USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 774 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 65 LYS NZ :NH3+ -178:sc= 0.602 (180deg=-0.543) USER MOD Set 1.2: A 83 THR OG1 : rot -92:sc= 2.2 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 105:sc= 1.23 USER MOD Single : A 19 CYS SG : rot 94:sc= 1.93 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=-0.5) USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= 0.9 (180deg=-0.0571) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.0988 (180deg=0.0936) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -2.92! (180deg=-4.24!) USER MOD Single : A 53 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.82) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0162) USER MOD Single : A 56 SER OG : rot 133:sc= 1.35 USER MOD Single : A 69 GLN : amide:sc= -1.89! X(o=-1.9!,f=-1.6) USER MOD Single : A 70 ASN : amide:sc= -0.415 K(o=-0.42,f=-3.8!) USER MOD Single : A 72 SER OG : rot 180:sc=-0.00264 USER MOD Single : A 79 SER OG : rot 98:sc= 0.797 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.149) USER MOD Single : A 92 SER OG : rot -26:sc= 0.0315 USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.06) USER MOD Single : A 106 MET CE :methyl 138:sc= -2.16 (180deg=-5.69!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -13.103 6.417 4.735 1.00 0.00 N ATOM 61 CA GLY A 5 -12.012 7.096 5.419 1.00 0.00 C ATOM 62 C GLY A 5 -10.761 6.247 5.547 1.00 0.00 C ATOM 63 O GLY A 5 -9.687 6.765 5.848 1.00 0.00 O ATOM 0 HA2 GLY A 5 -11.768 8.011 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.345 7.392 6.414 1.00 0.00 H new ATOM 67 N ILE A 6 -10.904 4.942 5.332 1.00 0.00 N ATOM 68 CA ILE A 6 -9.769 4.029 5.305 1.00 0.00 C ATOM 69 C ILE A 6 -8.729 4.525 4.311 1.00 0.00 C ATOM 70 O ILE A 6 -7.528 4.519 4.579 1.00 0.00 O ATOM 71 CB ILE A 6 -10.219 2.603 4.925 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.065 2.002 6.052 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.020 1.718 4.611 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.524 0.585 5.784 1.00 0.00 C ATOM 0 H ILE A 6 -11.805 4.491 5.173 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.331 3.997 6.302 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.830 2.660 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.486 2.018 6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.939 2.633 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.365 0.718 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.463 2.143 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.373 1.658 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.117 0.229 6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.131 0.564 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.655 -0.060 5.653 1.00 0.00 H new ATOM 86 N LEU A 7 -9.213 4.967 3.168 1.00 0.00 N ATOM 87 CA LEU A 7 -8.372 5.587 2.171 1.00 0.00 C ATOM 88 C LEU A 7 -9.152 6.702 1.489 1.00 0.00 C ATOM 89 O LEU A 7 -10.342 6.555 1.213 1.00 0.00 O ATOM 90 CB LEU A 7 -7.807 4.544 1.166 1.00 0.00 C ATOM 91 CG LEU A 7 -8.771 3.837 0.180 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.017 3.298 0.866 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.134 4.747 -0.986 1.00 0.00 C ATOM 0 H LEU A 7 -10.197 4.906 2.907 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.499 6.026 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.041 5.043 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.306 3.769 1.746 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.234 2.975 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.657 2.813 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.728 2.574 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.560 4.120 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.811 4.222 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.622 5.645 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.229 5.025 -1.526 1.00 0.00 H new ATOM 105 N ASN A 8 -8.501 7.832 1.282 1.00 0.00 N ATOM 106 CA ASN A 8 -9.137 8.968 0.635 1.00 0.00 C ATOM 107 C ASN A 8 -8.754 9.011 -0.832 1.00 0.00 C ATOM 108 O ASN A 8 -7.571 8.896 -1.161 1.00 0.00 O ATOM 109 CB ASN A 8 -8.748 10.272 1.328 1.00 0.00 C ATOM 110 CG ASN A 8 -9.481 10.455 2.640 1.00 0.00 C ATOM 111 OD1 ASN A 8 -10.503 11.138 2.713 1.00 0.00 O ATOM 112 ND2 ASN A 8 -8.990 9.804 3.675 1.00 0.00 N ATOM 0 H ASN A 8 -7.530 7.989 1.553 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.218 8.853 0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.673 10.280 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.967 11.112 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.459 9.855 4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.140 9.249 3.572 1.00 0.00 H new ATOM 119 N ASP A 9 -9.749 9.156 -1.705 1.00 0.00 N ATOM 120 CA ASP A 9 -9.517 9.234 -3.149 1.00 0.00 C ATOM 121 C ASP A 9 -8.403 10.228 -3.434 1.00 0.00 C ATOM 122 O ASP A 9 -7.440 9.935 -4.145 1.00 0.00 O ATOM 123 CB ASP A 9 -10.785 9.701 -3.878 1.00 0.00 C ATOM 124 CG ASP A 9 -12.025 8.903 -3.522 1.00 0.00 C ATOM 125 OD1 ASP A 9 -12.522 9.045 -2.383 1.00 0.00 O ATOM 126 OD2 ASP A 9 -12.522 8.153 -4.389 1.00 0.00 O ATOM 0 H ASP A 9 -10.731 9.222 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.241 8.241 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.961 10.751 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.619 9.637 -4.953 1.00 0.00 H new ATOM 131 N ALA A 10 -8.547 11.395 -2.829 1.00 0.00 N ATOM 132 CA ALA A 10 -7.610 12.495 -2.975 1.00 0.00 C ATOM 133 C ALA A 10 -6.192 12.102 -2.566 1.00 0.00 C ATOM 134 O ALA A 10 -5.235 12.388 -3.284 1.00 0.00 O ATOM 135 CB ALA A 10 -8.094 13.656 -2.125 1.00 0.00 C ATOM 0 H ALA A 10 -9.331 11.608 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.570 12.778 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.401 14.492 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.084 13.964 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.144 13.347 -1.081 1.00 0.00 H new ATOM 141 N ASP A 11 -6.066 11.445 -1.419 1.00 0.00 N ATOM 142 CA ASP A 11 -4.757 11.102 -0.863 1.00 0.00 C ATOM 143 C ASP A 11 -4.017 10.118 -1.750 1.00 0.00 C ATOM 144 O ASP A 11 -2.833 10.295 -2.043 1.00 0.00 O ATOM 145 CB ASP A 11 -4.900 10.531 0.551 1.00 0.00 C ATOM 146 CG ASP A 11 -5.135 11.604 1.598 1.00 0.00 C ATOM 147 OD1 ASP A 11 -6.074 12.412 1.437 1.00 0.00 O ATOM 148 OD2 ASP A 11 -4.371 11.659 2.581 1.00 0.00 O ATOM 0 H ASP A 11 -6.856 11.137 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.173 12.021 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.729 9.824 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.999 9.973 0.805 1.00 0.00 H new ATOM 153 N ILE A 12 -4.722 9.094 -2.181 1.00 0.00 N ATOM 154 CA ILE A 12 -4.154 8.090 -3.064 1.00 0.00 C ATOM 155 C ILE A 12 -3.770 8.718 -4.402 1.00 0.00 C ATOM 156 O ILE A 12 -2.664 8.510 -4.908 1.00 0.00 O ATOM 157 CB ILE A 12 -5.154 6.931 -3.267 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.084 5.939 -2.099 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.916 6.204 -4.584 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.513 6.511 -0.765 1.00 0.00 C ATOM 0 H ILE A 12 -5.698 8.932 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.251 7.687 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.151 7.369 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.713 5.079 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.061 5.572 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.640 5.396 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.031 6.904 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.907 5.791 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.432 5.742 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.870 7.352 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.546 6.851 -0.830 1.00 0.00 H new ATOM 172 N THR A 13 -4.677 9.518 -4.943 1.00 0.00 N ATOM 173 CA THR A 13 -4.445 10.222 -6.196 1.00 0.00 C ATOM 174 C THR A 13 -3.235 11.158 -6.085 1.00 0.00 C ATOM 175 O THR A 13 -2.460 11.303 -7.032 1.00 0.00 O ATOM 176 CB THR A 13 -5.702 11.024 -6.592 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.829 10.140 -6.674 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.523 11.727 -7.926 1.00 0.00 C ATOM 0 H THR A 13 -5.591 9.697 -4.528 1.00 0.00 H new ATOM 0 HA THR A 13 -4.233 9.483 -6.969 1.00 0.00 H new ATOM 0 HB THR A 13 -5.868 11.782 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.405 10.270 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.430 12.281 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.682 12.417 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.329 10.988 -8.704 1.00 0.00 H new ATOM 186 N ALA A 14 -3.062 11.756 -4.909 1.00 0.00 N ATOM 187 CA ALA A 14 -1.951 12.670 -4.656 1.00 0.00 C ATOM 188 C ALA A 14 -0.613 11.949 -4.735 1.00 0.00 C ATOM 189 O ALA A 14 0.366 12.484 -5.256 1.00 0.00 O ATOM 190 CB ALA A 14 -2.105 13.327 -3.294 1.00 0.00 C ATOM 0 H ALA A 14 -3.682 11.622 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.971 13.438 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.269 14.005 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.039 13.888 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.117 12.560 -2.519 1.00 0.00 H new ATOM 196 N ALA A 15 -0.567 10.737 -4.206 1.00 0.00 N ATOM 197 CA ALA A 15 0.647 9.938 -4.256 1.00 0.00 C ATOM 198 C ALA A 15 0.915 9.477 -5.683 1.00 0.00 C ATOM 199 O ALA A 15 2.051 9.500 -6.154 1.00 0.00 O ATOM 200 CB ALA A 15 0.538 8.749 -3.319 1.00 0.00 C ATOM 0 H ALA A 15 -1.353 10.286 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 15 1.485 10.553 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.455 8.161 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.388 9.102 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.307 8.128 -3.616 1.00 0.00 H new ATOM 206 N LEU A 16 -0.151 9.091 -6.373 1.00 0.00 N ATOM 207 CA LEU A 16 -0.062 8.663 -7.764 1.00 0.00 C ATOM 208 C LEU A 16 0.369 9.816 -8.671 1.00 0.00 C ATOM 209 O LEU A 16 0.896 9.598 -9.760 1.00 0.00 O ATOM 210 CB LEU A 16 -1.413 8.113 -8.224 1.00 0.00 C ATOM 211 CG LEU A 16 -1.851 6.822 -7.538 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.336 6.608 -7.734 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.073 5.635 -8.086 1.00 0.00 C ATOM 0 H LEU A 16 -1.095 9.066 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 16 0.693 7.879 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.175 8.874 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.371 7.939 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.643 6.908 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.639 5.684 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.884 7.446 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.556 6.540 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.399 4.724 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.254 5.545 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.008 5.785 -7.909 1.00 0.00 H new ATOM 225 N ALA A 17 0.126 11.041 -8.223 1.00 0.00 N ATOM 226 CA ALA A 17 0.528 12.224 -8.971 1.00 0.00 C ATOM 227 C ALA A 17 1.970 12.599 -8.659 1.00 0.00 C ATOM 228 O ALA A 17 2.666 13.181 -9.493 1.00 0.00 O ATOM 229 CB ALA A 17 -0.396 13.389 -8.657 1.00 0.00 C ATOM 0 H ALA A 17 -0.349 11.241 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 17 0.455 11.994 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.082 14.265 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.418 13.127 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.352 13.612 -7.591 1.00 0.00 H new ATOM 235 N ALA A 18 2.419 12.244 -7.460 1.00 0.00 N ATOM 236 CA ALA A 18 3.757 12.591 -7.007 1.00 0.00 C ATOM 237 C ALA A 18 4.793 11.795 -7.770 1.00 0.00 C ATOM 238 O ALA A 18 5.818 12.323 -8.202 1.00 0.00 O ATOM 239 CB ALA A 18 3.896 12.325 -5.518 1.00 0.00 C ATOM 0 H ALA A 18 1.871 11.713 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 18 3.919 13.653 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.902 12.589 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.169 12.926 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.716 11.269 -5.319 1.00 0.00 H new ATOM 245 N CYS A 19 4.508 10.520 -7.939 1.00 0.00 N ATOM 246 CA CYS A 19 5.409 9.633 -8.642 1.00 0.00 C ATOM 247 C CYS A 19 4.696 8.990 -9.826 1.00 0.00 C ATOM 248 O CYS A 19 4.595 7.769 -9.929 1.00 0.00 O ATOM 249 CB CYS A 19 5.963 8.580 -7.681 1.00 0.00 C ATOM 250 SG CYS A 19 4.701 7.620 -6.813 1.00 0.00 S ATOM 0 H CYS A 19 3.656 10.075 -7.597 1.00 0.00 H new ATOM 0 HA CYS A 19 6.250 10.207 -9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.601 7.896 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.595 9.075 -6.944 1.00 0.00 H new ATOM 0 HG CYS A 19 4.468 6.520 -7.465 1.00 0.00 H new ATOM 256 N LYS A 20 4.195 9.840 -10.715 1.00 0.00 N ATOM 257 CA LYS A 20 3.504 9.392 -11.913 1.00 0.00 C ATOM 258 C LYS A 20 4.517 9.013 -12.992 1.00 0.00 C ATOM 259 O LYS A 20 4.173 8.423 -14.017 1.00 0.00 O ATOM 260 CB LYS A 20 2.585 10.513 -12.407 1.00 0.00 C ATOM 261 CG LYS A 20 1.730 10.136 -13.603 1.00 0.00 C ATOM 262 CD LYS A 20 0.868 11.300 -14.068 1.00 0.00 C ATOM 263 CE LYS A 20 1.715 12.498 -14.462 1.00 0.00 C ATOM 264 NZ LYS A 20 0.891 13.624 -14.973 1.00 0.00 N ATOM 0 H LYS A 20 4.257 10.854 -10.624 1.00 0.00 H new ATOM 0 HA LYS A 20 2.905 8.510 -11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.932 10.819 -11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.194 11.378 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.372 9.809 -14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.092 9.292 -13.342 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.261 10.988 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.180 11.585 -13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.291 12.833 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.432 12.198 -15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.510 14.419 -15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.361 13.313 -15.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.224 13.929 -14.235 1.00 0.00 H new ATOM 278 N ALA A 21 5.771 9.364 -12.748 1.00 0.00 N ATOM 279 CA ALA A 21 6.848 9.073 -13.679 1.00 0.00 C ATOM 280 C ALA A 21 7.208 7.592 -13.653 1.00 0.00 C ATOM 281 O ALA A 21 7.625 7.065 -12.620 1.00 0.00 O ATOM 282 CB ALA A 21 8.064 9.921 -13.344 1.00 0.00 C ATOM 0 H ALA A 21 6.068 9.855 -11.905 1.00 0.00 H new ATOM 0 HA ALA A 21 6.510 9.318 -14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.868 9.698 -14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.802 10.977 -13.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.395 9.697 -12.330 1.00 0.00 H new ATOM 288 N GLU A 22 7.032 6.927 -14.789 1.00 0.00 N ATOM 289 CA GLU A 22 7.389 5.521 -14.920 1.00 0.00 C ATOM 290 C GLU A 22 8.891 5.351 -14.716 1.00 0.00 C ATOM 291 O GLU A 22 9.699 5.939 -15.440 1.00 0.00 O ATOM 292 CB GLU A 22 6.976 4.989 -16.295 1.00 0.00 C ATOM 293 CG GLU A 22 7.296 3.517 -16.507 1.00 0.00 C ATOM 294 CD GLU A 22 6.928 3.032 -17.894 1.00 0.00 C ATOM 295 OE1 GLU A 22 7.731 3.235 -18.832 1.00 0.00 O ATOM 296 OE2 GLU A 22 5.838 2.444 -18.056 1.00 0.00 O ATOM 0 H GLU A 22 6.642 7.342 -15.635 1.00 0.00 H new ATOM 0 HA GLU A 22 6.858 4.949 -14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.905 5.140 -16.426 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.477 5.575 -17.066 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.361 3.353 -16.340 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.762 2.923 -15.765 1.00 0.00 H new ATOM 303 N GLY A 23 9.257 4.562 -13.721 1.00 0.00 N ATOM 304 CA GLY A 23 10.652 4.387 -13.384 1.00 0.00 C ATOM 305 C GLY A 23 11.049 5.255 -12.214 1.00 0.00 C ATOM 306 O GLY A 23 12.225 5.351 -11.861 1.00 0.00 O ATOM 0 H GLY A 23 8.608 4.036 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.841 3.341 -13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.270 4.633 -14.248 1.00 0.00 H new ATOM 310 N SER A 24 10.062 5.912 -11.627 1.00 0.00 N ATOM 311 CA SER A 24 10.287 6.755 -10.469 1.00 0.00 C ATOM 312 C SER A 24 9.132 6.622 -9.479 1.00 0.00 C ATOM 313 O SER A 24 8.886 7.519 -8.669 1.00 0.00 O ATOM 314 CB SER A 24 10.453 8.209 -10.910 1.00 0.00 C ATOM 315 OG SER A 24 11.508 8.333 -11.853 1.00 0.00 O ATOM 0 H SER A 24 9.091 5.876 -11.938 1.00 0.00 H new ATOM 0 HA SER A 24 11.201 6.433 -9.970 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.523 8.569 -11.349 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.659 8.836 -10.042 1.00 0.00 H new ATOM 0 HG SER A 24 11.597 9.271 -12.123 1.00 0.00 H new ATOM 321 N PHE A 25 8.425 5.497 -9.552 1.00 0.00 N ATOM 322 CA PHE A 25 7.323 5.231 -8.637 1.00 0.00 C ATOM 323 C PHE A 25 7.873 4.996 -7.243 1.00 0.00 C ATOM 324 O PHE A 25 8.760 4.160 -7.056 1.00 0.00 O ATOM 325 CB PHE A 25 6.519 4.005 -9.077 1.00 0.00 C ATOM 326 CG PHE A 25 5.233 3.828 -8.316 1.00 0.00 C ATOM 327 CD1 PHE A 25 4.154 4.664 -8.551 1.00 0.00 C ATOM 328 CD2 PHE A 25 5.108 2.831 -7.362 1.00 0.00 C ATOM 329 CE1 PHE A 25 2.974 4.509 -7.848 1.00 0.00 C ATOM 330 CE2 PHE A 25 3.931 2.673 -6.656 1.00 0.00 C ATOM 331 CZ PHE A 25 2.863 3.512 -6.899 1.00 0.00 C ATOM 0 H PHE A 25 8.596 4.758 -10.234 1.00 0.00 H new ATOM 0 HA PHE A 25 6.659 6.096 -8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.294 4.090 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.133 3.113 -8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.236 5.446 -9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.940 2.170 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.140 5.167 -8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.847 1.893 -5.914 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.942 3.389 -6.348 1.00 0.00 H new ATOM 341 N ASP A 26 7.368 5.730 -6.269 1.00 0.00 N ATOM 342 CA ASP A 26 7.812 5.539 -4.903 1.00 0.00 C ATOM 343 C ASP A 26 6.705 4.880 -4.097 1.00 0.00 C ATOM 344 O ASP A 26 5.900 5.554 -3.452 1.00 0.00 O ATOM 345 CB ASP A 26 8.218 6.867 -4.271 1.00 0.00 C ATOM 346 CG ASP A 26 9.252 6.680 -3.180 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.897 6.195 -2.085 1.00 0.00 O ATOM 348 OD2 ASP A 26 10.437 6.986 -3.426 1.00 0.00 O ATOM 0 H ASP A 26 6.660 6.454 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 26 8.688 4.891 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.617 7.528 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.337 7.356 -3.856 1.00 0.00 H new ATOM 353 N HIS A 27 6.656 3.552 -4.170 1.00 0.00 N ATOM 354 CA HIS A 27 5.609 2.773 -3.511 1.00 0.00 C ATOM 355 C HIS A 27 5.513 3.077 -2.023 1.00 0.00 C ATOM 356 O HIS A 27 4.432 3.038 -1.441 1.00 0.00 O ATOM 357 CB HIS A 27 5.827 1.265 -3.729 1.00 0.00 C ATOM 358 CG HIS A 27 6.946 0.658 -2.928 1.00 0.00 C ATOM 359 ND1 HIS A 27 6.730 -0.250 -1.916 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.286 0.829 -2.993 1.00 0.00 C ATOM 361 CE1 HIS A 27 7.888 -0.608 -1.394 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.848 0.032 -2.030 1.00 0.00 N ATOM 0 H HIS A 27 7.334 2.989 -4.683 1.00 0.00 H new ATOM 0 HA HIS A 27 4.665 3.067 -3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.902 0.742 -3.486 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.023 1.092 -4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.816 1.475 -3.678 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.025 -1.307 -0.583 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.846 -0.052 -1.837 1.00 0.00 H new ATOM 371 N LYS A 28 6.635 3.392 -1.421 1.00 0.00 N ATOM 372 CA LYS A 28 6.679 3.626 0.002 1.00 0.00 C ATOM 373 C LYS A 28 6.143 5.008 0.331 1.00 0.00 C ATOM 374 O LYS A 28 5.390 5.172 1.291 1.00 0.00 O ATOM 375 CB LYS A 28 8.100 3.469 0.490 1.00 0.00 C ATOM 376 CG LYS A 28 8.246 3.544 2.002 1.00 0.00 C ATOM 377 CD LYS A 28 9.552 2.924 2.467 1.00 0.00 C ATOM 378 CE LYS A 28 9.679 2.968 3.981 1.00 0.00 C ATOM 379 NZ LYS A 28 10.774 2.094 4.473 1.00 0.00 N ATOM 0 H LYS A 28 7.532 3.492 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 28 6.047 2.896 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.488 2.511 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.717 4.245 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.202 4.585 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.409 3.030 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.608 1.890 2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.390 3.455 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.863 3.994 4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.737 2.658 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.376 1.343 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.267 1.666 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.447 2.660 5.028 1.00 0.00 H new ATOM 393 N ALA A 29 6.529 6.000 -0.474 1.00 0.00 N ATOM 394 CA ALA A 29 5.982 7.342 -0.338 1.00 0.00 C ATOM 395 C ALA A 29 4.470 7.296 -0.459 1.00 0.00 C ATOM 396 O ALA A 29 3.765 8.014 0.236 1.00 0.00 O ATOM 397 CB ALA A 29 6.566 8.283 -1.378 1.00 0.00 C ATOM 0 H ALA A 29 7.215 5.896 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 29 6.253 7.724 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.138 9.277 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.648 8.335 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.332 7.913 -2.376 1.00 0.00 H new ATOM 403 N PHE A 30 3.989 6.425 -1.336 1.00 0.00 N ATOM 404 CA PHE A 30 2.560 6.191 -1.493 1.00 0.00 C ATOM 405 C PHE A 30 1.933 5.803 -0.153 1.00 0.00 C ATOM 406 O PHE A 30 1.002 6.456 0.319 1.00 0.00 O ATOM 407 CB PHE A 30 2.330 5.086 -2.539 1.00 0.00 C ATOM 408 CG PHE A 30 0.882 4.754 -2.793 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.239 3.773 -2.054 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.168 5.418 -3.778 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.086 3.463 -2.290 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.159 5.112 -4.018 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.786 4.133 -3.274 1.00 0.00 C ATOM 0 H PHE A 30 4.574 5.864 -1.955 1.00 0.00 H new ATOM 0 HA PHE A 30 2.083 7.109 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.789 5.392 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.845 4.182 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.781 3.244 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.654 6.183 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.574 2.697 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.704 5.639 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.822 3.891 -3.461 1.00 0.00 H new ATOM 423 N PHE A 31 2.477 4.762 0.473 1.00 0.00 N ATOM 424 CA PHE A 31 1.932 4.242 1.727 1.00 0.00 C ATOM 425 C PHE A 31 1.993 5.277 2.847 1.00 0.00 C ATOM 426 O PHE A 31 1.007 5.493 3.553 1.00 0.00 O ATOM 427 CB PHE A 31 2.674 2.972 2.151 1.00 0.00 C ATOM 428 CG PHE A 31 2.596 1.858 1.142 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.391 1.534 0.536 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.727 1.132 0.806 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.318 0.510 -0.388 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.658 0.107 -0.119 1.00 0.00 C ATOM 433 CZ PHE A 31 2.453 -0.204 -0.716 1.00 0.00 C ATOM 0 H PHE A 31 3.297 4.260 0.132 1.00 0.00 H new ATOM 0 HA PHE A 31 0.884 4.004 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.721 3.216 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.264 2.621 3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.500 2.089 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.672 1.369 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.374 0.268 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.547 -0.450 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.398 -1.005 -1.439 1.00 0.00 H new ATOM 443 N THR A 32 3.139 5.925 3.001 1.00 0.00 N ATOM 444 CA THR A 32 3.326 6.892 4.078 1.00 0.00 C ATOM 445 C THR A 32 2.526 8.175 3.829 1.00 0.00 C ATOM 446 O THR A 32 2.213 8.915 4.763 1.00 0.00 O ATOM 447 CB THR A 32 4.825 7.225 4.291 1.00 0.00 C ATOM 448 OG1 THR A 32 4.979 8.193 5.336 1.00 0.00 O ATOM 449 CG2 THR A 32 5.468 7.748 3.014 1.00 0.00 C ATOM 0 H THR A 32 3.952 5.801 2.397 1.00 0.00 H new ATOM 0 HA THR A 32 2.948 6.427 4.989 1.00 0.00 H new ATOM 0 HB THR A 32 5.327 6.300 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.931 8.392 5.460 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.519 7.971 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.391 6.993 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.956 8.655 2.694 1.00 0.00 H new ATOM 457 N LYS A 33 2.179 8.425 2.575 1.00 0.00 N ATOM 458 CA LYS A 33 1.454 9.635 2.211 1.00 0.00 C ATOM 459 C LYS A 33 -0.045 9.458 2.412 1.00 0.00 C ATOM 460 O LYS A 33 -0.717 10.343 2.944 1.00 0.00 O ATOM 461 CB LYS A 33 1.745 9.995 0.757 1.00 0.00 C ATOM 462 CG LYS A 33 1.272 11.376 0.355 1.00 0.00 C ATOM 463 CD LYS A 33 1.693 11.698 -1.067 1.00 0.00 C ATOM 464 CE LYS A 33 1.420 13.149 -1.407 1.00 0.00 C ATOM 465 NZ LYS A 33 1.922 13.513 -2.760 1.00 0.00 N ATOM 0 H LYS A 33 2.388 7.806 1.791 1.00 0.00 H new ATOM 0 HA LYS A 33 1.791 10.443 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.819 9.926 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.271 9.258 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.187 11.432 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.684 12.119 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.755 11.487 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.157 11.052 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.347 13.337 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.891 13.790 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.729 14.518 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.947 13.343 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.442 12.932 -3.476 1.00 0.00 H new ATOM 479 N VAL A 34 -0.570 8.316 1.987 1.00 0.00 N ATOM 480 CA VAL A 34 -1.984 8.043 2.094 1.00 0.00 C ATOM 481 C VAL A 34 -2.373 7.683 3.525 1.00 0.00 C ATOM 482 O VAL A 34 -3.551 7.703 3.883 1.00 0.00 O ATOM 483 CB VAL A 34 -2.385 6.907 1.141 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.980 7.237 -0.285 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.784 5.578 1.576 1.00 0.00 C ATOM 0 H VAL A 34 -0.027 7.564 1.563 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.519 8.951 1.813 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.470 6.809 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.273 6.420 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.476 8.154 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.900 7.374 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.088 4.796 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.697 5.655 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.137 5.330 2.577 1.00 0.00 H new ATOM 495 N GLY A 35 -1.375 7.356 4.337 1.00 0.00 N ATOM 496 CA GLY A 35 -1.625 7.042 5.727 1.00 0.00 C ATOM 497 C GLY A 35 -1.711 5.551 5.980 1.00 0.00 C ATOM 498 O GLY A 35 -2.211 5.117 7.018 1.00 0.00 O ATOM 0 H GLY A 35 -0.396 7.303 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.830 7.466 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.556 7.515 6.041 1.00 0.00 H new ATOM 502 N LEU A 36 -1.199 4.764 5.045 1.00 0.00 N ATOM 503 CA LEU A 36 -1.318 3.315 5.128 1.00 0.00 C ATOM 504 C LEU A 36 -0.121 2.703 5.847 1.00 0.00 C ATOM 505 O LEU A 36 0.039 1.491 5.880 1.00 0.00 O ATOM 506 CB LEU A 36 -1.470 2.713 3.728 1.00 0.00 C ATOM 507 CG LEU A 36 -2.045 1.296 3.686 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.492 1.291 4.160 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.941 0.719 2.286 1.00 0.00 C ATOM 0 H LEU A 36 -0.699 5.102 4.223 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.210 3.082 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.112 3.366 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.493 2.706 3.245 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.461 0.669 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.883 0.274 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.541 1.662 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.089 1.934 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.355 -0.289 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.499 1.347 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.894 0.684 1.984 1.00 0.00 H new ATOM 521 N ALA A 37 0.725 3.536 6.419 1.00 0.00 N ATOM 522 CA ALA A 37 1.791 3.044 7.275 1.00 0.00 C ATOM 523 C ALA A 37 1.340 3.082 8.735 1.00 0.00 C ATOM 524 O ALA A 37 1.826 2.320 9.572 1.00 0.00 O ATOM 525 CB ALA A 37 3.061 3.855 7.063 1.00 0.00 C ATOM 0 H ALA A 37 0.698 4.550 6.309 1.00 0.00 H new ATOM 0 HA ALA A 37 2.015 2.010 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.849 3.473 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.376 3.773 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.869 4.901 7.302 1.00 0.00 H new ATOM 531 N ALA A 38 0.387 3.966 9.024 1.00 0.00 N ATOM 532 CA ALA A 38 -0.162 4.105 10.369 1.00 0.00 C ATOM 533 C ALA A 38 -1.620 3.649 10.415 1.00 0.00 C ATOM 534 O ALA A 38 -2.406 4.116 11.237 1.00 0.00 O ATOM 535 CB ALA A 38 -0.040 5.547 10.838 1.00 0.00 C ATOM 0 H ALA A 38 -0.023 4.600 8.338 1.00 0.00 H new ATOM 0 HA ALA A 38 0.411 3.466 11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.453 5.639 11.843 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.010 5.838 10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.590 6.198 10.159 1.00 0.00 H new ATOM 541 N LYS A 39 -1.966 2.736 9.521 1.00 0.00 N ATOM 542 CA LYS A 39 -3.318 2.189 9.439 1.00 0.00 C ATOM 543 C LYS A 39 -3.615 1.203 10.564 1.00 0.00 C ATOM 544 O LYS A 39 -2.756 0.897 11.391 1.00 0.00 O ATOM 545 CB LYS A 39 -3.519 1.484 8.092 1.00 0.00 C ATOM 546 CG LYS A 39 -2.271 0.796 7.545 1.00 0.00 C ATOM 547 CD LYS A 39 -1.640 -0.193 8.519 1.00 0.00 C ATOM 548 CE LYS A 39 -0.177 -0.434 8.168 1.00 0.00 C ATOM 549 NZ LYS A 39 0.521 -1.286 9.167 1.00 0.00 N ATOM 0 H LYS A 39 -1.321 2.351 8.831 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.006 3.029 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.310 0.742 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.865 2.215 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.530 0.272 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.534 1.555 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.717 0.191 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.186 -1.136 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.116 -0.907 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.337 0.524 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.512 -1.418 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.489 -0.825 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.051 -2.212 9.223 1.00 0.00 H new ATOM 563 N SER A 40 -4.842 0.707 10.569 1.00 0.00 N ATOM 564 CA SER A 40 -5.253 -0.341 11.482 1.00 0.00 C ATOM 565 C SER A 40 -5.563 -1.612 10.679 1.00 0.00 C ATOM 566 O SER A 40 -5.687 -1.542 9.453 1.00 0.00 O ATOM 567 CB SER A 40 -6.474 0.133 12.277 1.00 0.00 C ATOM 568 OG SER A 40 -6.203 1.368 12.926 1.00 0.00 O ATOM 0 H SER A 40 -5.580 1.022 9.939 1.00 0.00 H new ATOM 0 HA SER A 40 -4.455 -0.569 12.189 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.327 0.247 11.608 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.747 -0.620 13.016 1.00 0.00 H new ATOM 0 HG SER A 40 -6.995 1.655 13.427 1.00 0.00 H new ATOM 574 N PRO A 41 -5.660 -2.786 11.337 1.00 0.00 N ATOM 575 CA PRO A 41 -5.896 -4.073 10.659 1.00 0.00 C ATOM 576 C PRO A 41 -6.993 -4.032 9.588 1.00 0.00 C ATOM 577 O PRO A 41 -6.799 -4.536 8.478 1.00 0.00 O ATOM 578 CB PRO A 41 -6.308 -4.991 11.806 1.00 0.00 C ATOM 579 CG PRO A 41 -5.570 -4.458 12.982 1.00 0.00 C ATOM 580 CD PRO A 41 -5.521 -2.965 12.798 1.00 0.00 C ATOM 0 HA PRO A 41 -5.011 -4.393 10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.386 -4.967 11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.039 -6.028 11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.075 -4.720 13.912 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.566 -4.878 13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.325 -2.468 13.340 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.584 -2.547 13.165 1.00 0.00 H new ATOM 588 N ALA A 42 -8.131 -3.424 9.917 1.00 0.00 N ATOM 589 CA ALA A 42 -9.279 -3.396 9.011 1.00 0.00 C ATOM 590 C ALA A 42 -8.974 -2.612 7.736 1.00 0.00 C ATOM 591 O ALA A 42 -9.449 -2.963 6.650 1.00 0.00 O ATOM 592 CB ALA A 42 -10.491 -2.805 9.715 1.00 0.00 C ATOM 0 H ALA A 42 -8.283 -2.944 10.804 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.498 -4.424 8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.338 -2.790 9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.739 -3.413 10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.265 -1.788 10.036 1.00 0.00 H new ATOM 598 N ASP A 43 -8.162 -1.571 7.871 1.00 0.00 N ATOM 599 CA ASP A 43 -7.808 -0.713 6.749 1.00 0.00 C ATOM 600 C ASP A 43 -7.063 -1.517 5.708 1.00 0.00 C ATOM 601 O ASP A 43 -7.478 -1.626 4.557 1.00 0.00 O ATOM 602 CB ASP A 43 -6.917 0.447 7.208 1.00 0.00 C ATOM 603 CG ASP A 43 -7.603 1.391 8.171 1.00 0.00 C ATOM 604 OD1 ASP A 43 -7.714 1.048 9.365 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.006 2.493 7.749 1.00 0.00 O ATOM 0 H ASP A 43 -7.733 -1.299 8.756 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.728 -0.309 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.023 0.042 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.587 1.009 6.334 1.00 0.00 H new ATOM 610 N ILE A 44 -5.967 -2.106 6.141 1.00 0.00 N ATOM 611 CA ILE A 44 -5.105 -2.859 5.261 1.00 0.00 C ATOM 612 C ILE A 44 -5.780 -4.137 4.763 1.00 0.00 C ATOM 613 O ILE A 44 -5.475 -4.617 3.674 1.00 0.00 O ATOM 614 CB ILE A 44 -3.765 -3.158 5.968 1.00 0.00 C ATOM 615 CG1 ILE A 44 -2.646 -2.404 5.253 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.466 -4.649 6.042 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.265 -2.687 5.794 1.00 0.00 C ATOM 0 H ILE A 44 -5.652 -2.075 7.111 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.901 -2.254 4.378 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.837 -2.815 7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.669 -2.661 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.840 -1.334 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.513 -4.804 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.258 -5.152 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.413 -5.060 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.529 -2.112 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.221 -2.403 6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.047 -3.750 5.696 1.00 0.00 H new ATOM 629 N LYS A 45 -6.720 -4.663 5.542 1.00 0.00 N ATOM 630 CA LYS A 45 -7.440 -5.869 5.150 1.00 0.00 C ATOM 631 C LYS A 45 -8.221 -5.627 3.861 1.00 0.00 C ATOM 632 O LYS A 45 -8.176 -6.435 2.929 1.00 0.00 O ATOM 633 CB LYS A 45 -8.395 -6.314 6.256 1.00 0.00 C ATOM 634 CG LYS A 45 -8.931 -7.721 6.056 1.00 0.00 C ATOM 635 CD LYS A 45 -7.839 -8.766 6.248 1.00 0.00 C ATOM 636 CE LYS A 45 -8.352 -10.161 5.955 1.00 0.00 C ATOM 637 NZ LYS A 45 -7.400 -11.205 6.406 1.00 0.00 N ATOM 0 H LYS A 45 -7.000 -4.276 6.443 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.708 -6.659 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.879 -6.262 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.232 -5.617 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.742 -7.906 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.352 -7.812 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.998 -8.541 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.466 -8.721 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.312 -10.306 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.526 -10.266 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.787 -12.145 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.492 -11.082 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.253 -11.121 7.432 1.00 0.00 H new ATOM 651 N LYS A 46 -8.920 -4.502 3.796 1.00 0.00 N ATOM 652 CA LYS A 46 -9.685 -4.181 2.602 1.00 0.00 C ATOM 653 C LYS A 46 -8.740 -3.782 1.473 1.00 0.00 C ATOM 654 O LYS A 46 -9.067 -3.914 0.293 1.00 0.00 O ATOM 655 CB LYS A 46 -10.738 -3.095 2.890 1.00 0.00 C ATOM 656 CG LYS A 46 -10.185 -1.725 3.267 1.00 0.00 C ATOM 657 CD LYS A 46 -9.795 -0.893 2.045 1.00 0.00 C ATOM 658 CE LYS A 46 -11.007 -0.318 1.312 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.872 -1.365 0.704 1.00 0.00 N ATOM 0 H LYS A 46 -8.973 -3.808 4.542 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.234 -5.067 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.368 -2.982 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.381 -3.443 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.931 -1.183 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.313 -1.853 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.144 -0.077 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.220 -1.513 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.599 0.274 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.664 0.360 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.347 -0.978 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.288 -2.180 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.587 -1.669 1.395 1.00 0.00 H new ATOM 673 N VAL A 47 -7.553 -3.306 1.843 1.00 0.00 N ATOM 674 CA VAL A 47 -6.520 -3.012 0.863 1.00 0.00 C ATOM 675 C VAL A 47 -6.045 -4.306 0.208 1.00 0.00 C ATOM 676 O VAL A 47 -5.742 -4.339 -0.989 1.00 0.00 O ATOM 677 CB VAL A 47 -5.330 -2.254 1.491 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.224 -2.039 0.470 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.791 -0.918 2.053 1.00 0.00 C ATOM 0 H VAL A 47 -7.287 -3.118 2.810 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.953 -2.360 0.104 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.933 -2.861 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.397 -1.503 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.872 -3.004 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.609 -1.455 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.941 -0.395 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.214 -0.313 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.548 -1.087 2.819 1.00 0.00 H new ATOM 689 N PHE A 48 -6.016 -5.379 0.994 1.00 0.00 N ATOM 690 CA PHE A 48 -5.720 -6.706 0.470 1.00 0.00 C ATOM 691 C PHE A 48 -6.744 -7.084 -0.591 1.00 0.00 C ATOM 692 O PHE A 48 -6.413 -7.703 -1.602 1.00 0.00 O ATOM 693 CB PHE A 48 -5.717 -7.751 1.588 1.00 0.00 C ATOM 694 CG PHE A 48 -4.602 -7.596 2.586 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.541 -6.733 2.349 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.614 -8.325 3.763 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.519 -6.602 3.267 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.595 -8.198 4.684 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.545 -7.336 4.436 1.00 0.00 C ATOM 0 H PHE A 48 -6.195 -5.353 1.998 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.726 -6.683 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.669 -7.702 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.651 -8.743 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.515 -6.157 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.432 -9.002 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.700 -5.926 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.618 -8.772 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.746 -7.236 5.155 1.00 0.00 H new ATOM 709 N GLU A 49 -7.989 -6.693 -0.353 1.00 0.00 N ATOM 710 CA GLU A 49 -9.055 -6.915 -1.323 1.00 0.00 C ATOM 711 C GLU A 49 -8.869 -6.031 -2.560 1.00 0.00 C ATOM 712 O GLU A 49 -9.447 -6.298 -3.607 1.00 0.00 O ATOM 713 CB GLU A 49 -10.421 -6.637 -0.695 1.00 0.00 C ATOM 714 CG GLU A 49 -10.711 -7.465 0.545 1.00 0.00 C ATOM 715 CD GLU A 49 -12.076 -7.168 1.129 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.228 -6.130 1.806 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.010 -7.962 0.903 1.00 0.00 O ATOM 0 H GLU A 49 -8.286 -6.221 0.501 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.008 -7.960 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.482 -5.580 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.196 -6.829 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.648 -8.524 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.946 -7.269 1.297 1.00 0.00 H new ATOM 724 N ILE A 50 -8.082 -4.965 -2.427 1.00 0.00 N ATOM 725 CA ILE A 50 -7.834 -4.058 -3.549 1.00 0.00 C ATOM 726 C ILE A 50 -6.890 -4.662 -4.597 1.00 0.00 C ATOM 727 O ILE A 50 -7.183 -4.595 -5.792 1.00 0.00 O ATOM 728 CB ILE A 50 -7.266 -2.702 -3.088 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.180 -2.063 -2.047 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.107 -1.768 -4.277 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.618 -0.786 -1.465 1.00 0.00 C ATOM 0 H ILE A 50 -7.608 -4.708 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.810 -3.898 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.289 -2.875 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.147 -1.852 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.356 -2.775 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.705 -0.813 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.424 -2.213 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.078 -1.607 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.316 -0.382 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.664 -0.996 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.468 -0.058 -2.262 1.00 0.00 H new ATOM 743 N ILE A 51 -5.757 -5.248 -4.172 1.00 0.00 N ATOM 744 CA ILE A 51 -4.826 -5.843 -5.146 1.00 0.00 C ATOM 745 C ILE A 51 -5.498 -7.009 -5.840 1.00 0.00 C ATOM 746 O ILE A 51 -5.219 -7.305 -7.002 1.00 0.00 O ATOM 747 CB ILE A 51 -3.453 -6.304 -4.571 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.585 -6.965 -3.188 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.488 -5.134 -4.517 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.463 -5.999 -2.026 1.00 0.00 C ATOM 0 H ILE A 51 -5.470 -5.322 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.589 -5.038 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.058 -7.064 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.550 -7.468 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.818 -7.733 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.532 -5.469 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.339 -4.739 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.898 -4.353 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.567 -6.544 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.488 -5.514 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.246 -5.244 -2.096 1.00 0.00 H new ATOM 762 N ASP A 52 -6.398 -7.659 -5.122 1.00 0.00 N ATOM 763 CA ASP A 52 -7.270 -8.642 -5.726 1.00 0.00 C ATOM 764 C ASP A 52 -8.487 -7.916 -6.275 1.00 0.00 C ATOM 765 O ASP A 52 -9.583 -8.038 -5.739 1.00 0.00 O ATOM 766 CB ASP A 52 -7.697 -9.699 -4.701 1.00 0.00 C ATOM 767 CG ASP A 52 -8.277 -10.955 -5.334 1.00 0.00 C ATOM 768 OD1 ASP A 52 -8.383 -11.031 -6.584 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.633 -11.883 -4.589 1.00 0.00 O ATOM 0 H ASP A 52 -6.541 -7.521 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.743 -9.159 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.835 -9.973 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.437 -9.265 -4.029 1.00 0.00 H new ATOM 774 N GLN A 53 -8.266 -7.136 -7.331 1.00 0.00 N ATOM 775 CA GLN A 53 -9.300 -6.282 -7.915 1.00 0.00 C ATOM 776 C GLN A 53 -10.587 -7.058 -8.158 1.00 0.00 C ATOM 777 O GLN A 53 -11.674 -6.636 -7.762 1.00 0.00 O ATOM 778 CB GLN A 53 -8.805 -5.693 -9.235 1.00 0.00 C ATOM 779 CG GLN A 53 -9.805 -4.753 -9.885 1.00 0.00 C ATOM 780 CD GLN A 53 -9.392 -4.311 -11.275 1.00 0.00 C ATOM 781 OE1 GLN A 53 -9.712 -3.205 -11.703 1.00 0.00 O ATOM 782 NE2 GLN A 53 -8.695 -5.176 -11.999 1.00 0.00 N ATOM 0 H GLN A 53 -7.365 -7.078 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.510 -5.480 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.873 -5.156 -9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.579 -6.506 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.775 -5.247 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.931 -3.874 -9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.448 -6.085 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.406 -4.932 -12.946 1.00 0.00 H new ATOM 791 N ASP A 54 -10.445 -8.192 -8.813 1.00 0.00 N ATOM 792 CA ASP A 54 -11.587 -9.067 -9.101 1.00 0.00 C ATOM 793 C ASP A 54 -12.006 -9.858 -7.854 1.00 0.00 C ATOM 794 O ASP A 54 -13.126 -10.365 -7.785 1.00 0.00 O ATOM 795 CB ASP A 54 -11.255 -10.032 -10.243 1.00 0.00 C ATOM 796 CG ASP A 54 -10.371 -11.181 -9.806 1.00 0.00 C ATOM 797 OD1 ASP A 54 -9.402 -10.950 -9.054 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.640 -12.334 -10.203 1.00 0.00 O ATOM 0 H ASP A 54 -9.551 -8.539 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.420 -8.433 -9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.182 -10.430 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.759 -9.483 -11.043 1.00 0.00 H new ATOM 803 N LYS A 55 -11.099 -9.953 -6.883 1.00 0.00 N ATOM 804 CA LYS A 55 -11.378 -10.583 -5.590 1.00 0.00 C ATOM 805 C LYS A 55 -11.788 -12.051 -5.732 1.00 0.00 C ATOM 806 O LYS A 55 -12.938 -12.430 -5.492 1.00 0.00 O ATOM 807 CB LYS A 55 -12.399 -9.763 -4.800 1.00 0.00 C ATOM 808 CG LYS A 55 -12.695 -10.311 -3.411 1.00 0.00 C ATOM 809 CD LYS A 55 -13.443 -9.298 -2.557 1.00 0.00 C ATOM 810 CE LYS A 55 -14.677 -8.762 -3.264 1.00 0.00 C ATOM 811 NZ LYS A 55 -15.646 -9.835 -3.613 1.00 0.00 N ATOM 0 H LYS A 55 -10.148 -9.595 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.450 -10.592 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.033 -8.741 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.329 -9.717 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.287 -11.222 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.761 -10.583 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.737 -9.763 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.778 -8.470 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.168 -8.028 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.374 -8.242 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.512 -9.408 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.224 -10.466 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.881 -10.382 -2.760 1.00 0.00 H new ATOM 825 N SER A 56 -10.839 -12.867 -6.170 1.00 0.00 N ATOM 826 CA SER A 56 -11.058 -14.301 -6.310 1.00 0.00 C ATOM 827 C SER A 56 -9.959 -15.087 -5.590 1.00 0.00 C ATOM 828 O SER A 56 -9.574 -16.171 -6.026 1.00 0.00 O ATOM 829 CB SER A 56 -11.099 -14.684 -7.789 1.00 0.00 C ATOM 830 OG SER A 56 -11.975 -13.832 -8.508 1.00 0.00 O ATOM 0 H SER A 56 -9.904 -12.558 -6.436 1.00 0.00 H new ATOM 0 HA SER A 56 -12.015 -14.551 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.097 -14.623 -8.213 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.426 -15.719 -7.892 1.00 0.00 H new ATOM 0 HG SER A 56 -11.533 -13.525 -9.327 1.00 0.00 H new ATOM 836 N ASP A 57 -9.446 -14.507 -4.501 1.00 0.00 N ATOM 837 CA ASP A 57 -8.426 -15.139 -3.646 1.00 0.00 C ATOM 838 C ASP A 57 -7.077 -15.238 -4.352 1.00 0.00 C ATOM 839 O ASP A 57 -6.164 -15.919 -3.885 1.00 0.00 O ATOM 840 CB ASP A 57 -8.871 -16.525 -3.163 1.00 0.00 C ATOM 841 CG ASP A 57 -10.056 -16.462 -2.223 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.877 -16.045 -1.058 1.00 0.00 O ATOM 843 OD2 ASP A 57 -11.177 -16.826 -2.643 1.00 0.00 O ATOM 0 H ASP A 57 -9.726 -13.579 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.308 -14.494 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.128 -17.141 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.038 -17.015 -2.659 1.00 0.00 H new ATOM 848 N PHE A 58 -6.955 -14.544 -5.471 1.00 0.00 N ATOM 849 CA PHE A 58 -5.715 -14.506 -6.238 1.00 0.00 C ATOM 850 C PHE A 58 -5.546 -13.121 -6.834 1.00 0.00 C ATOM 851 O PHE A 58 -6.484 -12.576 -7.409 1.00 0.00 O ATOM 852 CB PHE A 58 -5.717 -15.560 -7.352 1.00 0.00 C ATOM 853 CG PHE A 58 -5.700 -16.978 -6.854 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.521 -17.552 -6.404 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.860 -17.735 -6.830 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.501 -18.853 -5.939 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.846 -19.036 -6.365 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.665 -19.596 -5.920 1.00 0.00 C ATOM 0 H PHE A 58 -7.710 -13.991 -5.876 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.883 -14.730 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.601 -15.415 -7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.848 -15.400 -7.991 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.608 -16.976 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.786 -17.303 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.576 -19.288 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.758 -19.614 -6.350 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.652 -20.613 -5.558 1.00 0.00 H new ATOM 868 N VAL A 59 -4.367 -12.546 -6.684 1.00 0.00 N ATOM 869 CA VAL A 59 -4.126 -11.178 -7.119 1.00 0.00 C ATOM 870 C VAL A 59 -2.886 -11.118 -8.035 1.00 0.00 C ATOM 871 O VAL A 59 -1.749 -11.089 -7.588 1.00 0.00 O ATOM 872 CB VAL A 59 -4.061 -10.228 -5.876 1.00 0.00 C ATOM 873 CG1 VAL A 59 -4.179 -11.009 -4.578 1.00 0.00 C ATOM 874 CG2 VAL A 59 -2.834 -9.350 -5.829 1.00 0.00 C ATOM 0 H VAL A 59 -3.558 -13.004 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.956 -10.819 -7.728 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.917 -9.563 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.130 -10.321 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.130 -11.541 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.361 -11.726 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.868 -8.724 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.941 -9.974 -5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.806 -8.717 -6.716 1.00 0.00 H new ATOM 884 N GLU A 60 -3.137 -11.184 -9.340 1.00 0.00 N ATOM 885 CA GLU A 60 -2.074 -11.283 -10.342 1.00 0.00 C ATOM 886 C GLU A 60 -1.659 -9.899 -10.879 1.00 0.00 C ATOM 887 O GLU A 60 -2.229 -8.886 -10.479 1.00 0.00 O ATOM 888 CB GLU A 60 -2.561 -12.192 -11.479 1.00 0.00 C ATOM 889 CG GLU A 60 -1.465 -12.712 -12.394 1.00 0.00 C ATOM 890 CD GLU A 60 -2.001 -13.658 -13.444 1.00 0.00 C ATOM 891 OE1 GLU A 60 -2.641 -13.183 -14.404 1.00 0.00 O ATOM 892 OE2 GLU A 60 -1.799 -14.882 -13.309 1.00 0.00 O ATOM 0 H GLU A 60 -4.078 -11.171 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.186 -11.711 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.087 -13.043 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.286 -11.642 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.972 -11.871 -12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.709 -13.223 -11.799 1.00 0.00 H new ATOM 899 N GLU A 61 -0.672 -9.860 -11.780 1.00 0.00 N ATOM 900 CA GLU A 61 -0.201 -8.603 -12.375 1.00 0.00 C ATOM 901 C GLU A 61 -1.323 -7.829 -13.063 1.00 0.00 C ATOM 902 O GLU A 61 -1.388 -6.610 -12.938 1.00 0.00 O ATOM 903 CB GLU A 61 0.945 -8.859 -13.363 1.00 0.00 C ATOM 904 CG GLU A 61 1.108 -7.774 -14.430 1.00 0.00 C ATOM 905 CD GLU A 61 2.451 -7.830 -15.118 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.727 -8.823 -15.826 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.233 -6.871 -14.957 1.00 0.00 O ATOM 0 H GLU A 61 -0.181 -10.689 -12.115 1.00 0.00 H new ATOM 0 HA GLU A 61 0.167 -7.988 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.877 -8.947 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.777 -9.816 -13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.319 -7.880 -15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.981 -6.795 -13.969 1.00 0.00 H new ATOM 914 N ASP A 62 -2.200 -8.520 -13.789 1.00 0.00 N ATOM 915 CA ASP A 62 -3.324 -7.847 -14.455 1.00 0.00 C ATOM 916 C ASP A 62 -4.196 -7.138 -13.435 1.00 0.00 C ATOM 917 O ASP A 62 -4.798 -6.103 -13.717 1.00 0.00 O ATOM 918 CB ASP A 62 -4.172 -8.831 -15.265 1.00 0.00 C ATOM 919 CG ASP A 62 -3.614 -9.078 -16.650 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.715 -8.175 -17.505 1.00 0.00 O ATOM 921 OD2 ASP A 62 -3.075 -10.178 -16.894 1.00 0.00 O ATOM 0 H ASP A 62 -2.160 -9.529 -13.933 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.904 -7.115 -15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.235 -9.778 -14.729 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.188 -8.445 -15.350 1.00 0.00 H new ATOM 926 N GLU A 63 -4.231 -7.692 -12.238 1.00 0.00 N ATOM 927 CA GLU A 63 -4.980 -7.106 -11.149 1.00 0.00 C ATOM 928 C GLU A 63 -4.200 -5.967 -10.527 1.00 0.00 C ATOM 929 O GLU A 63 -4.756 -4.921 -10.262 1.00 0.00 O ATOM 930 CB GLU A 63 -5.299 -8.169 -10.117 1.00 0.00 C ATOM 931 CG GLU A 63 -6.165 -9.271 -10.679 1.00 0.00 C ATOM 932 CD GLU A 63 -6.311 -10.423 -9.731 1.00 0.00 C ATOM 933 OE1 GLU A 63 -6.976 -10.258 -8.698 1.00 0.00 O ATOM 934 OE2 GLU A 63 -5.779 -11.506 -10.011 1.00 0.00 O ATOM 0 H GLU A 63 -3.744 -8.555 -11.997 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.916 -6.703 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.370 -8.596 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.806 -7.709 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.151 -8.870 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.734 -9.627 -11.615 1.00 0.00 H new ATOM 941 N LEU A 64 -2.902 -6.165 -10.332 1.00 0.00 N ATOM 942 CA LEU A 64 -2.022 -5.107 -9.832 1.00 0.00 C ATOM 943 C LEU A 64 -1.973 -3.947 -10.812 1.00 0.00 C ATOM 944 O LEU A 64 -1.551 -2.844 -10.479 1.00 0.00 O ATOM 945 CB LEU A 64 -0.607 -5.636 -9.603 1.00 0.00 C ATOM 946 CG LEU A 64 -0.279 -6.016 -8.163 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.349 -4.798 -7.261 1.00 0.00 C ATOM 948 CD2 LEU A 64 -1.218 -7.102 -7.672 1.00 0.00 C ATOM 0 H LEU A 64 -2.430 -7.051 -10.512 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.428 -4.760 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.457 -6.511 -10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.104 -4.879 -9.933 1.00 0.00 H new ATOM 0 HG LEU A 64 0.739 -6.405 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.112 -5.089 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.369 -4.051 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.354 -4.377 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.969 -7.360 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.246 -6.742 -7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.115 -7.985 -8.303 1.00 0.00 H new ATOM 960 N LYS A 65 -2.372 -4.224 -12.031 1.00 0.00 N ATOM 961 CA LYS A 65 -2.407 -3.227 -13.068 1.00 0.00 C ATOM 962 C LYS A 65 -3.554 -2.263 -12.818 1.00 0.00 C ATOM 963 O LYS A 65 -3.370 -1.052 -12.795 1.00 0.00 O ATOM 964 CB LYS A 65 -2.586 -3.921 -14.422 1.00 0.00 C ATOM 965 CG LYS A 65 -1.880 -3.250 -15.589 1.00 0.00 C ATOM 966 CD LYS A 65 -0.361 -3.244 -15.428 1.00 0.00 C ATOM 967 CE LYS A 65 0.186 -4.555 -14.923 1.00 0.00 C ATOM 968 NZ LYS A 65 1.659 -4.635 -15.135 1.00 0.00 N ATOM 0 H LYS A 65 -2.681 -5.149 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.474 -2.664 -13.070 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.223 -4.945 -14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.651 -3.977 -14.646 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.142 -3.765 -16.513 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.236 -2.224 -15.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.099 -3.011 -16.388 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.078 -2.449 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.039 -4.663 -13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.305 -5.381 -15.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.007 -5.560 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.871 -4.521 -16.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.129 -3.880 -14.596 1.00 0.00 H new ATOM 982 N LEU A 66 -4.744 -2.810 -12.640 1.00 0.00 N ATOM 983 CA LEU A 66 -5.934 -1.991 -12.466 1.00 0.00 C ATOM 984 C LEU A 66 -6.383 -1.917 -11.008 1.00 0.00 C ATOM 985 O LEU A 66 -7.417 -1.320 -10.699 1.00 0.00 O ATOM 986 CB LEU A 66 -7.045 -2.507 -13.370 1.00 0.00 C ATOM 987 CG LEU A 66 -6.637 -2.631 -14.839 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.839 -2.957 -15.708 1.00 0.00 C ATOM 989 CD2 LEU A 66 -5.946 -1.353 -15.305 1.00 0.00 C ATOM 0 H LEU A 66 -4.913 -3.815 -12.612 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.688 -0.969 -12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.371 -3.483 -13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.902 -1.837 -13.296 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.929 -3.454 -14.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.524 -3.040 -16.748 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.276 -3.902 -15.385 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.581 -2.163 -15.616 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.661 -1.455 -16.352 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.628 -0.510 -15.195 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.055 -1.180 -14.701 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.602 -2.503 -10.105 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.935 -2.460 -8.683 1.00 0.00 C ATOM 1003 C PHE A 67 -5.948 -1.002 -8.236 1.00 0.00 C ATOM 1004 O PHE A 67 -6.602 -0.637 -7.266 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.957 -3.294 -7.828 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.835 -2.528 -7.168 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.683 -2.217 -7.863 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -3.931 -2.142 -5.839 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.649 -1.533 -7.253 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.903 -1.455 -5.224 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.759 -1.151 -5.931 1.00 0.00 C ATOM 0 H PHE A 67 -4.744 -3.008 -10.328 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.919 -2.906 -8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.528 -3.804 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.520 -4.066 -8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.589 -2.512 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.822 -2.382 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.755 -1.297 -7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.995 -1.156 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.952 -0.616 -5.452 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.209 -0.173 -8.973 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.200 1.264 -8.751 1.00 0.00 C ATOM 1023 C LEU A 68 -6.593 1.828 -8.946 1.00 0.00 C ATOM 1024 O LEU A 68 -7.058 2.639 -8.154 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.243 1.985 -9.715 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.758 1.616 -9.634 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.264 1.656 -8.197 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.500 0.260 -10.273 1.00 0.00 C ATOM 0 H LEU A 68 -4.605 -0.481 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.859 1.430 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.583 1.796 -10.733 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.334 3.057 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.193 2.359 -10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.207 1.390 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.397 2.660 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.833 0.946 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.439 0.021 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.079 -0.503 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.797 0.289 -11.321 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.257 1.373 -10.000 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.606 1.819 -10.309 1.00 0.00 C ATOM 1042 C GLN A 69 -9.585 1.257 -9.290 1.00 0.00 C ATOM 1043 O GLN A 69 -10.724 1.710 -9.188 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.003 1.390 -11.721 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.124 1.992 -12.806 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.546 1.567 -14.197 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.718 1.292 -14.450 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.594 1.524 -15.115 1.00 0.00 N ATOM 0 H GLN A 69 -6.879 0.691 -10.658 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.634 2.908 -10.262 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.957 0.303 -11.789 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.039 1.677 -11.902 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.159 3.079 -12.736 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.089 1.695 -12.637 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.634 1.759 -14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.821 1.255 -16.073 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.131 0.261 -8.540 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.930 -0.285 -7.448 1.00 0.00 C ATOM 1059 C ASN A 70 -9.691 0.539 -6.187 1.00 0.00 C ATOM 1060 O ASN A 70 -10.596 0.744 -5.376 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.578 -1.754 -7.198 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.556 -2.438 -6.258 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -10.384 -2.431 -5.039 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -11.589 -3.042 -6.822 1.00 0.00 N ATOM 0 H ASN A 70 -8.221 -0.183 -8.665 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.984 -0.234 -7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.561 -2.286 -8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.573 -1.817 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.277 -3.524 -6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.698 -3.026 -7.836 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.457 1.010 -6.041 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.083 1.904 -4.954 1.00 0.00 C ATOM 1073 C PHE A 71 -8.799 3.240 -5.127 1.00 0.00 C ATOM 1074 O PHE A 71 -9.387 3.774 -4.188 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.567 2.124 -4.956 1.00 0.00 C ATOM 1076 CG PHE A 71 -5.915 1.949 -3.613 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.342 2.675 -2.514 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -4.862 1.060 -3.455 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -5.733 2.517 -1.283 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.251 0.898 -2.227 1.00 0.00 C ATOM 1081 CZ PHE A 71 -4.687 1.628 -1.139 1.00 0.00 C ATOM 0 H PHE A 71 -7.689 0.782 -6.673 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.374 1.457 -4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.112 1.429 -5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.358 3.130 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.160 3.372 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.516 0.487 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.076 3.089 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.433 0.201 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.211 1.504 -0.178 1.00 0.00 H new ATOM 1091 N SER A 72 -8.731 3.766 -6.340 1.00 0.00 N ATOM 1092 CA SER A 72 -9.422 4.988 -6.712 1.00 0.00 C ATOM 1093 C SER A 72 -9.753 4.938 -8.200 1.00 0.00 C ATOM 1094 O SER A 72 -8.908 4.596 -9.025 1.00 0.00 O ATOM 1095 CB SER A 72 -8.554 6.208 -6.393 1.00 0.00 C ATOM 1096 OG SER A 72 -8.242 6.263 -5.010 1.00 0.00 O ATOM 0 H SER A 72 -8.190 3.352 -7.099 1.00 0.00 H new ATOM 0 HA SER A 72 -10.346 5.074 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.634 6.166 -6.976 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.077 7.118 -6.688 1.00 0.00 H new ATOM 0 HG SER A 72 -7.686 7.050 -4.831 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.000 5.274 -8.519 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.557 5.103 -9.860 1.00 0.00 C ATOM 1104 C ALA A 73 -10.713 5.761 -10.946 1.00 0.00 C ATOM 1105 O ALA A 73 -10.680 5.284 -12.081 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.974 5.644 -9.902 1.00 0.00 C ATOM 0 H ALA A 73 -11.658 5.675 -7.851 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.558 4.033 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.384 5.514 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.591 5.103 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.966 6.704 -9.648 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.053 6.859 -10.609 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.199 7.530 -11.569 1.00 0.00 C ATOM 1114 C GLY A 74 -7.744 7.483 -11.160 1.00 0.00 C ATOM 1115 O GLY A 74 -7.182 8.491 -10.730 1.00 0.00 O ATOM 0 H GLY A 74 -10.093 7.298 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.316 7.064 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.514 8.569 -11.671 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.140 6.312 -11.263 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.746 6.133 -10.890 1.00 0.00 C ATOM 1121 C ALA A 75 -4.930 5.588 -12.056 1.00 0.00 C ATOM 1122 O ALA A 75 -5.450 4.853 -12.895 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.649 5.202 -9.698 1.00 0.00 C ATOM 0 H ALA A 75 -7.596 5.466 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.334 7.106 -10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.602 5.071 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.195 5.630 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.080 4.235 -9.956 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.654 5.962 -12.102 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.741 5.476 -13.125 1.00 0.00 C ATOM 1131 C ARG A 76 -2.390 4.016 -12.894 1.00 0.00 C ATOM 1132 O ARG A 76 -2.011 3.635 -11.788 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.446 6.295 -13.146 1.00 0.00 C ATOM 1134 CG ARG A 76 -1.629 7.737 -13.592 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.011 8.665 -12.450 1.00 0.00 C ATOM 1136 NE ARG A 76 -2.213 10.032 -12.927 1.00 0.00 N ATOM 1137 CZ ARG A 76 -2.400 11.090 -12.137 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -2.398 10.954 -10.816 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -2.583 12.289 -12.676 1.00 0.00 N ATOM 0 H ARG A 76 -3.229 6.606 -11.435 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.251 5.581 -14.082 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.008 6.288 -12.148 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.732 5.808 -13.811 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.704 8.091 -14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.400 7.779 -14.361 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.923 8.304 -11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.229 8.653 -11.691 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.211 10.188 -13.935 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.253 10.035 -10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.542 11.769 -10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.580 12.398 -13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.726 13.101 -12.076 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.513 3.209 -13.937 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.119 1.813 -13.864 1.00 0.00 C ATOM 1155 C ALA A 77 -0.603 1.693 -13.864 1.00 0.00 C ATOM 1156 O ALA A 77 0.065 2.148 -14.792 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.707 1.021 -15.023 1.00 0.00 C ATOM 0 H ALA A 77 -2.882 3.498 -14.843 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.508 1.398 -12.934 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.397 -0.021 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.795 1.080 -14.989 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.350 1.436 -15.966 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.067 1.108 -12.805 1.00 0.00 N ATOM 1164 CA LEU A 78 1.363 0.851 -12.709 1.00 0.00 C ATOM 1165 C LEU A 78 1.779 -0.117 -13.805 1.00 0.00 C ATOM 1166 O LEU A 78 1.336 -1.263 -13.826 1.00 0.00 O ATOM 1167 CB LEU A 78 1.709 0.273 -11.335 1.00 0.00 C ATOM 1168 CG LEU A 78 1.922 1.291 -10.205 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.823 2.349 -10.177 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.982 0.562 -8.875 1.00 0.00 C ATOM 0 H LEU A 78 -0.604 0.800 -11.994 1.00 0.00 H new ATOM 0 HA LEU A 78 1.903 1.789 -12.833 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.910 -0.406 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.615 -0.325 -11.433 1.00 0.00 H new ATOM 0 HG LEU A 78 2.864 1.808 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.012 3.049 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.813 2.888 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.142 1.867 -10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.133 1.283 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.047 0.027 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.809 -0.148 -8.886 1.00 0.00 H new ATOM 1182 N SER A 79 2.626 0.346 -14.708 1.00 0.00 N ATOM 1183 CA SER A 79 2.960 -0.416 -15.898 1.00 0.00 C ATOM 1184 C SER A 79 4.402 -0.913 -15.887 1.00 0.00 C ATOM 1185 O SER A 79 5.262 -0.352 -15.209 1.00 0.00 O ATOM 1186 CB SER A 79 2.717 0.454 -17.132 1.00 0.00 C ATOM 1187 OG SER A 79 3.302 1.737 -16.967 1.00 0.00 O ATOM 0 H SER A 79 3.096 1.249 -14.639 1.00 0.00 H new ATOM 0 HA SER A 79 2.321 -1.298 -15.921 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.137 -0.031 -18.013 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.646 0.557 -17.305 1.00 0.00 H new ATOM 0 HG SER A 79 4.171 1.761 -17.419 1.00 0.00 H new ATOM 1193 N ASP A 80 4.631 -1.989 -16.633 1.00 0.00 N ATOM 1194 CA ASP A 80 5.970 -2.514 -16.902 1.00 0.00 C ATOM 1195 C ASP A 80 6.762 -2.787 -15.628 1.00 0.00 C ATOM 1196 O ASP A 80 6.441 -3.709 -14.873 1.00 0.00 O ATOM 1197 CB ASP A 80 6.737 -1.564 -17.833 1.00 0.00 C ATOM 1198 CG ASP A 80 7.982 -2.198 -18.423 1.00 0.00 C ATOM 1199 OD1 ASP A 80 7.866 -2.901 -19.447 1.00 0.00 O ATOM 1200 OD2 ASP A 80 9.079 -2.003 -17.863 1.00 0.00 O ATOM 0 H ASP A 80 3.886 -2.528 -17.074 1.00 0.00 H new ATOM 0 HA ASP A 80 5.845 -3.476 -17.400 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.079 -1.245 -18.641 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.018 -0.668 -17.279 1.00 0.00 H new ATOM 1205 N ALA A 81 7.780 -1.982 -15.379 1.00 0.00 N ATOM 1206 CA ALA A 81 8.719 -2.270 -14.317 1.00 0.00 C ATOM 1207 C ALA A 81 8.181 -1.860 -12.957 1.00 0.00 C ATOM 1208 O ALA A 81 8.643 -2.359 -11.931 1.00 0.00 O ATOM 1209 CB ALA A 81 10.052 -1.595 -14.590 1.00 0.00 C ATOM 0 H ALA A 81 7.975 -1.126 -15.898 1.00 0.00 H new ATOM 0 HA ALA A 81 8.868 -3.350 -14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.747 -1.822 -13.782 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.459 -1.962 -15.532 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.908 -0.516 -14.652 1.00 0.00 H new ATOM 1215 N GLU A 82 7.207 -0.959 -12.946 1.00 0.00 N ATOM 1216 CA GLU A 82 6.618 -0.497 -11.698 1.00 0.00 C ATOM 1217 C GLU A 82 5.925 -1.655 -11.036 1.00 0.00 C ATOM 1218 O GLU A 82 6.194 -1.967 -9.885 1.00 0.00 O ATOM 1219 CB GLU A 82 5.616 0.637 -11.933 1.00 0.00 C ATOM 1220 CG GLU A 82 6.026 1.597 -13.033 1.00 0.00 C ATOM 1221 CD GLU A 82 7.407 2.183 -12.825 1.00 0.00 C ATOM 1222 OE1 GLU A 82 7.528 3.219 -12.142 1.00 0.00 O ATOM 1223 OE2 GLU A 82 8.386 1.610 -13.349 1.00 0.00 O ATOM 0 H GLU A 82 6.810 -0.535 -13.785 1.00 0.00 H new ATOM 0 HA GLU A 82 7.412 -0.109 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.646 0.207 -12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.489 1.195 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.999 1.076 -13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.299 2.407 -13.090 1.00 0.00 H new ATOM 1230 N THR A 83 5.062 -2.313 -11.791 1.00 0.00 N ATOM 1231 CA THR A 83 4.367 -3.486 -11.294 1.00 0.00 C ATOM 1232 C THR A 83 5.370 -4.555 -10.880 1.00 0.00 C ATOM 1233 O THR A 83 5.198 -5.210 -9.864 1.00 0.00 O ATOM 1234 CB THR A 83 3.435 -4.080 -12.357 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.113 -3.084 -13.336 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.157 -4.602 -11.719 1.00 0.00 C ATOM 0 H THR A 83 4.827 -2.055 -12.749 1.00 0.00 H new ATOM 0 HA THR A 83 3.773 -3.171 -10.437 1.00 0.00 H new ATOM 0 HB THR A 83 3.949 -4.911 -12.840 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.286 -2.626 -13.077 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.509 -5.019 -12.490 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.403 -5.377 -10.993 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.641 -3.784 -11.216 1.00 0.00 H new ATOM 1244 N LYS A 84 6.427 -4.697 -11.670 1.00 0.00 N ATOM 1245 CA LYS A 84 7.447 -5.712 -11.430 1.00 0.00 C ATOM 1246 C LYS A 84 8.086 -5.561 -10.048 1.00 0.00 C ATOM 1247 O LYS A 84 7.986 -6.456 -9.205 1.00 0.00 O ATOM 1248 CB LYS A 84 8.523 -5.624 -12.514 1.00 0.00 C ATOM 1249 CG LYS A 84 9.666 -6.607 -12.330 1.00 0.00 C ATOM 1250 CD LYS A 84 9.211 -8.053 -12.495 1.00 0.00 C ATOM 1251 CE LYS A 84 8.733 -8.334 -13.913 1.00 0.00 C ATOM 1252 NZ LYS A 84 8.292 -9.743 -14.087 1.00 0.00 N ATOM 0 H LYS A 84 6.602 -4.116 -12.490 1.00 0.00 H new ATOM 0 HA LYS A 84 6.964 -6.688 -11.465 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.061 -5.798 -13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.927 -4.612 -12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.451 -6.389 -13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.101 -6.475 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.034 -8.724 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.406 -8.264 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.908 -7.664 -14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.538 -8.117 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.975 -9.889 -15.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.085 -10.383 -13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.507 -9.944 -13.436 1.00 0.00 H new ATOM 1266 N VAL A 85 8.727 -4.425 -9.814 1.00 0.00 N ATOM 1267 CA VAL A 85 9.434 -4.193 -8.560 1.00 0.00 C ATOM 1268 C VAL A 85 8.446 -4.002 -7.405 1.00 0.00 C ATOM 1269 O VAL A 85 8.750 -4.316 -6.251 1.00 0.00 O ATOM 1270 CB VAL A 85 10.382 -2.975 -8.674 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.619 -1.729 -9.086 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.138 -2.740 -7.375 1.00 0.00 C ATOM 0 H VAL A 85 8.773 -3.649 -10.475 1.00 0.00 H new ATOM 0 HA VAL A 85 10.040 -5.074 -8.350 1.00 0.00 H new ATOM 0 HB VAL A 85 11.114 -3.198 -9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.308 -0.888 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.146 -1.895 -10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.854 -1.508 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.795 -1.878 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.428 -2.552 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.733 -3.621 -7.136 1.00 0.00 H new ATOM 1282 N PHE A 86 7.256 -3.509 -7.726 1.00 0.00 N ATOM 1283 CA PHE A 86 6.210 -3.323 -6.732 1.00 0.00 C ATOM 1284 C PHE A 86 5.680 -4.679 -6.260 1.00 0.00 C ATOM 1285 O PHE A 86 5.400 -4.865 -5.079 1.00 0.00 O ATOM 1286 CB PHE A 86 5.086 -2.453 -7.311 1.00 0.00 C ATOM 1287 CG PHE A 86 3.952 -2.181 -6.363 1.00 0.00 C ATOM 1288 CD1 PHE A 86 4.074 -1.210 -5.383 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.763 -2.884 -6.457 1.00 0.00 C ATOM 1290 CE1 PHE A 86 3.033 -0.947 -4.514 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.718 -2.623 -5.591 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.854 -1.654 -4.618 1.00 0.00 C ATOM 0 H PHE A 86 6.992 -3.230 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 86 6.624 -2.808 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.510 -1.501 -7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.689 -2.941 -8.201 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.994 -0.652 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.651 -3.645 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.143 -0.188 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.795 -3.177 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.039 -1.450 -3.940 1.00 0.00 H new ATOM 1302 N LEU A 87 5.567 -5.629 -7.185 1.00 0.00 N ATOM 1303 CA LEU A 87 5.174 -6.991 -6.842 1.00 0.00 C ATOM 1304 C LEU A 87 6.234 -7.634 -5.954 1.00 0.00 C ATOM 1305 O LEU A 87 5.911 -8.267 -4.951 1.00 0.00 O ATOM 1306 CB LEU A 87 4.953 -7.837 -8.107 1.00 0.00 C ATOM 1307 CG LEU A 87 3.666 -7.535 -8.889 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.690 -8.204 -10.256 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.445 -7.992 -8.107 1.00 0.00 C ATOM 0 H LEU A 87 5.742 -5.479 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 87 4.232 -6.947 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.804 -7.693 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.946 -8.889 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 87 3.608 -6.456 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.768 -7.975 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.541 -7.834 -10.827 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.778 -9.283 -10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.543 -7.769 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.507 -9.066 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.408 -7.469 -7.151 1.00 0.00 H new ATOM 1321 N LYS A 88 7.501 -7.435 -6.313 1.00 0.00 N ATOM 1322 CA LYS A 88 8.621 -7.975 -5.541 1.00 0.00 C ATOM 1323 C LYS A 88 8.689 -7.371 -4.141 1.00 0.00 C ATOM 1324 O LYS A 88 9.179 -8.009 -3.209 1.00 0.00 O ATOM 1325 CB LYS A 88 9.948 -7.724 -6.262 1.00 0.00 C ATOM 1326 CG LYS A 88 10.245 -8.695 -7.391 1.00 0.00 C ATOM 1327 CD LYS A 88 10.449 -10.104 -6.860 1.00 0.00 C ATOM 1328 CE LYS A 88 11.138 -10.999 -7.878 1.00 0.00 C ATOM 1329 NZ LYS A 88 10.397 -11.063 -9.165 1.00 0.00 N ATOM 0 H LYS A 88 7.779 -6.902 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 88 8.452 -9.048 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.943 -6.711 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.758 -7.774 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.423 -8.688 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.137 -8.372 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.045 -10.066 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.484 -10.534 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.147 -10.629 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.236 -12.004 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.805 -11.809 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.396 -11.277 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.470 -10.148 -9.654 1.00 0.00 H new ATOM 1343 N ALA A 89 8.205 -6.139 -4.003 1.00 0.00 N ATOM 1344 CA ALA A 89 8.221 -5.449 -2.718 1.00 0.00 C ATOM 1345 C ALA A 89 7.495 -6.261 -1.657 1.00 0.00 C ATOM 1346 O ALA A 89 7.916 -6.319 -0.502 1.00 0.00 O ATOM 1347 CB ALA A 89 7.592 -4.069 -2.842 1.00 0.00 C ATOM 0 H ALA A 89 7.797 -5.599 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 89 9.261 -5.334 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.614 -3.571 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.152 -3.478 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.559 -4.169 -3.176 1.00 0.00 H new ATOM 1353 N GLY A 90 6.416 -6.907 -2.062 1.00 0.00 N ATOM 1354 CA GLY A 90 5.636 -7.688 -1.132 1.00 0.00 C ATOM 1355 C GLY A 90 5.816 -9.168 -1.343 1.00 0.00 C ATOM 1356 O GLY A 90 6.150 -9.897 -0.411 1.00 0.00 O ATOM 0 H GLY A 90 6.066 -6.904 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.924 -7.430 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.582 -7.433 -1.240 1.00 0.00 H new ATOM 1360 N ASP A 91 5.608 -9.611 -2.571 1.00 0.00 N ATOM 1361 CA ASP A 91 5.711 -11.022 -2.896 1.00 0.00 C ATOM 1362 C ASP A 91 7.171 -11.420 -3.025 1.00 0.00 C ATOM 1363 O ASP A 91 7.869 -10.974 -3.937 1.00 0.00 O ATOM 1364 CB ASP A 91 4.967 -11.339 -4.186 1.00 0.00 C ATOM 1365 CG ASP A 91 4.853 -12.827 -4.406 1.00 0.00 C ATOM 1366 OD1 ASP A 91 3.946 -13.452 -3.812 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.671 -13.395 -5.149 1.00 0.00 O ATOM 0 H ASP A 91 5.366 -9.012 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 91 5.253 -11.594 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.971 -10.898 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.487 -10.884 -5.029 1.00 0.00 H new ATOM 1372 N SER A 92 7.629 -12.265 -2.119 1.00 0.00 N ATOM 1373 CA SER A 92 9.040 -12.587 -2.043 1.00 0.00 C ATOM 1374 C SER A 92 9.362 -13.720 -2.996 1.00 0.00 C ATOM 1375 O SER A 92 10.527 -13.982 -3.305 1.00 0.00 O ATOM 1376 CB SER A 92 9.427 -12.963 -0.611 1.00 0.00 C ATOM 1377 OG SER A 92 10.836 -13.050 -0.462 1.00 0.00 O ATOM 0 H SER A 92 7.046 -12.738 -1.429 1.00 0.00 H new ATOM 0 HA SER A 92 9.618 -11.709 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.031 -12.220 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.972 -13.918 -0.348 1.00 0.00 H new ATOM 0 HG SER A 92 11.244 -13.265 -1.327 1.00 0.00 H new ATOM 1383 N ASP A 93 8.322 -14.389 -3.476 1.00 0.00 N ATOM 1384 CA ASP A 93 8.518 -15.477 -4.432 1.00 0.00 C ATOM 1385 C ASP A 93 8.762 -14.900 -5.813 1.00 0.00 C ATOM 1386 O ASP A 93 9.431 -15.504 -6.651 1.00 0.00 O ATOM 1387 CB ASP A 93 7.304 -16.414 -4.525 1.00 0.00 C ATOM 1388 CG ASP A 93 6.463 -16.472 -3.270 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.878 -17.116 -2.286 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.358 -15.891 -3.278 1.00 0.00 O ATOM 0 H ASP A 93 7.350 -14.205 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 93 9.372 -16.053 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.675 -16.092 -5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.653 -17.419 -4.761 1.00 0.00 H new ATOM 1395 N GLY A 94 8.219 -13.708 -6.034 1.00 0.00 N ATOM 1396 CA GLY A 94 8.272 -13.096 -7.340 1.00 0.00 C ATOM 1397 C GLY A 94 7.418 -13.856 -8.326 1.00 0.00 C ATOM 1398 O GLY A 94 7.709 -13.885 -9.520 1.00 0.00 O ATOM 0 H GLY A 94 7.741 -13.154 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.929 -12.063 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.303 -13.068 -7.692 1.00 0.00 H new ATOM 1402 N ASP A 95 6.350 -14.461 -7.817 1.00 0.00 N ATOM 1403 CA ASP A 95 5.527 -15.364 -8.613 1.00 0.00 C ATOM 1404 C ASP A 95 4.555 -14.598 -9.508 1.00 0.00 C ATOM 1405 O ASP A 95 3.893 -15.186 -10.365 1.00 0.00 O ATOM 1406 CB ASP A 95 4.769 -16.351 -7.709 1.00 0.00 C ATOM 1407 CG ASP A 95 3.753 -15.685 -6.801 1.00 0.00 C ATOM 1408 OD1 ASP A 95 2.714 -15.235 -7.312 1.00 0.00 O ATOM 1409 OD2 ASP A 95 3.975 -15.638 -5.564 1.00 0.00 O ATOM 0 H ASP A 95 6.034 -14.342 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 95 6.195 -15.931 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.260 -17.085 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.488 -16.896 -7.098 1.00 0.00 H new ATOM 1414 N GLY A 96 4.473 -13.288 -9.313 1.00 0.00 N ATOM 1415 CA GLY A 96 3.658 -12.462 -10.186 1.00 0.00 C ATOM 1416 C GLY A 96 2.341 -12.053 -9.561 1.00 0.00 C ATOM 1417 O GLY A 96 1.612 -11.227 -10.112 1.00 0.00 O ATOM 0 H GLY A 96 4.954 -12.783 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.218 -11.567 -10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.461 -13.005 -11.110 1.00 0.00 H new ATOM 1421 N LYS A 97 2.025 -12.638 -8.419 1.00 0.00 N ATOM 1422 CA LYS A 97 0.823 -12.275 -7.690 1.00 0.00 C ATOM 1423 C LYS A 97 1.207 -11.710 -6.339 1.00 0.00 C ATOM 1424 O LYS A 97 2.313 -11.937 -5.857 1.00 0.00 O ATOM 1425 CB LYS A 97 -0.099 -13.493 -7.517 1.00 0.00 C ATOM 1426 CG LYS A 97 0.147 -14.294 -6.242 1.00 0.00 C ATOM 1427 CD LYS A 97 -0.784 -15.495 -6.143 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.611 -16.449 -7.316 1.00 0.00 C ATOM 1429 NZ LYS A 97 0.767 -17.002 -7.388 1.00 0.00 N ATOM 0 H LYS A 97 2.585 -13.367 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 97 0.279 -11.520 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.135 -13.153 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.026 -14.153 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.183 -14.633 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.004 -13.650 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.591 -16.027 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.817 -15.150 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.325 -17.267 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.841 -15.927 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.813 -17.722 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.438 -16.236 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.015 -17.435 -6.476 1.00 0.00 H new ATOM 1443 N ILE A 98 0.305 -10.966 -5.734 1.00 0.00 N ATOM 1444 CA ILE A 98 0.547 -10.447 -4.409 1.00 0.00 C ATOM 1445 C ILE A 98 -0.193 -11.279 -3.384 1.00 0.00 C ATOM 1446 O ILE A 98 -1.423 -11.282 -3.343 1.00 0.00 O ATOM 1447 CB ILE A 98 0.129 -8.962 -4.281 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.140 -8.053 -4.975 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.028 -8.555 -2.827 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.524 -8.100 -4.358 1.00 0.00 C ATOM 0 H ILE A 98 -0.596 -10.710 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 98 1.620 -10.505 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.838 -8.850 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.210 -8.337 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.773 -7.027 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.322 -7.507 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.794 -9.172 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.919 -8.694 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.188 -7.429 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.468 -7.787 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.912 -9.117 -4.411 1.00 0.00 H new ATOM 1462 N GLY A 99 0.549 -12.027 -2.589 1.00 0.00 N ATOM 1463 CA GLY A 99 -0.048 -12.618 -1.423 1.00 0.00 C ATOM 1464 C GLY A 99 -0.550 -11.517 -0.524 1.00 0.00 C ATOM 1465 O GLY A 99 0.128 -10.504 -0.370 1.00 0.00 O ATOM 0 H GLY A 99 1.538 -12.232 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.869 -13.274 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.682 -13.233 -0.896 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.730 -11.673 0.045 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.324 -10.612 0.810 1.00 0.00 C ATOM 1471 C VAL A 100 -1.400 -10.129 1.919 1.00 0.00 C ATOM 1472 O VAL A 100 -1.186 -8.932 2.084 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.676 -11.042 1.381 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.735 -10.990 0.288 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -3.614 -12.434 1.997 1.00 0.00 C ATOM 0 H VAL A 100 -2.289 -12.524 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.487 -9.775 0.131 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.942 -10.348 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.697 -11.297 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.812 -9.973 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.455 -11.663 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.594 -12.702 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.320 -13.156 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.884 -12.442 2.806 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.797 -11.060 2.631 1.00 0.00 N ATOM 1486 CA ASP A 101 0.094 -10.706 3.719 1.00 0.00 C ATOM 1487 C ASP A 101 1.468 -10.301 3.184 1.00 0.00 C ATOM 1488 O ASP A 101 2.246 -9.645 3.880 1.00 0.00 O ATOM 1489 CB ASP A 101 0.189 -11.861 4.710 1.00 0.00 C ATOM 1490 CG ASP A 101 0.865 -13.087 4.138 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.164 -13.921 3.524 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.095 -13.230 4.306 1.00 0.00 O ATOM 0 H ASP A 101 -0.906 -12.062 2.477 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.312 -9.843 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.738 -11.530 5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.814 -12.129 5.042 1.00 0.00 H new ATOM 1497 N GLU A 102 1.747 -10.673 1.935 1.00 0.00 N ATOM 1498 CA GLU A 102 2.933 -10.184 1.238 1.00 0.00 C ATOM 1499 C GLU A 102 2.821 -8.672 1.079 1.00 0.00 C ATOM 1500 O GLU A 102 3.775 -7.929 1.317 1.00 0.00 O ATOM 1501 CB GLU A 102 3.066 -10.827 -0.152 1.00 0.00 C ATOM 1502 CG GLU A 102 3.219 -12.343 -0.145 1.00 0.00 C ATOM 1503 CD GLU A 102 4.565 -12.800 0.377 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.757 -12.818 1.610 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.431 -13.169 -0.444 1.00 0.00 O ATOM 0 H GLU A 102 1.168 -11.310 1.387 1.00 0.00 H new ATOM 0 HA GLU A 102 3.814 -10.447 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.187 -10.568 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.928 -10.392 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.431 -12.779 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.081 -12.721 -1.158 1.00 0.00 H new ATOM 1512 N PHE A 103 1.627 -8.230 0.693 1.00 0.00 N ATOM 1513 CA PHE A 103 1.354 -6.817 0.476 1.00 0.00 C ATOM 1514 C PHE A 103 1.514 -6.039 1.771 1.00 0.00 C ATOM 1515 O PHE A 103 2.189 -5.011 1.809 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.061 -6.627 -0.069 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.283 -5.289 -0.710 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.255 -5.013 -1.956 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.028 -4.310 -0.076 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.056 -3.787 -2.556 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.230 -3.080 -0.675 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.687 -2.820 -1.917 1.00 0.00 C ATOM 0 H PHE A 103 0.827 -8.840 0.523 1.00 0.00 H new ATOM 0 HA PHE A 103 2.070 -6.439 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.268 -7.409 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.775 -6.754 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.838 -5.767 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.456 -4.508 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.483 -3.586 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.813 -2.323 -0.171 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.845 -1.860 -2.386 1.00 0.00 H new ATOM 1532 N GLY A 104 0.907 -6.551 2.836 1.00 0.00 N ATOM 1533 CA GLY A 104 1.007 -5.907 4.131 1.00 0.00 C ATOM 1534 C GLY A 104 2.447 -5.716 4.568 1.00 0.00 C ATOM 1535 O GLY A 104 2.788 -4.717 5.208 1.00 0.00 O ATOM 0 H GLY A 104 0.346 -7.403 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.510 -4.938 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.480 -6.506 4.874 1.00 0.00 H new ATOM 1539 N ALA A 105 3.297 -6.665 4.201 1.00 0.00 N ATOM 1540 CA ALA A 105 4.706 -6.601 4.548 1.00 0.00 C ATOM 1541 C ALA A 105 5.435 -5.525 3.746 1.00 0.00 C ATOM 1542 O ALA A 105 6.390 -4.931 4.238 1.00 0.00 O ATOM 1543 CB ALA A 105 5.363 -7.957 4.341 1.00 0.00 C ATOM 0 H ALA A 105 3.033 -7.489 3.662 1.00 0.00 H new ATOM 0 HA ALA A 105 4.777 -6.331 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.419 -7.894 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.874 -8.698 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.267 -8.252 3.296 1.00 0.00 H new ATOM 1549 N MET A 106 4.985 -5.260 2.519 1.00 0.00 N ATOM 1550 CA MET A 106 5.639 -4.251 1.682 1.00 0.00 C ATOM 1551 C MET A 106 5.240 -2.851 2.127 1.00 0.00 C ATOM 1552 O MET A 106 5.950 -1.883 1.875 1.00 0.00 O ATOM 1553 CB MET A 106 5.294 -4.419 0.193 1.00 0.00 C ATOM 1554 CG MET A 106 4.003 -3.728 -0.226 1.00 0.00 C ATOM 1555 SD MET A 106 3.868 -3.486 -2.009 1.00 0.00 S ATOM 1556 CE MET A 106 3.639 -5.166 -2.578 1.00 0.00 C ATOM 0 H MET A 106 4.184 -5.721 2.087 1.00 0.00 H new ATOM 0 HA MET A 106 6.713 -4.391 1.803 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.115 -4.026 -0.406 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.215 -5.482 -0.033 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.155 -4.319 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.940 -2.760 0.271 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.873 -5.186 -3.353 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.577 -5.543 -2.985 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.327 -5.794 -1.743 1.00 0.00 H new ATOM 1566 N ILE A 107 4.092 -2.754 2.782 1.00 0.00 N ATOM 1567 CA ILE A 107 3.572 -1.473 3.227 1.00 0.00 C ATOM 1568 C ILE A 107 4.268 -1.052 4.507 1.00 0.00 C ATOM 1569 O ILE A 107 4.566 0.122 4.725 1.00 0.00 O ATOM 1570 CB ILE A 107 2.057 -1.554 3.485 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.329 -2.056 2.242 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.517 -0.198 3.904 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.142 -2.304 2.470 1.00 0.00 C ATOM 0 H ILE A 107 3.502 -3.552 3.017 1.00 0.00 H new ATOM 0 HA ILE A 107 3.759 -0.741 2.441 1.00 0.00 H new ATOM 0 HB ILE A 107 1.883 -2.261 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.447 -1.326 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.798 -2.980 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.444 -0.273 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.015 0.125 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.703 0.528 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.599 -2.659 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.268 -3.056 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.624 -1.376 2.780 1.00 0.00 H new ATOM 1585 N LYS A 108 4.529 -2.038 5.341 1.00 0.00 N ATOM 1586 CA LYS A 108 5.165 -1.811 6.625 1.00 0.00 C ATOM 1587 C LYS A 108 6.689 -1.770 6.471 1.00 0.00 C ATOM 1588 O LYS A 108 7.406 -1.322 7.369 1.00 0.00 O ATOM 1589 CB LYS A 108 4.688 -2.895 7.605 1.00 0.00 C ATOM 1590 CG LYS A 108 5.437 -2.963 8.932 1.00 0.00 C ATOM 1591 CD LYS A 108 6.567 -3.987 8.900 1.00 0.00 C ATOM 1592 CE LYS A 108 6.045 -5.404 8.693 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.134 -6.415 8.764 1.00 0.00 N ATOM 0 H LYS A 108 4.308 -3.015 5.150 1.00 0.00 H new ATOM 0 HA LYS A 108 4.879 -0.840 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.631 -2.730 7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.769 -3.864 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.845 -1.980 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.739 -3.218 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.262 -3.736 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.127 -3.939 9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.293 -5.627 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.551 -5.470 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.736 -7.365 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.839 -6.218 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.589 -6.370 9.698 1.00 0.00 H new ATOM 1607 N ALA A 109 7.164 -2.198 5.307 1.00 0.00 N ATOM 1608 CA ALA A 109 8.586 -2.187 4.995 1.00 0.00 C ATOM 1609 C ALA A 109 9.103 -0.761 4.863 1.00 0.00 C ATOM 1610 O ALA A 109 10.175 -0.458 5.426 1.00 0.00 O ATOM 1611 CB ALA A 109 8.852 -2.962 3.715 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.425 0.059 4.211 1.00 0.00 O ATOM 0 H ALA A 109 6.576 -2.561 4.557 1.00 0.00 H new ATOM 0 HA ALA A 109 9.117 -2.669 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.919 -2.945 3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.524 -3.994 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.304 -2.504 2.892 1.00 0.00 H new