -9.324 -10.087 1.00 0.00 H new ATOM 0 HA TYR A 31 4.429 -8.589 -12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.823 -8.889 -10.337 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.881 -8.184 -9.131 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.122 -7.249 -12.314 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.561 -5.954 -8.519 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.068 -5.058 -12.663 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.510 -3.762 -8.866 1.00 0.00 H new ATOM 0 HH TYR A 31 1.309 -2.479 -10.204 1.00 0.00 H new ATOM 357 N MET A 32 6.427 -7.024 -12.228 1.00 0.00 N ATOM 358 CA MET A 32 7.327 -5.913 -12.419 1.00 0.00 C ATOM 359 C MET A 32 6.560 -4.601 -12.545 1.00 0.00 C ATOM 360 O MET A 32 6.333 -4.110 -13.650 1.00 0.00 O ATOM 361 CB MET A 32 8.192 -6.137 -13.661 1.00 0.00 C ATOM 362 CG MET A 32 9.544 -6.762 -13.356 1.00 0.00 C ATOM 363 SD MET A 32 10.037 -7.988 -14.582 1.00 0.00 S ATOM 364 CE MET A 32 11.388 -8.798 -13.729 1.00 0.00 C ATOM 0 H MET A 32 6.420 -7.693 -12.998 1.00 0.00 H new ATOM 0 HA MET A 32 7.973 -5.848 -11.543 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.653 -6.779 -14.358 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.347 -5.182 -14.162 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.300 -5.978 -13.308 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.509 -7.231 -12.373 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.799 -9.584 -14.362 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.166 -8.069 -13.505 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.022 -9.235 -12.800 1.00 0.00 H new ATOM 374 N ALA A 33 6.156 -4.044 -11.403 1.00 0.00 N ATOM 375 CA ALA A 33 5.406 -2.799 -11.363 1.00 0.00 C ATOM 376 C ALA A 33 5.902 -1.796 -12.405 1.00 0.00 C ATOM 377 O ALA A 33 6.900 -1.107 -12.188 1.00 0.00 O ATOM 378 CB ALA A 33 5.480 -2.190 -9.972 1.00 0.00 C ATOM 0 H ALA A 33 6.341 -4.446 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 33 4.369 -3.033 -11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.915 -1.258 -9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.057 -2.886 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.521 -1.989 -9.718 1.00 0.00 H new ATOM 384 N PRO A 34 5.211 -1.700 -13.557 1.00 0.00 N ATOM 385 CA PRO A 34 5.589 -0.780 -14.628 1.00 0.00 C ATOM 386 C PRO A 34 5.081 0.638 -14.382 1.00 0.00 C ATOM 387 O PRO A 34 4.386 1.214 -15.219 1.00 0.00 O ATOM 388 CB PRO A 34 4.904 -1.389 -15.849 1.00 0.00 C ATOM 389 CG PRO A 34 3.671 -2.025 -15.303 1.00 0.00 C ATOM 390 CD PRO A 34 4.008 -2.483 -13.906 1.00 0.00 C ATOM 0 HA PRO A 34 6.670 -0.677 -14.726 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.663 -0.627 -16.591 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.545 -2.121 -16.340 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.843 -1.317 -15.290 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.361 -2.866 -15.923 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.189 -2.288 -13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.205 -3.555 -13.873 1.00 0.00 H new ATOM 398 N ASP A 35 5.434 1.197 -13.230 1.00 0.00 N ATOM 399 CA ASP A 35 5.013 2.548 -12.876 1.00 0.00 C ATOM 400 C ASP A 35 6.189 3.368 -12.354 1.00 0.00 C ATOM 401 O ASP A 35 6.414 3.451 -11.146 1.00 0.00 O ATOM 402 CB ASP A 35 3.903 2.498 -11.825 1.00 0.00 C ATOM 403 CG ASP A 35 2.650 1.816 -12.338 1.00 0.00 C ATOM 404 OD1 ASP A 35 1.889 2.460 -13.089 1.00 0.00 O ATOM 405 OD2 ASP A 35 2.431 0.637 -11.989 1.00 0.00 O ATOM 0 H ASP A 35 6.010 0.736 -12.526 1.00 0.00 H new ATOM 0 HA ASP A 35 4.631 3.030 -13.776 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.265 1.970 -10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.658 3.513 -11.511 1.00 0.00 H new ATOM 410 N CYS A 36 6.935 3.972 -13.273 1.00 0.00 N ATOM 411 CA CYS A 36 8.087 4.788 -12.906 1.00 0.00 C ATOM 412 C CYS A 36 9.123 3.959 -12.152 1.00 0.00 C ATOM 413 O CYS A 36 9.796 4.459 -11.251 1.00 0.00 O ATOM 414 CB CYS A 36 7.645 5.976 -12.049 1.00 0.00 C ATOM 415 SG CYS A 36 6.169 6.840 -12.680 1.00 0.00 S ATOM 0 H CYS A 36 6.763 3.912 -14.277 1.00 0.00 H new ATOM 0 HA CYS A 36 8.544 5.161 -13.823 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.443 5.625 -11.037 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.468 6.687 -11.981 1.00 0.00 H new ATOM 0 HG CYS A 36 5.872 7.827 -11.888 1.00 0.00 H new ATOM 420 N ARG A 37 9.245 2.691 -12.528 1.00 0.00 N ATOM 421 CA ARG A 37 10.200 1.793 -11.888 1.00 0.00 C ATOM 422 C ARG A 37 9.908 1.663 -10.395 1.00 0.00 C ATOM 423 O ARG A 37 10.769 1.935 -9.558 1.00 0.00 O ATOM 424 CB ARG A 37 11.628 2.298 -12.102 1.00 0.00 C ATOM 425 CG ARG A 37 12.691 1.234 -11.877 1.00 0.00 C ATOM 426 CD ARG A 37 13.907 1.802 -11.163 1.00 0.00 C ATOM 427 NE ARG A 37 14.700 2.665 -12.033 1.00 0.00 N ATOM 428 CZ ARG A 37 15.558 2.213 -12.944 1.00 0.00 C ATOM 429 NH1 ARG A 37 15.736 0.907 -13.106 1.00 0.00 N ATOM 430 NH2 ARG A 37 16.240 3.067 -13.695 1.00 0.00 N ATOM 0 H ARG A 37 8.695 2.262 -13.272 1.00 0.00 H new ATOM 0 HA ARG A 37 10.100 0.808 -12.345 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.720 2.682 -13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.814 3.134 -11.427 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.271 0.418 -11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.994 0.813 -12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.583 2.368 -10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.529 0.984 -10.800 1.00 0.00 H new ATOM 0 HE ARG A 37 14.590 3.674 -11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.214 0.246 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.395 0.565 -13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.107 4.071 -13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.898 2.720 -14.393 1.00 0.00 H new ATOM 444 N PHE A 38 8.689 1.245 -10.070 1.00 0.00 N ATOM 445 CA PHE A 38 8.284 1.080 -8.678 1.00 0.00 C ATOM 446 C PHE A 38 8.838 -0.220 -8.102 1.00 0.00 C ATOM 447 O PHE A 38 9.695 -0.864 -8.706 1.00 0.00 O ATOM 448 CB PHE A 38 6.758 1.102 -8.565 1.00 0.00 C ATOM 449 CG PHE A 38 6.229 2.293 -7.818 1.00 0.00 C ATOM 450 CD1 PHE A 38 6.620 2.538 -6.511 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.341 3.169 -8.423 1.00 0.00 C ATOM 452 CE1 PHE A 38 6.135 3.633 -5.822 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.854 4.266 -7.738 1.00 0.00 C ATOM 454 CZ PHE A 38 5.251 4.499 -6.436 1.00 0.00 C ATOM 0 H PHE A 38 7.965 1.014 -10.750 1.00 0.00 H new ATOM 0 HA PHE A 38 8.693 1.910 -8.102 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.327 1.091 -9.566 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.426 0.192 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.312 1.865 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.026 2.992 -9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.447 3.812 -4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.163 4.941 -8.221 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.871 5.356 -5.899 1.00 0.00 H new ATOM 464 N LEU A 39 8.340 -0.600 -6.929 1.00 0.00 N ATOM 465 CA LEU A 39 8.785 -1.823 -6.270 1.00 0.00 C ATOM 466 C LEU A 39 8.075 -3.043 -6.848 1.00 0.00 C ATOM 467 O LEU A 39 6.915 -3.306 -6.531 1.00 0.00 O ATOM 468 CB LEU A 39 8.530 -1.736 -4.765 1.00 0.00 C ATOM 469 CG LEU A 39 9.525 -2.505 -3.894 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.926 -1.936 -4.054 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.096 -2.468 -2.435 1.00 0.00 C ATOM 0 H LEU A 39 7.629 -0.079 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 39 9.855 -1.932 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.547 -0.687 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.527 -2.109 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 39 9.538 -3.544 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.620 -2.496 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.234 -2.015 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.930 -0.888 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.815 -3.020 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.054 -1.433 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.111 -2.924 -2.334 1.00 0.00 H new ATOM 483 N THR A 40 8.779 -3.784 -7.698 1.00 0.00 N ATOM 484 CA THR A 40 8.215 -4.977 -8.320 1.00 0.00 C ATOM 485 C THR A 40 7.977 -6.074 -7.289 1.00 0.00 C ATOM 486 O THR A 40 8.599 -6.089 -6.227 1.00 0.00 O ATOM 487 CB THR A 40 9.141 -5.497 -9.423 1.00 0.00 C ATOM 488 OG1 THR A 40 8.785 -6.816 -9.795 1.00 0.00 O ATOM 489 CG2 THR A 40 10.598 -5.520 -9.025 1.00 0.00 C ATOM 0 H THR A 40 9.740 -3.580 -7.972 1.00 0.00 H new ATOM 0 HA THR A 40 7.257 -4.700 -8.759 1.00 0.00 H new ATOM 0 HB THR A 40 9.017 -4.800 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.583 -7.297 -10.099 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.196 -5.899 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.923 -4.510 -8.776 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.728 -6.167 -8.158 1.00 0.00 H new ATOM 497 N ILE A 41 7.077 -6.993 -7.616 1.00 0.00 N ATOM 498 CA ILE A 41 6.755 -8.102 -6.727 1.00 0.00 C ATOM 499 C ILE A 41 7.201 -9.428 -7.337 1.00 0.00 C ATOM 500 O ILE A 41 7.118 -9.620 -8.550 1.00 0.00 O ATOM 501 CB ILE A 41 5.244 -8.160 -6.425 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.758 -6.810 -5.894 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.941 -9.267 -5.424 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.280 -6.571 -6.111 1.00 0.00 C ATOM 0 H ILE A 41 6.556 -6.992 -8.493 1.00 0.00 H new ATOM 0 HA ILE A 41 7.291 -7.935 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 41 4.713 -8.381 -7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.975 -6.749 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.322 -6.014 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.870 -9.293 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.256 -10.226 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.480 -9.076 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.006 -5.595 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.060 -6.599 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.707 -7.346 -5.602 1.00 0.00 H new ATOM 516 N HIS A 42 7.679 -10.338 -6.493 1.00 0.00 N ATOM 517 CA HIS A 42 8.141 -11.641 -6.958 1.00 0.00 C ATOM 518 C HIS A 42 7.583 -12.767 -6.092 1.00 0.00 C ATOM 519 O HIS A 42 7.314 -12.579 -4.907 1.00 0.00 O ATOM 520 CB HIS A 42 9.671 -11.690 -6.957 1.00 0.00 C ATOM 521 CG HIS A 42 10.249 -12.326 -8.183 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.083 -11.659 -9.055 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.110 -13.577 -8.682 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.432 -12.471 -10.037 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.855 -13.640 -9.835 1.00 0.00 N ATOM 0 H HIS A 42 7.756 -10.197 -5.486 1.00 0.00 H new ATOM 0 HA HIS A 42 7.777 -11.783 -7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.059 -10.675 -6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.008 -12.240 -6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.523 -14.376 -8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.079 -12.220 -10.864 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.947 -14.458 -10.437 1.00 0.00 H new ATOM 534 N ARG A 43 7.410 -13.940 -6.699 1.00 0.00 N ATOM 535 CA ARG A 43 6.881 -15.107 -5.997 1.00 0.00 C ATOM 536 C ARG A 43 7.538 -15.294 -4.634 1.00 0.00 C ATOM 537 O ARG A 43 8.615 -14.760 -4.366 1.00 0.00 O ATOM 538 CB ARG A 43 7.092 -16.370 -6.835 1.00 0.00 C ATOM 539 CG ARG A 43 5.884 -16.774 -7.664 1.00 0.00 C ATOM 540 CD ARG A 43 4.631 -16.904 -6.811 1.00 0.00 C ATOM 541 NE ARG A 43 4.801 -17.876 -5.733 1.00 0.00 N ATOM 542 CZ ARG A 43 3.790 -18.480 -5.112 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.536 -18.210 -5.451 1.00 0.00 N ATOM 544 NH2 ARG A 43 4.034 -19.355 -4.147 1.00 0.00 N ATOM 0 H ARG A 43 7.630 -14.107 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 43 5.815 -14.936 -5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.940 -16.213 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.356 -17.194 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.716 -16.034 -8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.085 -17.723 -8.161 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.379 -15.932 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.793 -17.204 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 43 5.750 -18.105 -5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.342 -17.536 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.766 -18.676 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.996 -19.565 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.260 -19.818 -3.671 1.00 0.00 H new ATOM 558 N GLY A 44 6.876 -16.073 -3.784 1.00 0.00 N ATOM 559 CA GLY A 44 7.392 -16.351 -2.453 1.00 0.00 C ATOM 560 C GLY A 44 7.937 -15.122 -1.747 1.00 0.00 C ATOM 561 O GLY A 44 8.990 -15.182 -1.113 1.00 0.00 O ATOM 0 H GLY A 44 5.984 -16.521 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.597 -16.786 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.182 -17.098 -2.527 1.00 0.00 H new ATOM 565 N GLN A 45 7.219 -14.011 -1.851 1.00 0.00 N ATOM 566 CA GLN A 45 7.641 -12.772 -1.210 1.00 0.00 C ATOM 567 C GLN A 45 6.525 -12.207 -0.339 1.00 0.00 C ATOM 568 O GLN A 45 5.524 -11.701 -0.845 1.00 0.00 O ATOM 569 CB GLN A 45 8.058 -11.742 -2.261 1.00 0.00 C ATOM 570 CG GLN A 45 9.007 -10.683 -1.726 1.00 0.00 C ATOM 571 CD GLN A 45 9.625 -9.844 -2.828 1.00 0.00 C ATOM 572 OE1 GLN A 45 10.845 -9.810 -2.988 1.00 0.00 O ATOM 573 NE2 GLN A 45 8.783 -9.161 -3.594 1.00 0.00 N ATOM 0 H GLN A 45 6.344 -13.942 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 45 8.498 -12.994 -0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.534 -12.258 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.166 -11.254 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.468 -10.032 -1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.799 -11.166 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.779 -9.219 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.140 -8.578 -4.351 1.00 0.00 H new ATOM 582 N VAL A 46 6.705 -12.297 0.974 1.00 0.00 N ATOM 583 CA VAL A 46 5.715 -11.794 1.915 1.00 0.00 C ATOM 584 C VAL A 46 5.685 -10.271 1.908 1.00 0.00 C ATOM 585 O VAL A 46 6.674 -9.623 1.566 1.00 0.00 O ATOM 586 CB VAL A 46 5.997 -12.296 3.343 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.942 -11.787 4.315 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.070 -13.817 3.370 1.00 0.00 C ATOM 0 H VAL A 46 7.528 -12.714 1.409 1.00 0.00 H new ATOM 0 HA VAL A 46 4.743 -12.172 1.597 1.00 0.00 H new ATOM 0 HB VAL A 46 6.963 -11.902 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.163 -12.155 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.947 -10.697 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.960 -12.144 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.270 -14.154 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.122 -14.233 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.871 -14.155 2.712 1.00 0.00 H new ATOM 598 N VAL A 47 4.545 -9.704 2.287 1.00 0.00 N ATOM 599 CA VAL A 47 4.378 -8.273 2.323 1.00 0.00 C ATOM 600 C VAL A 47 3.394 -7.862 3.416 1.00 0.00 C ATOM 601 O VAL A 47 2.510 -8.633 3.787 1.00 0.00 O ATOM 602 CB VAL A 47 3.883 -7.722 0.969 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.165 -6.234 0.835 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.493 -8.494 -0.192 1.00 0.00 C ATOM 0 H VAL A 47 3.719 -10.229 2.575 1.00 0.00 H new ATOM 0 HA VAL A 47 5.359 -7.849 2.538 1.00 0.00 H new ATOM 0 HB VAL A 47 2.802 -7.858 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.803 -5.881 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.656 -5.694 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.239 -6.059 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.127 -8.085 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.579 -8.407 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.211 -9.544 -0.119 1.00 0.00 H new ATOM 614 N TYR A 48 3.551 -6.646 3.927 1.00 0.00 N ATOM 615 CA TYR A 48 2.675 -6.134 4.974 1.00 0.00 C ATOM 616 C TYR A 48 1.973 -4.858 4.519 1.00 0.00 C ATOM 617 O TYR A 48 2.595 -3.800 4.415 1.00 0.00 O ATOM 618 CB TYR A 48 3.474 -5.862 6.250 1.00 0.00 C ATOM 619 CG TYR A 48 4.023 -7.111 6.901 1.00 0.00 C ATOM 620 CD1 TYR A 48 5.268 -7.615 6.543 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.297 -7.787 7.874 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.772 -8.756 7.136 1.00 0.00 C ATOM 623 CE2 TYR A 48 3.795 -8.929 8.471 1.00 0.00 C ATOM 624 CZ TYR A 48 5.033 -9.410 8.099 1.00 0.00 C ATOM 625 OH TYR A 48 5.532 -10.546 8.692 1.00 0.00 O ATOM 0 H TYR A 48 4.279 -5.995 3.632 1.00 0.00 H new ATOM 0 HA TYR A 48 1.918 -6.891 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.301 -5.192 6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.836 -5.341 6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.850 -7.106 5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.327 -7.413 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.741 -9.135 6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.218 -9.443 9.225 1.00 0.00 H new ATOM 0 HH TYR A 48 4.974 -11.314 8.448 1.00 0.00 H new ATOM 635 N VAL A 49 0.676 -4.963 4.247 1.00 0.00 N ATOM 636 CA VAL A 49 -0.108 -3.817 3.803 1.00 0.00 C ATOM 637 C VAL A 49 -0.294 -2.810 4.932 1.00 0.00 C ATOM 638 O VAL A 49 -0.663 -3.174 6.049 1.00 0.00 O ATOM 639 CB VAL A 49 -1.492 -4.253 3.283 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.238 -3.069 2.686 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.349 -5.372 2.262 1.00 0.00 C ATOM 0 H VAL A 49 0.146 -5.831 4.327 1.00 0.00 H new ATOM 0 HA VAL A 49 0.446 -3.348 2.990 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.073 -4.630 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.212 -3.398 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.373 -2.302 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.663 -2.658 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.336 -5.668 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.749 -5.023 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.860 -6.228 2.727 1.00 0.00 H new ATOM 651 N PHE A 50 -0.033 -1.542 4.633 1.00 0.00 N ATOM 652 CA PHE A 50 -0.167 -0.480 5.622 1.00 0.00 C ATOM 653 C PHE A 50 -1.311 0.466 5.264 1.00 0.00 C ATOM 654 O PHE A 50 -1.897 1.102 6.141 1.00 0.00 O ATOM 655 CB PHE A 50 1.143 0.304 5.738 1.00 0.00 C ATOM 656 CG PHE A 50 1.904 0.018 7.001 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.806 -1.034 7.059 1.00 0.00 C ATOM 658 CD2 PHE A 50 1.719 0.801 8.129 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.508 -1.299 8.219 1.00 0.00 C ATOM 660 CE2 PHE A 50 2.418 0.540 9.293 1.00 0.00 C ATOM 661 CZ PHE A 50 3.314 -0.511 9.338 1.00 0.00 C ATOM 0 H PHE A 50 0.273 -1.225 3.713 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.395 -0.942 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.775 0.069 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.924 1.371 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.961 -1.653 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.021 1.625 8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.208 -2.121 8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.264 1.157 10.166 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.862 -0.716 10.246 1.00 0.00 H new ATOM 671 N SER A 51 -1.625 0.557 3.975 1.00 0.00 N ATOM 672 CA SER A 51 -2.700 1.430 3.516 1.00 0.00 C ATOM 673 C SER A 51 -3.297 0.925 2.208 1.00 0.00 C ATOM 674 O SER A 51 -2.604 0.319 1.392 1.00 0.00 O ATOM 675 CB SER A 51 -2.180 2.858 3.334 1.00 0.00 C ATOM 676 OG SER A 51 -1.461 2.988 2.120 1.00 0.00 O ATOM 0 H SER A 51 -1.153 0.040 3.233 1.00 0.00 H new ATOM 0 HA SER A 51 -3.483 1.426 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.017 3.557 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.536 3.123 4.172 1.00 0.00 H new ATOM 0 HG SER A 51 -1.008 3.857 2.100 1.00 0.00 H new ATOM 682 N LYS A 52 -4.587 1.178 2.016 1.00 0.00 N ATOM 683 CA LYS A 52 -5.278 0.750 0.805 1.00 0.00 C ATOM 684 C LYS A 52 -6.215 1.843 0.299 1.00 0.00 C ATOM 685 O LYS A 52 -7.418 1.810 0.556 1.00 0.00 O ATOM 686 CB LYS A 52 -6.068 -0.533 1.071 1.00 0.00 C ATOM 687 CG LYS A 52 -5.284 -1.582 1.842 1.00 0.00 C ATOM 688 CD LYS A 52 -6.206 -2.605 2.487 1.00 0.00 C ATOM 689 CE LYS A 52 -6.421 -2.310 3.962 1.00 0.00 C ATOM 690 NZ LYS A 52 -6.737 -0.873 4.200 1.00 0.00 N ATOM 0 H LYS A 52 -5.175 1.677 2.683 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.529 0.555 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.971 -0.285 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.387 -0.957 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.592 -2.088 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.683 -1.096 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.166 -2.607 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.781 -3.602 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.234 -2.928 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.526 -2.583 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.042 -0.743 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.890 -0.297 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.500 -0.575 3.560 1.00 0.00 H new ATOM 704 N LEU A 53 -5.656 2.808 -0.426 1.00 0.00 N ATOM 705 CA LEU A 53 -6.446 3.908 -0.970 1.00 0.00 C ATOM 706 C LEU A 53 -7.302 3.431 -2.138 1.00 0.00 C ATOM 707 O LEU A 53 -6.837 2.678 -2.993 1.00 0.00 O ATOM 708 CB LEU A 53 -5.527 5.045 -1.425 1.00 0.00 C ATOM 709 CG LEU A 53 -6.248 6.305 -1.907 1.00 0.00 C ATOM 710 CD1 LEU A 53 -5.590 7.552 -1.334 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.265 6.361 -3.427 1.00 0.00 C ATOM 0 H LEU A 53 -4.662 2.851 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.106 4.277 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.870 5.314 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.891 4.678 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.278 6.268 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.118 8.437 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.631 7.517 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.550 7.596 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.782 7.264 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.242 6.374 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.784 5.485 -3.818 1.00 0.00 H new ATOM 723 N LYS A 54 -8.556 3.871 -2.168 1.00 0.00 N ATOM 724 CA LYS A 54 -9.474 3.482 -3.231 1.00 0.00 C ATOM 725 C LYS A 54 -10.167 4.700 -3.833 1.00 0.00 C ATOM 726 O LYS A 54 -9.790 5.839 -3.558 1.00 0.00 O ATOM 727 CB LYS A 54 -10.515 2.497 -2.698 1.00 0.00 C ATOM 728 CG LYS A 54 -9.903 1.313 -1.970 1.00 0.00 C ATOM 729 CD LYS A 54 -10.935 0.231 -1.698 1.00 0.00 C ATOM 730 CE LYS A 54 -10.275 -1.105 -1.394 1.00 0.00 C ATOM 731 NZ LYS A 54 -10.039 -1.288 0.065 1.00 0.00 N ATOM 0 H LYS A 54 -8.959 4.496 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.893 2.998 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.189 3.022 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.118 2.132 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.089 0.899 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.469 1.649 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.562 0.528 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.590 0.126 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.905 -1.914 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.326 -1.171 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.274 -1.978 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.769 -0.378 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.909 -1.636 0.516 1.00 0.00 H new ATOM 745 N GLY A 55 -11.175 4.450 -4.663 1.00 0.00 N ATOM 746 CA GLY A 55 -11.896 5.537 -5.300 1.00 0.00 C ATOM 747 C GLY A 55 -11.035 6.300 -6.290 1.00 0.00 C ATOM 748 O GLY A 55 -11.419 7.374 -6.754 1.00 0.00 O ATOM 0 H GLY A 55 -11.505 3.516 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.770 5.137 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.262 6.223 -4.536 1.00 0.00 H new ATOM 752 N ARG A 56 -9.870 5.742 -6.615 1.00 0.00 N ATOM 753 CA ARG A 56 -8.946 6.371 -7.556 1.00 0.00 C ATOM 754 C ARG A 56 -7.622 5.612 -7.603 1.00 0.00 C ATOM 755 O ARG A 56 -6.964 5.560 -8.642 1.00 0.00 O ATOM 756 CB ARG A 56 -8.694 7.834 -7.174 1.00 0.00 C ATOM 757 CG ARG A 56 -8.895 8.804 -8.328 1.00 0.00 C ATOM 758 CD ARG A 56 -9.811 9.954 -7.939 1.00 0.00 C ATOM 759 NE ARG A 56 -10.442 10.569 -9.106 1.00 0.00 N ATOM 760 CZ ARG A 56 -11.406 11.483 -9.033 1.00 0.00 C ATOM 761 NH1 ARG A 56 -11.854 11.893 -7.852 1.00 0.00 N ATOM 762 NH2 ARG A 56 -11.924 11.990 -10.143 1.00 0.00 N ATOM 0 H ARG A 56 -9.543 4.852 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.404 6.340 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.362 8.109 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.675 7.933 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.930 9.198 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.318 8.273 -9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.582 9.590 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.238 10.707 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.124 10.280 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.459 11.507 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.593 12.594 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.583 11.679 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.663 12.691 -10.087 1.00 0.00 H new ATOM 776 N GLY A 57 -7.235 5.026 -6.471 1.00 0.00 N ATOM 777 CA GLY A 57 -5.991 4.283 -6.412 1.00 0.00 C ATOM 778 C GLY A 57 -6.168 2.885 -5.854 1.00 0.00 C ATOM 779 O GLY A 57 -5.212 2.277 -5.371 1.00 0.00 O ATOM 0 H GLY A 57 -7.761 5.054 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.564 4.218 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.277 4.828 -5.795 1.00 0.00 H new ATOM 783 N ARG A 58 -7.394 2.369 -5.917 1.00 0.00 N ATOM 784 CA ARG A 58 -7.691 1.033 -5.414 1.00 0.00 C ATOM 785 C ARG A 58 -6.687 0.011 -5.943 1.00 0.00 C ATOM 786 O ARG A 58 -6.206 -0.845 -5.202 1.00 0.00 O ATOM 787 CB ARG A 58 -9.110 0.621 -5.810 1.00 0.00 C ATOM 788 CG ARG A 58 -9.725 -0.414 -4.883 1.00 0.00 C ATOM 789 CD ARG A 58 -10.660 -1.351 -5.631 1.00 0.00 C ATOM 790 NE ARG A 58 -12.053 -1.168 -5.233 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.822 -0.171 -5.664 1.00 0.00 C ATOM 792 NH1 ARG A 58 -12.340 0.732 -6.508 1.00 0.00 N ATOM 793 NH2 ARG A 58 -14.079 -0.078 -5.249 1.00 0.00 N ATOM 0 H ARG A 58 -8.197 2.858 -6.312 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.615 1.058 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.746 1.506 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.094 0.223 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.933 -0.993 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.274 0.090 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.564 -1.179 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.363 -2.383 -5.446 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.460 -1.844 -4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.375 0.665 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.935 1.494 -6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.455 -0.770 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.670 0.686 -5.578 1.00 0.00 H new ATOM 807 N LEU A 59 -6.378 0.111 -7.232 1.00 0.00 N ATOM 808 CA LEU A 59 -5.438 -0.797 -7.867 1.00 0.00 C ATOM 809 C LEU A 59 -4.025 -0.626 -7.307 1.00 0.00 C ATOM 810 O LEU A 59 -3.153 -1.463 -7.542 1.00 0.00 O ATOM 811 CB LEU A 59 -5.427 -0.570 -9.380 1.00 0.00 C ATOM 812 CG LEU A 59 -5.357 0.897 -9.814 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.044 1.184 -10.525 1.00 0.00 C ATOM 814 CD2 LEU A 59 -6.537 1.248 -10.710 1.00 0.00 C ATOM 0 H LEU A 59 -6.769 0.816 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.765 -1.815 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.575 -1.100 -9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.325 -1.017 -9.806 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.407 1.520 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.014 2.231 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.213 0.976 -9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.963 0.551 -11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.469 2.294 -11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.520 0.616 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.468 1.085 -10.166 1.00 0.00 H new ATOM 826 N PHE A 60 -3.801 0.460 -6.571 1.00 0.00 N ATOM 827 CA PHE A 60 -2.492 0.732 -5.989 1.00 0.00 C ATOM 828 C PHE A 60 -2.562 0.759 -4.465 1.00 0.00 C ATOM 829 O PHE A 60 -2.747 1.815 -3.860 1.00 0.00 O ATOM 830 CB PHE A 60 -1.949 2.064 -6.514 1.00 0.00 C ATOM 831 CG PHE A 60 -0.680 1.926 -7.310 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.522 0.888 -8.214 1.00 0.00 C ATOM 833 CD2 PHE A 60 0.353 2.836 -7.152 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.643 0.760 -8.946 1.00 0.00 C ATOM 835 CE2 PHE A 60 1.520 2.713 -7.882 1.00 0.00 C ATOM 836 CZ PHE A 60 1.665 1.674 -8.781 1.00 0.00 C ATOM 0 H PHE A 60 -4.509 1.164 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.817 -0.072 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.709 2.536 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.768 2.731 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.318 0.171 -8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.245 3.650 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.754 -0.054 -9.647 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.318 3.429 -7.750 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.576 1.577 -9.353 1.00 0.00 H new ATOM 846 N TRP A 61 -2.409 -0.409 -3.852 1.00 0.00 N ATOM 847 CA TRP A 61 -2.450 -0.522 -2.396 1.00 0.00 C ATOM 848 C TRP A 61 -1.080 -0.227 -1.794 1.00 0.00 C ATOM 849 O TRP A 61 -0.051 -0.606 -2.354 1.00 0.00 O ATOM 850 CB TRP A 61 -2.909 -1.923 -1.983 1.00 0.00 C ATOM 851 CG TRP A 61 -4.399 -2.082 -1.968 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.310 -1.339 -2.661 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.152 -3.044 -1.221 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.579 -1.778 -2.394 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.511 -2.825 -1.513 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.810 -4.071 -0.336 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.528 -3.595 -0.951 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.820 -4.833 0.221 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.164 -4.592 -0.088 1.00 0.00 C ATOM 0 H TRP A 61 -2.255 -1.292 -4.339 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.163 0.211 -2.018 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.480 -2.654 -2.668 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.517 -2.148 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.065 -0.523 -3.324 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.436 -1.389 -2.787 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.776 -4.265 -0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.565 -3.411 -1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.568 -5.628 0.907 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.929 -5.206 0.364 1.00 0.00 H new ATOM 870 N GLY A 62 -1.071 0.450 -0.650 1.00 0.00 N ATOM 871 CA GLY A 62 0.179 0.780 0.006 1.00 0.00 C ATOM 872 C GLY A 62 0.608 -0.276 1.003 1.00 0.00 C ATOM 873 O GLY A 62 -0.157 -0.642 1.896 1.00 0.00 O ATOM 0 H GLY A 62 -1.908 0.776 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.959 0.903 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.075 1.737 0.517 1.00 0.00 H new ATOM 877 N GLY A 63 1.832 -0.770 0.852 1.00 0.00 N ATOM 878 CA GLY A 63 2.336 -1.787 1.754 1.00 0.00 C ATOM 879 C GLY A 63 3.850 -1.825 1.803 1.00 0.00 C ATOM 880 O GLY A 63 4.515 -0.851 1.452 1.00 0.00 O ATOM 0 H GLY A 63 2.483 -0.484 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.948 -1.603 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.962 -2.762 1.442 1.00 0.00 H new ATOM 884 N SER A 64 4.394 -2.955 2.238 1.00 0.00 N ATOM 885 CA SER A 64 5.839 -3.126 2.333 1.00 0.00 C ATOM 886 C SER A 64 6.190 -4.606 2.308 1.00 0.00 C ATOM 887 O SER A 64 5.593 -5.401 3.029 1.00 0.00 O ATOM 888 CB SER A 64 6.372 -2.479 3.613 1.00 0.00 C ATOM 889 OG SER A 64 5.336 -2.294 4.562 1.00 0.00 O ATOM 0 H SER A 64 3.854 -3.769 2.532 1.00 0.00 H new ATOM 0 HA SER A 64 6.305 -2.636 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.154 -3.105 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.828 -1.518 3.376 1.00 0.00 H new ATOM 0 HG SER A 64 5.703 -1.881 5.371 1.00 0.00 H new ATOM 895 N VAL A 65 7.159 -4.978 1.481 1.00 0.00 N ATOM 896 CA VAL A 65 7.560 -6.357 1.380 1.00 0.00 C ATOM 897 C VAL A 65 8.370 -6.766 2.589 1.00 0.00 C ATOM 898 O VAL A 65 9.060 -5.960 3.212 1.00 0.00 O ATOM 899 CB VAL A 65 8.386 -6.661 0.110 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.653 -7.648 -0.784 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.738 -5.397 -0.665 1.00 0.00 C ATOM 0 H VAL A 65 7.675 -4.339 0.876 1.00 0.00 H new ATOM 0 HA VAL A 65 6.635 -6.930 1.324 1.00 0.00 H new ATOM 0 HB VAL A 65 9.323 -7.111 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.252 -7.848 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.488 -8.578 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.693 -7.226 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.318 -5.662 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.822 -4.891 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.325 -4.733 -0.031 1.00 0.00 H new ATOM 911 N GLN A 66 8.264 -8.033 2.900 1.00 0.00 N ATOM 912 CA GLN A 66 8.970 -8.616 4.036 1.00 0.00 C ATOM 913 C GLN A 66 10.475 -8.397 3.917 1.00 0.00 C ATOM 914 O GLN A 66 10.983 -8.073 2.844 1.00 0.00 O ATOM 915 CB GLN A 66 8.668 -10.111 4.138 1.00 0.00 C ATOM 916 CG GLN A 66 9.087 -10.900 2.908 1.00 0.00 C ATOM 917 CD GLN A 66 9.718 -12.234 3.258 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.847 -12.584 4.431 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.116 -12.987 2.239 1.00 0.00 N ATOM 0 H GLN A 66 7.690 -8.697 2.380 1.00 0.00 H new ATOM 0 HA GLN A 66 8.621 -8.118 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.178 -10.518 5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.599 -10.247 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.216 -11.069 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.794 -10.309 2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.990 -12.658 1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.548 -13.894 2.414 1.00 0.00 H new ATOM 928 N GLY A 67 11.183 -8.575 5.029 1.00 0.00 N ATOM 929 CA GLY A 67 12.623 -8.392 5.029 1.00 0.00 C ATOM 930 C GLY A 67 13.344 -9.466 5.819 1.00 0.00 C ATOM 931 O GLY A 67 13.903 -9.194 6.881 1.00 0.00 O ATOM 0 H GLY A 67 10.785 -8.843 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.987 -8.395 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.862 -7.415 5.448 1.00 0.00 H new ATOM 1047 N ARG A 76 11.011 -0.524 2.954 1.00 0.00 N ATOM 1048 CA ARG A 76 10.443 0.702 2.406 1.00 0.00 C ATOM 1049 C ARG A 76 9.017 0.469 1.916 1.00 0.00 C ATOM 1050 O ARG A 76 8.753 -0.471 1.166 1.00 0.00 O ATOM 1051 CB ARG A 76 11.309 1.223 1.259 1.00 0.00 C ATOM 1052 CG ARG A 76 12.569 1.936 1.723 1.00 0.00 C ATOM 1053 CD ARG A 76 13.494 2.251 0.558 1.00 0.00 C ATOM 1054 NE ARG A 76 14.576 1.277 0.439 1.00 0.00 N ATOM 1055 CZ ARG A 76 15.683 1.482 -0.270 1.00 0.00 C ATOM 1056 NH1 ARG A 76 15.858 2.624 -0.925 1.00 0.00 N ATOM 1057 NH2 ARG A 76 16.619 0.544 -0.325 1.00 0.00 N ATOM 0 HA ARG A 76 10.419 1.448 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.590 0.387 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.718 1.907 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.298 2.860 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.094 1.314 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.918 2.268 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.916 3.247 0.689 1.00 0.00 H new ATOM 0 HE ARG A 76 14.477 0.387 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.142 3.349 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.709 2.776 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.490 -0.335 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.468 0.702 -0.869 1.00 0.00 H new ATOM 1071 N LEU A 77 8.100 1.329 2.347 1.00 0.00 N ATOM 1072 CA LEU A 77 6.701 1.215 1.951 1.00 0.00 C ATOM 1073 C LEU A 77 6.520 1.567 0.478 1.00 0.00 C ATOM 1074 O LEU A 77 7.163 2.482 -0.037 1.00 0.00 O ATOM 1075 CB LEU A 77 5.828 2.127 2.819 1.00 0.00 C ATOM 1076 CG LEU A 77 5.075 1.420 3.947 1.00 0.00 C ATOM 1077 CD1 LEU A 77 6.050 0.857 4.969 1.00 0.00 C ATOM 1078 CD2 LEU A 77 4.093 2.374 4.610 1.00 0.00 C ATOM 0 H LEU A 77 8.300 2.112 2.970 1.00 0.00 H new ATOM 0 HA LEU A 77 6.391 0.180 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.459 2.902 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.103 2.629 2.178 1.00 0.00 H new ATOM 0 HG LEU A 77 4.512 0.590 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.496 0.358 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.713 0.141 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.641 1.668 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.566 1.855 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.635 3.224 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.374 2.727 3.871 1.00 0.00 H new ATOM 1090 N GLY A 78 5.640 0.833 -0.195 1.00 0.00 N ATOM 1091 CA GLY A 78 5.388 1.079 -1.602 1.00 0.00 C ATOM 1092 C GLY A 78 3.923 0.925 -1.961 1.00 0.00 C ATOM 1093 O GLY A 78 3.116 0.507 -1.132 1.00 0.00 O ATOM 0 H GLY A 78 5.096 0.071 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.718 2.086 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.981 0.388 -2.201 1.00 0.00 H new ATOM 1097 N TYR A 79 3.579 1.263 -3.201 1.00 0.00 N ATOM 1098 CA TYR A 79 2.201 1.159 -3.665 1.00 0.00 C ATOM 1099 C TYR A 79 2.090 0.184 -4.833 1.00 0.00 C ATOM 1100 O TYR A 79 2.753 0.350 -5.857 1.00 0.00 O ATOM 1101 CB TYR A 79 1.676 2.533 -4.082 1.00 0.00 C ATOM 1102 CG TYR A 79 1.221 3.387 -2.919 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.110 4.231 -2.263 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.096 3.351 -2.478 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.698 5.012 -1.200 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.515 4.130 -1.417 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.385 4.958 -0.781 1.00 0.00 C ATOM 1108 OH TYR A 79 -0.027 5.735 0.277 1.00 0.00 O ATOM 0 H TYR A 79 4.235 1.610 -3.900 1.00 0.00 H new ATOM 0 HA TYR A 79 1.596 0.780 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.459 3.062 -4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.843 2.400 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.139 4.277 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.804 2.703 -2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.401 5.662 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.543 4.091 -1.087 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.980 5.580 0.445 1.00 0.00 H new ATOM 1118 N PHE A 80 1.251 -0.835 -4.673 1.00 0.00 N ATOM 1119 CA PHE A 80 1.057 -1.836 -5.716 1.00 0.00 C ATOM 1120 C PHE A 80 -0.270 -2.569 -5.533 1.00 0.00 C ATOM 1121 O PHE A 80 -0.794 -2.652 -4.421 1.00 0.00 O ATOM 1122 CB PHE A 80 2.217 -2.837 -5.708 1.00 0.00 C ATOM 1123 CG PHE A 80 2.225 -3.742 -4.507 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.370 -4.831 -4.440 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.087 -3.504 -3.449 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.374 -5.665 -3.339 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.096 -4.336 -2.345 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.239 -5.417 -2.290 1.00 0.00 C ATOM 0 H PHE A 80 0.695 -0.989 -3.832 1.00 0.00 H new ATOM 0 HA PHE A 80 1.033 -1.324 -6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.166 -3.446 -6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.159 -2.289 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.693 -5.030 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.759 -2.659 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.702 -6.510 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.773 -4.141 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.245 -6.068 -1.428 1.00 0.00 H new ATOM 1138 N PRO A 81 -0.832 -3.117 -6.626 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.102 -3.849 -6.578 1.00 0.00 C ATOM 1140 C PRO A 81 -2.007 -5.110 -5.728 1.00 0.00 C ATOM 1141 O PRO A 81 -1.195 -5.994 -5.998 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.370 -4.210 -8.043 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.038 -4.144 -8.706 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.274 -3.069 -7.988 1.00 0.00 C ATOM 0 HA PRO A 81 -2.895 -3.255 -6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.806 -5.205 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.073 -3.513 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.521 -5.101 -8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.140 -3.909 -9.766 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.798 -3.265 -7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.421 -2.093 -8.450 1.00 0.00 H new ATOM 1152 N SER A 82 -2.839 -5.183 -4.696 1.00 0.00 N ATOM 1153 CA SER A 82 -2.849 -6.334 -3.800 1.00 0.00 C ATOM 1154 C SER A 82 -3.278 -7.600 -4.535 1.00 0.00 C ATOM 1155 O SER A 82 -2.926 -8.709 -4.135 1.00 0.00 O ATOM 1156 CB SER A 82 -3.783 -6.075 -2.618 1.00 0.00 C ATOM 1157 OG SER A 82 -5.131 -6.347 -2.962 1.00 0.00 O ATOM 0 H SER A 82 -3.516 -4.458 -4.458 1.00 0.00 H new ATOM 0 HA SER A 82 -1.834 -6.481 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.487 -6.698 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.689 -5.038 -2.297 1.00 0.00 H new ATOM 0 HG SER A 82 -5.721 -6.039 -2.242 1.00 0.00 H new ATOM 1163 N SER A 83 -4.043 -7.430 -5.611 1.00 0.00 N ATOM 1164 CA SER A 83 -4.524 -8.560 -6.399 1.00 0.00 C ATOM 1165 C SER A 83 -3.395 -9.538 -6.723 1.00 0.00 C ATOM 1166 O SER A 83 -3.632 -10.733 -6.909 1.00 0.00 O ATOM 1167 CB SER A 83 -5.167 -8.063 -7.696 1.00 0.00 C ATOM 1168 OG SER A 83 -5.883 -9.102 -8.340 1.00 0.00 O ATOM 0 H SER A 83 -4.343 -6.519 -5.957 1.00 0.00 H new ATOM 0 HA SER A 83 -5.268 -9.087 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.840 -7.234 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.396 -7.680 -8.364 1.00 0.00 H new ATOM 0 HG SER A 83 -6.286 -8.759 -9.165 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.170 -9.026 -6.791 1.00 0.00 N ATOM 1175 CA ILE A 84 -1.012 -9.857 -7.096 1.00 0.00 C ATOM 1176 C ILE A 84 -0.571 -10.665 -5.877 1.00 0.00 C ATOM 1177 O ILE A 84 -0.056 -11.775 -6.010 1.00 0.00 O ATOM 1178 CB ILE A 84 0.174 -9.006 -7.597 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.321 -9.908 -8.059 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.647 -8.053 -6.507 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.129 -10.460 -9.455 1.00 0.00 C ATOM 0 H ILE A 84 -1.954 -8.041 -6.639 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.316 -10.543 -7.886 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.162 -8.413 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.253 -9.344 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.425 -10.738 -7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.484 -7.461 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.170 -7.389 -6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.966 -8.626 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.979 -11.090 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.214 -11.052 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.055 -9.636 -10.165 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.774 -10.101 -4.691 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.396 -10.769 -3.451 1.00 0.00 C ATOM 1195 C VAL A 85 -1.621 -11.326 -2.728 1.00 0.00 C ATOM 1196 O VAL A 85 -2.707 -10.752 -2.797 1.00 0.00 O ATOM 1197 CB VAL A 85 0.352 -9.812 -2.503 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.663 -9.352 -3.128 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.524 -8.620 -2.146 1.00 0.00 C ATOM 0 H VAL A 85 -1.198 -9.182 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 85 0.266 -11.591 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 85 0.585 -10.351 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.176 -8.677 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.295 -10.218 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.457 -8.832 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.021 -7.955 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.791 -8.080 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.430 -8.970 -1.652 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.436 -12.443 -2.034 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.524 -13.074 -1.296 1.00 0.00 C ATOM 1211 C ARG A 86 -2.353 -12.860 0.205 1.00 0.00 C ATOM 1212 O ARG A 86 -1.311 -13.183 0.772 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.582 -14.569 -1.608 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.141 -14.882 -2.987 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.351 -15.799 -2.908 1.00 0.00 C ATOM 1216 NE ARG A 86 -5.273 -15.589 -4.022 1.00 0.00 N ATOM 1217 CZ ARG A 86 -6.087 -14.541 -4.122 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -6.097 -13.607 -3.180 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.893 -14.427 -5.170 1.00 0.00 N ATOM 0 H ARG A 86 -0.543 -12.931 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.460 -12.611 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.579 -14.987 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.195 -15.065 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.420 -13.954 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.368 -15.351 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.019 -16.837 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.874 -15.628 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.294 -16.286 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.478 -13.690 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.723 -12.806 -3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.888 -15.142 -5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.518 -13.624 -5.248 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.383 -12.312 0.840 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.345 -12.053 2.276 1.00 0.00 C ATOM 1235 C GLU A 87 -3.540 -13.338 3.068 1.00 0.00 C ATOM 1236 O GLU A 87 -4.602 -13.960 3.016 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.419 -11.034 2.660 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.230 -9.674 2.007 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.408 -9.274 1.140 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.891 -10.125 0.364 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.848 -8.108 1.238 1.00 0.00 O ATOM 0 H GLU A 87 -4.254 -12.039 0.385 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.364 -11.646 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.397 -11.428 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.420 -10.911 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.081 -8.921 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.325 -9.690 1.399 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.508 -13.729 3.809 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.565 -14.938 4.618 1.00 0.00 C ATOM 1250 C ASP A 88 -2.839 -14.600 6.074 1.00 0.00 C ATOM 1251 O ASP A 88 -3.734 -15.166 6.701 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.257 -15.723 4.498 1.00 0.00 C ATOM 1253 CG ASP A 88 -1.482 -17.223 4.491 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -1.500 -17.826 5.584 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.639 -17.795 3.392 1.00 0.00 O ATOM 0 H ASP A 88 -1.623 -13.225 3.865 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.382 -15.556 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.744 -15.431 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.601 -15.460 5.328 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.056 -13.677 6.601 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.187 -13.248 7.976 1.00 0.00 C ATOM 1262 C GLN A 89 -2.854 -11.881 8.050 1.00 0.00 C ATOM 1263 O GLN A 89 -2.702 -11.060 7.146 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.803 -13.188 8.596 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.805 -13.169 10.115 1.00 0.00 C ATOM 1266 CD GLN A 89 0.585 -13.318 10.702 1.00 0.00 C ATOM 1267 OE1 GLN A 89 1.156 -14.409 10.705 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.137 -12.220 11.204 1.00 0.00 N ATOM 0 H GLN A 89 -1.312 -13.205 6.086 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.811 -13.956 8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.226 -14.047 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.292 -12.296 8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.244 -12.234 10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.439 -13.975 10.484 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.628 -11.337 11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.070 -12.260 11.613 1.00 0.00 H new ATOM 1277 N THR A 90 -3.591 -11.637 9.125 1.00 0.00 N ATOM 1278 CA THR A 90 -4.271 -10.361 9.295 1.00 0.00 C ATOM 1279 C THR A 90 -4.158 -9.853 10.724 1.00 0.00 C ATOM 1280 O THR A 90 -4.080 -10.632 11.673 1.00 0.00 O ATOM 1281 CB THR A 90 -5.740 -10.467 8.899 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.322 -11.645 9.429 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.958 -10.475 7.403 1.00 0.00 C ATOM 0 H THR A 90 -3.733 -12.300 9.887 1.00 0.00 H new ATOM 0 HA THR A 90 -3.778 -9.646 8.637 1.00 0.00 H new ATOM 0 HB THR A 90 -6.214 -9.576 9.312 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.264 -11.692 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.024 -10.552 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.569 -9.552 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.438 -11.327 6.964 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.151 -8.534 10.859 1.00 0.00 N ATOM 1292 CA LEU A 91 -4.047 -7.891 12.160 1.00 0.00 C ATOM 1293 C LEU A 91 -4.641 -6.487 12.112 1.00 0.00 C ATOM 1294 O LEU A 91 -4.243 -5.607 12.874 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.582 -7.829 12.596 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.332 -8.131 14.075 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -3.136 -7.188 14.956 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.676 -9.580 14.388 1.00 0.00 C ATOM 0 H LEU A 91 -4.217 -7.884 10.076 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.609 -8.479 12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.010 -8.536 11.995 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.195 -6.835 12.374 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.274 -7.976 14.284 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.945 -7.418 16.004 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.842 -6.159 14.751 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.198 -7.310 14.745 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.492 -9.778 15.444 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.727 -9.761 14.162 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.056 -10.240 13.782 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.592 -6.284 11.201 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.240 -4.986 11.032 1.00 0.00 C ATOM 1312 C LYS A 92 -6.750 -4.432 12.363 1.00 0.00 C ATOM 1313 O LYS A 92 -7.769 -4.889 12.882 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.404 -5.103 10.046 1.00 0.00 C ATOM 1315 CG LYS A 92 -6.984 -5.555 8.657 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.119 -5.405 7.658 1.00 0.00 C ATOM 1317 CE LYS A 92 -7.616 -5.494 6.226 1.00 0.00 C ATOM 1318 NZ LYS A 92 -8.500 -4.757 5.281 1.00 0.00 N ATOM 0 H LYS A 92 -5.931 -7.007 10.566 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.494 -4.295 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.135 -5.808 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.902 -4.137 9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.126 -4.969 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.664 -6.596 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.864 -6.182 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.616 -4.447 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.606 -5.088 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.556 -6.540 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.105 -4.813 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.449 -5.182 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.564 -3.760 5.571 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.055 -3.430 12.932 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.449 -2.814 14.193 1.00 0.00 C ATOM 1334 C PRO A 93 -7.453 -1.680 13.994 1.00 0.00 C ATOM 1335 O PRO A 93 -8.210 -1.340 14.903 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.126 -2.276 14.724 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.355 -1.902 13.502 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.830 -2.809 12.389 1.00 0.00 C ATOM 0 HA PRO A 93 -6.949 -3.512 14.864 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.280 -1.415 15.374 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.599 -3.028 15.311 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.522 -0.856 13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.285 -2.023 13.669 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.037 -2.248 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.080 -3.559 12.138 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.451 -1.101 12.795 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.362 -0.013 12.490 1.00 0.00 C ATOM 1348 C GLY A 94 -8.651 0.098 11.004 1.00 0.00 C ATOM 1349 O GLY A 94 -7.935 -0.477 10.183 1.00 0.00 O ATOM 0 H GLY A 94 -6.833 -1.368 12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.297 -0.163 13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.936 0.925 12.846 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.693 0.843 10.657 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.065 1.036 9.271 1.00 0.00 C ATOM 1355 C LYS A 95 -10.757 2.382 9.086 1.00 0.00 C ATOM 1356 O LYS A 95 -11.836 2.464 8.500 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.970 -0.102 8.791 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.052 -0.481 9.787 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.278 -1.047 9.089 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.214 0.057 8.624 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.033 0.600 9.744 1.00 0.00 N ATOM 0 H LYS A 95 -10.296 1.324 11.325 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.157 1.029 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.439 0.190 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.357 -0.979 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.660 -1.217 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.336 0.396 10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.967 -1.646 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.809 -1.714 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.631 0.862 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.873 -0.329 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.693 1.314 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.570 -0.172 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.408 1.038 10.451 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.131 3.432 9.598 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.683 4.775 9.497 1.00 0.00 C ATOM 1377 C VAL A 96 -10.222 5.460 8.220 1.00 0.00 C ATOM 1378 O VAL A 96 -9.063 5.344 7.823 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.285 5.648 10.703 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.169 6.884 10.780 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.360 4.850 11.996 1.00 0.00 C ATOM 0 H VAL A 96 -9.238 3.379 10.089 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.767 4.666 9.483 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.253 5.972 10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.874 7.489 11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.057 7.469 9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.210 6.580 10.891 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.075 5.487 12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.379 4.491 12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.680 4.000 11.939 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.138 6.171 7.582 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.836 6.876 6.351 1.00 0.00 C ATOM 1393 C ASP A 97 -9.949 8.081 6.623 1.00 0.00 C ATOM 1394 O ASP A 97 -9.993 8.674 7.700 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.126 7.319 5.659 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.869 7.961 4.311 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.676 9.195 4.267 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.861 7.231 3.296 1.00 0.00 O ATOM 0 H ASP A 97 -12.102 6.274 7.900 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.299 6.193 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.779 6.456 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.654 8.025 6.300 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.144 8.430 5.635 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.230 9.559 5.746 1.00 0.00 C ATOM 1405 C VAL A 98 -8.082 10.275 4.409 1.00 0.00 C ATOM 1406 O VAL A 98 -7.439 9.767 3.490 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.841 9.106 6.231 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.974 10.308 6.570 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.970 8.177 7.426 1.00 0.00 C ATOM 0 H VAL A 98 -9.103 7.945 4.739 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.656 10.246 6.477 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.357 8.556 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.996 9.967 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.852 10.930 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.451 10.890 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.978 7.867 7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.475 8.698 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.549 7.298 7.143 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.682 11.455 4.306 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.617 12.239 3.078 1.00 0.00 C ATOM 1421 C LYS A 99 -7.229 12.843 2.889 1.00 0.00 C ATOM 1422 O LYS A 99 -6.811 13.714 3.654 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.671 13.347 3.099 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.522 14.307 4.268 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.848 14.541 4.976 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.031 16.004 5.350 1.00 0.00 C ATOM 1427 NZ LYS A 99 -11.979 16.697 4.434 1.00 0.00 N ATOM 0 H LYS A 99 -9.218 11.890 5.057 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.819 11.572 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.613 13.910 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.662 12.894 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.796 13.908 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.128 15.258 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.667 14.225 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.895 13.926 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.399 16.074 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.065 16.509 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.076 17.691 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.616 16.653 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.908 16.231 4.478 1.00 0.00 H new ATOM 1441 N THR A 100 -6.518 12.374 1.869 1.00 0.00 N ATOM 1442 CA THR A 100 -5.178 12.865 1.580 1.00 0.00 C ATOM 1443 C THR A 100 -5.231 14.208 0.855 1.00 0.00 C ATOM 1444 O THR A 100 -6.273 14.600 0.331 1.00 0.00 O ATOM 1445 CB THR A 100 -4.414 11.840 0.739 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.037 12.168 0.676 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.925 11.720 -0.682 1.00 0.00 C ATOM 0 H THR A 100 -6.849 11.653 1.228 1.00 0.00 H new ATOM 0 HA THR A 100 -4.656 13.011 2.526 1.00 0.00 H new ATOM 0 HB THR A 100 -4.571 10.886 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.566 11.500 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.337 10.976 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.971 11.414 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.835 12.684 -1.183 1.00 0.00 H new