USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 13 ASN : amide:sc= -0.05 K(o=-0.11,f=-1.5!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0573 K(o=-0.11,f=-2.8!) USER MOD Set 2.1: A 14 THR OG1 : rot -152:sc= 0.596 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0.571 USER MOD Set 3.1: A 37 SER OG : rot -12:sc= 1.14 USER MOD Set 3.2: A 38 GLN : amide:sc= -3.03! C(o=-1.9!,f=-19!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -95:sc= 0.218 USER MOD Single : A 11 ASN : amide:sc= -0.409 K(o=-0.41,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0.00282 X(o=0.0028,f=-0.26) USER MOD Single : A 15 MET CE :methyl -167:sc= -0.774 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -29:sc= 0.0374 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 87:sc= 1.01 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.419 K(o=0.42,f=-4.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.195 K(o=-0.19,f=-0.83) USER MOD Single : A 58 MET CE :methyl -167:sc= -0.0107 (180deg=-0.217) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0.963 (180deg=0.938) USER MOD Single : A 70 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.731 3.449 4.461 1.00 50.00 N ATOM 21 CA LYS A 2 -10.362 4.809 4.834 1.00 50.00 C ATOM 22 C LYS A 2 -9.139 4.817 5.744 1.00 50.00 C ATOM 23 O LYS A 2 -9.059 4.047 6.700 1.00 50.00 O ATOM 24 CB LYS A 2 -11.533 5.513 5.521 1.00 50.00 C ATOM 25 CG LYS A 2 -11.242 6.947 5.946 1.00 50.00 C ATOM 26 CD LYS A 2 -12.468 7.597 6.571 1.00 50.00 C ATOM 27 CE LYS A 2 -12.135 8.964 7.150 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.347 9.668 7.648 1.00 75.00 N ATOM 0 HA LYS A 2 -10.112 5.349 3.921 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.388 5.513 4.845 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.822 4.938 6.400 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.418 6.957 6.660 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.921 7.527 5.081 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.251 7.699 5.820 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.863 6.953 7.357 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.422 8.848 7.966 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.650 9.573 6.387 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.076 10.595 8.034 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.017 9.802 6.864 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.796 9.100 8.394 1.00 75.00 H new ATOM 42 N ILE A 3 -8.188 5.694 5.439 1.00 50.00 N ATOM 43 CA ILE A 3 -6.951 5.780 6.207 1.00 50.00 C ATOM 44 C ILE A 3 -7.177 6.496 7.534 1.00 50.00 C ATOM 45 O ILE A 3 -7.807 7.551 7.581 1.00 50.00 O ATOM 46 CB ILE A 3 -5.849 6.511 5.421 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.453 5.706 4.180 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.637 6.757 6.308 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.490 6.427 3.265 1.00 50.00 C ATOM 0 H ILE A 3 -8.250 6.355 4.665 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.628 4.757 6.400 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.238 7.476 5.095 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -5.003 4.766 4.497 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.353 5.455 3.619 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.867 7.275 5.736 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.929 7.369 7.161 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.246 5.803 6.662 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.257 5.793 2.409 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.944 7.354 2.916 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.573 6.654 3.808 1.00 50.00 H new ATOM 61 N ILE A 4 -6.656 5.913 8.608 1.00 10.00 N ATOM 62 CA ILE A 4 -6.566 6.609 9.886 1.00 10.00 C ATOM 63 C ILE A 4 -5.216 7.293 10.050 1.00 10.00 C ATOM 64 O ILE A 4 -5.143 8.469 10.405 1.00 50.00 O ATOM 65 CB ILE A 4 -6.790 5.647 11.069 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.210 5.075 11.030 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.536 6.358 12.389 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.434 3.931 11.993 1.00 50.00 C ATOM 0 H ILE A 4 -6.290 4.961 8.619 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.353 7.364 9.887 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.083 4.822 10.983 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.919 5.872 11.256 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.426 4.733 10.018 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.699 5.664 13.213 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.508 6.719 12.416 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.219 7.202 12.485 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.462 3.579 11.907 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.751 3.116 11.755 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.251 4.272 13.012 1.00 50.00 H new ATOM 80 N SER A 5 -4.146 6.549 9.787 1.00 10.00 N ATOM 81 CA SER A 5 -2.799 7.107 9.814 1.00 10.00 C ATOM 82 C SER A 5 -1.804 6.177 9.133 1.00 10.00 C ATOM 83 O SER A 5 -2.023 4.968 9.050 1.00 50.00 O ATOM 84 CB SER A 5 -2.376 7.376 11.245 1.00 50.00 C ATOM 85 OG SER A 5 -2.212 6.192 11.978 1.00 50.00 O ATOM 0 H SER A 5 -4.186 5.557 9.553 1.00 10.00 H new ATOM 0 HA SER A 5 -2.809 8.047 9.263 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.441 7.936 11.247 1.00 50.00 H new ATOM 0 HB3 SER A 5 -3.123 8.003 11.732 1.00 50.00 H new ATOM 0 HG SER A 5 -1.938 6.409 12.893 1.00 50.00 H new ATOM 91 N ILE A 6 -0.708 6.747 8.643 1.00 10.00 N ATOM 92 CA ILE A 6 0.356 5.962 8.029 1.00 10.00 C ATOM 93 C ILE A 6 1.652 6.076 8.821 1.00 10.00 C ATOM 94 O ILE A 6 2.191 7.168 8.996 1.00 50.00 O ATOM 95 CB ILE A 6 0.613 6.400 6.575 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.655 6.232 5.735 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.763 5.605 5.977 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.526 6.758 4.323 1.00 50.00 C ATOM 0 H ILE A 6 -0.534 7.752 8.659 1.00 10.00 H new ATOM 0 HA ILE A 6 0.023 4.924 8.032 1.00 10.00 H new ATOM 0 HB ILE A 6 0.888 7.455 6.573 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.917 5.175 5.696 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.479 6.746 6.230 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.932 5.926 4.949 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.666 5.774 6.563 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.516 4.543 5.989 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.464 6.604 3.790 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.296 7.823 4.351 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.275 6.227 3.809 1.00 50.00 H new ATOM 110 N SER A 7 2.149 4.939 9.298 1.00 10.00 N ATOM 111 CA SER A 7 3.333 4.918 10.148 1.00 10.00 C ATOM 112 C SER A 7 4.492 4.209 9.458 1.00 10.00 C ATOM 113 O SER A 7 4.315 3.576 8.417 1.00 50.00 O ATOM 114 CB SER A 7 3.015 4.248 11.470 1.00 50.00 C ATOM 115 OG SER A 7 2.734 2.885 11.315 1.00 50.00 O ATOM 0 H SER A 7 1.749 4.020 9.110 1.00 10.00 H new ATOM 0 HA SER A 7 3.635 5.948 10.337 1.00 10.00 H new ATOM 0 HB2 SER A 7 3.859 4.369 12.149 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.161 4.744 11.931 1.00 50.00 H new ATOM 0 HG SER A 7 2.536 2.490 12.190 1.00 50.00 H new ATOM 121 N GLU A 8 5.678 4.317 10.046 1.00 10.00 N ATOM 122 CA GLU A 8 6.862 3.657 9.507 1.00 50.00 C ATOM 123 C GLU A 8 7.025 2.258 10.088 1.00 10.00 C ATOM 124 O GLU A 8 6.338 1.887 11.040 1.00 50.00 O ATOM 125 CB GLU A 8 8.114 4.491 9.788 1.00 50.00 C ATOM 126 CG GLU A 8 8.138 5.844 9.090 1.00 50.00 C ATOM 127 CD GLU A 8 9.383 6.614 9.432 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.122 6.166 10.276 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.653 7.591 8.775 1.00 50.00 O ATOM 0 H GLU A 8 5.846 4.855 10.896 1.00 10.00 H new ATOM 0 HA GLU A 8 6.731 3.566 8.429 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.197 4.649 10.863 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.991 3.922 9.481 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.082 5.700 8.011 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.260 6.421 9.380 1.00 50.00 H new ATOM 136 N THR A 9 7.937 1.485 9.509 1.00 50.00 N ATOM 137 CA THR A 9 8.190 0.125 9.966 1.00 10.00 C ATOM 138 C THR A 9 9.683 -0.134 10.128 1.00 10.00 C ATOM 139 O THR A 9 10.512 0.637 9.642 1.00 50.00 O ATOM 140 CB THR A 9 7.602 -0.916 8.995 1.00 50.00 C ATOM 141 OG1 THR A 9 8.371 -0.934 7.786 1.00 50.00 O ATOM 142 CG2 THR A 9 6.156 -0.581 8.667 1.00 50.00 C ATOM 0 H THR A 9 8.514 1.778 8.721 1.00 50.00 H new ATOM 0 HA THR A 9 7.700 0.024 10.934 1.00 10.00 H new ATOM 0 HB THR A 9 7.638 -1.896 9.471 1.00 50.00 H new ATOM 0 HG1 THR A 9 7.950 -0.349 7.122 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.757 -1.327 7.980 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.566 -0.579 9.584 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.107 0.404 8.202 1.00 50.00 H new ATOM 150 N PRO A 10 10.020 -1.221 10.813 1.00 50.00 N ATOM 151 CA PRO A 10 11.413 -1.593 11.022 1.00 50.00 C ATOM 152 C PRO A 10 12.165 -1.678 9.700 1.00 50.00 C ATOM 153 O PRO A 10 13.366 -1.412 9.638 1.00 50.00 O ATOM 154 CB PRO A 10 11.336 -2.950 11.730 1.00 50.00 C ATOM 155 CG PRO A 10 10.019 -2.930 12.428 1.00 50.00 C ATOM 156 CD PRO A 10 9.095 -2.167 11.517 1.00 50.00 C ATOM 0 HA PRO A 10 11.962 -0.858 11.611 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.396 -3.773 11.018 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.157 -3.078 12.435 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.652 -3.941 12.603 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.098 -2.447 13.402 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.583 -2.827 10.817 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.324 -1.637 12.076 1.00 50.00 H new ATOM 164 N ASN A 11 11.452 -2.052 8.643 1.00 50.00 N ATOM 165 CA ASN A 11 12.008 -2.025 7.295 1.00 50.00 C ATOM 166 C ASN A 11 11.505 -0.815 6.516 1.00 50.00 C ATOM 167 O ASN A 11 10.332 -0.742 6.153 1.00 50.00 O ATOM 168 CB ASN A 11 11.693 -3.303 6.539 1.00 50.00 C ATOM 169 CG ASN A 11 12.320 -3.369 5.174 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.760 -2.355 4.621 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.291 -4.543 4.597 1.00 50.00 N ATOM 0 H ASN A 11 10.487 -2.378 8.694 1.00 50.00 H new ATOM 0 HA ASN A 11 13.091 -1.946 7.395 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.033 -4.155 7.127 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.612 -3.397 6.437 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.642 -4.653 3.646 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.917 -5.349 5.098 1.00 50.00 H new ATOM 178 N HIS A 12 12.402 0.131 6.263 1.00 50.00 N ATOM 179 CA HIS A 12 12.012 1.437 5.747 1.00 50.00 C ATOM 180 C HIS A 12 11.515 1.335 4.310 1.00 50.00 C ATOM 181 O HIS A 12 10.942 2.283 3.773 1.00 50.00 O ATOM 182 CB HIS A 12 13.181 2.424 5.829 1.00 50.00 C ATOM 183 CG HIS A 12 14.283 2.131 4.859 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.233 1.155 5.084 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.589 2.685 3.663 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.074 1.123 4.065 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.706 2.041 3.189 1.00 75.00 N ATOM 0 H HIS A 12 13.405 0.017 6.407 1.00 50.00 H new ATOM 0 HA HIS A 12 11.196 1.807 6.367 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.808 3.432 5.648 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.586 2.411 6.841 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.054 3.485 3.172 1.00 50.00 H new ATOM 0 HE1 HIS A 12 16.919 0.458 3.965 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.175 2.239 2.305 1.00 75.00 H new ATOM 195 N ASN A 13 11.741 0.181 3.692 1.00 10.00 N ATOM 196 CA ASN A 13 11.352 -0.033 2.303 1.00 10.00 C ATOM 197 C ASN A 13 9.847 -0.237 2.178 1.00 10.00 C ATOM 198 O ASN A 13 9.298 -0.221 1.076 1.00 50.00 O ATOM 199 CB ASN A 13 12.092 -1.209 1.695 1.00 50.00 C ATOM 200 CG ASN A 13 13.533 -0.919 1.382 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.964 0.239 1.354 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.263 -1.959 1.065 1.00 50.00 N ATOM 0 H ASN A 13 12.192 -0.621 4.132 1.00 10.00 H new ATOM 0 HA ASN A 13 11.626 0.865 1.750 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.041 -2.053 2.382 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.584 -1.512 0.779 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.234 -1.833 0.779 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.861 -2.895 1.104 1.00 50.00 H new ATOM 209 N THR A 14 9.184 -0.427 3.315 1.00 10.00 N ATOM 210 CA THR A 14 7.736 -0.592 3.337 1.00 10.00 C ATOM 211 C THR A 14 7.100 0.279 4.413 1.00 10.00 C ATOM 212 O THR A 14 7.688 0.505 5.471 1.00 50.00 O ATOM 213 CB THR A 14 7.338 -2.059 3.579 1.00 50.00 C ATOM 214 OG1 THR A 14 5.910 -2.176 3.580 1.00 50.00 O ATOM 215 CG2 THR A 14 7.883 -2.547 4.913 1.00 50.00 C ATOM 0 H THR A 14 9.627 -0.470 4.233 1.00 10.00 H new ATOM 0 HA THR A 14 7.370 -0.283 2.358 1.00 10.00 H new ATOM 0 HB THR A 14 7.759 -2.670 2.780 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.644 -2.934 4.142 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.592 -3.586 5.067 1.00 50.00 H new ATOM 0 HG22 THR A 14 8.970 -2.471 4.911 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.478 -1.934 5.718 1.00 50.00 H new ATOM 223 N MET A 15 5.895 0.765 4.136 1.00 10.00 N ATOM 224 CA MET A 15 5.168 1.598 5.087 1.00 10.00 C ATOM 225 C MET A 15 3.919 0.890 5.597 1.00 10.00 C ATOM 226 O MET A 15 3.363 0.025 4.919 1.00 50.00 O ATOM 227 CB MET A 15 4.793 2.931 4.442 1.00 50.00 C ATOM 228 CG MET A 15 5.980 3.821 4.101 1.00 50.00 C ATOM 229 SD MET A 15 6.798 4.482 5.567 1.00 50.00 S ATOM 230 CE MET A 15 5.540 5.599 6.181 1.00 50.00 C ATOM 0 H MET A 15 5.401 0.596 3.260 1.00 10.00 H new ATOM 0 HA MET A 15 5.821 1.786 5.939 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.229 2.734 3.530 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.130 3.473 5.116 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.700 3.250 3.514 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.642 4.647 3.475 1.00 50.00 H new ATOM 0 HE1 MET A 15 5.971 6.250 6.941 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.158 6.204 5.359 1.00 50.00 H new ATOM 0 HE3 MET A 15 4.724 5.023 6.618 1.00 50.00 H new ATOM 240 N LYS A 16 3.482 1.263 6.795 1.00 10.00 N ATOM 241 CA LYS A 16 2.310 0.650 7.407 1.00 10.00 C ATOM 242 C LYS A 16 1.115 1.594 7.372 1.00 10.00 C ATOM 243 O LYS A 16 1.162 2.691 7.928 1.00 50.00 O ATOM 244 CB LYS A 16 2.611 0.237 8.849 1.00 50.00 C ATOM 245 CG LYS A 16 1.448 -0.432 9.568 1.00 50.00 C ATOM 246 CD LYS A 16 1.799 -0.746 11.016 1.00 50.00 C ATOM 247 CE LYS A 16 0.632 -1.400 11.739 1.00 50.00 C ATOM 248 NZ LYS A 16 0.959 -1.708 13.157 1.00 50.00 N ATOM 0 H LYS A 16 3.923 1.988 7.362 1.00 10.00 H new ATOM 0 HA LYS A 16 2.060 -0.240 6.830 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.462 -0.444 8.849 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.910 1.121 9.412 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.575 0.220 9.536 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.178 -1.352 9.049 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.665 -1.407 11.047 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.080 0.172 11.531 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.234 -0.739 11.702 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.354 -2.319 11.223 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 0.137 -2.153 13.614 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.769 -2.359 13.193 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 1.199 -0.828 13.657 1.00 50.00 H new ATOM 262 N ILE A 17 0.043 1.160 6.718 1.00 10.00 N ATOM 263 CA ILE A 17 -1.160 1.974 6.591 1.00 10.00 C ATOM 264 C ILE A 17 -2.279 1.443 7.476 1.00 10.00 C ATOM 265 O ILE A 17 -2.810 0.358 7.239 1.00 50.00 O ATOM 266 CB ILE A 17 -1.653 2.031 5.133 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.555 2.580 4.219 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.911 2.880 5.030 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.866 2.451 2.746 1.00 50.00 C ATOM 0 H ILE A 17 -0.017 0.247 6.267 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.894 2.981 6.913 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.895 1.019 4.809 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.391 3.631 4.455 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.377 2.056 4.431 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.246 2.910 3.993 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.694 2.447 5.652 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.695 3.893 5.371 1.00 50.00 H new ATOM 0 HD11 ILE A 17 -0.042 2.862 2.163 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -1.001 1.399 2.493 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.780 2.999 2.518 1.00 50.00 H new ATOM 281 N THR A 18 -2.636 2.214 8.498 1.00 10.00 N ATOM 282 CA THR A 18 -3.716 1.838 9.401 1.00 10.00 C ATOM 283 C THR A 18 -5.066 2.304 8.869 1.00 10.00 C ATOM 284 O THR A 18 -5.260 3.488 8.591 1.00 50.00 O ATOM 285 CB THR A 18 -3.504 2.422 10.811 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.290 1.899 11.369 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.670 2.061 11.719 1.00 50.00 C ATOM 0 H THR A 18 -2.192 3.105 8.721 1.00 10.00 H new ATOM 0 HA THR A 18 -3.708 0.750 9.463 1.00 10.00 H new ATOM 0 HB THR A 18 -3.440 3.507 10.733 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.155 2.272 12.265 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.503 2.482 12.711 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.593 2.466 11.304 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.751 0.977 11.794 1.00 50.00 H new ATOM 295 N LEU A 19 -5.996 1.365 8.727 1.00 10.00 N ATOM 296 CA LEU A 19 -7.289 1.654 8.117 1.00 50.00 C ATOM 297 C LEU A 19 -8.417 1.526 9.133 1.00 10.00 C ATOM 298 O LEU A 19 -8.332 0.734 10.072 1.00 50.00 O ATOM 299 CB LEU A 19 -7.533 0.719 6.926 1.00 50.00 C ATOM 300 CG LEU A 19 -6.472 0.779 5.821 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.728 -0.313 4.792 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.494 2.153 5.167 1.00 50.00 C ATOM 0 H LEU A 19 -5.878 0.397 9.026 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.274 2.684 7.761 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.593 -0.305 7.295 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.503 0.958 6.490 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.486 0.614 6.255 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.969 -0.262 4.011 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.684 -1.288 5.278 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.714 -0.172 4.349 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.739 2.194 4.382 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.478 2.334 4.735 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.281 2.916 5.916 1.00 50.00 H new ATOM 314 N SER A 20 -9.472 2.309 8.939 1.00 10.00 N ATOM 315 CA SER A 20 -10.716 2.114 9.674 1.00 10.00 C ATOM 316 C SER A 20 -11.597 1.070 8.998 1.00 50.00 C ATOM 317 O SER A 20 -12.006 0.091 9.622 1.00 50.00 O ATOM 318 CB SER A 20 -11.460 3.429 9.801 1.00 50.00 C ATOM 319 OG SER A 20 -12.684 3.280 10.465 1.00 50.00 O ATOM 0 H SER A 20 -9.491 3.086 8.278 1.00 10.00 H new ATOM 0 HA SER A 20 -10.467 1.749 10.671 1.00 10.00 H new ATOM 0 HB2 SER A 20 -10.840 4.145 10.341 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.635 3.843 8.808 1.00 50.00 H new ATOM 0 HG SER A 20 -13.131 4.150 10.527 1.00 50.00 H new ATOM 414 N THR A 27 -8.961 -10.993 6.507 1.00 50.00 N ATOM 415 CA THR A 27 -7.933 -12.026 6.522 1.00 50.00 C ATOM 416 C THR A 27 -6.678 -11.566 5.793 1.00 50.00 C ATOM 417 O THR A 27 -6.708 -10.591 5.041 1.00 50.00 O ATOM 418 CB THR A 27 -8.437 -13.334 5.882 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.760 -13.100 4.505 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.671 -13.844 6.610 1.00 75.00 C ATOM 0 HA THR A 27 -7.692 -12.214 7.568 1.00 50.00 H new ATOM 0 HB THR A 27 -7.650 -14.085 5.956 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.039 -12.168 4.388 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.012 -14.768 6.144 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.425 -14.034 7.655 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.462 -13.096 6.554 1.00 75.00 H new ATOM 428 N SER A 28 -5.576 -12.274 6.017 1.00 10.00 N ATOM 429 CA SER A 28 -4.296 -11.908 5.422 1.00 10.00 C ATOM 430 C SER A 28 -4.241 -12.301 3.952 1.00 10.00 C ATOM 431 O SER A 28 -4.899 -13.249 3.528 1.00 50.00 O ATOM 432 CB SER A 28 -3.161 -12.559 6.187 1.00 50.00 C ATOM 433 OG SER A 28 -3.162 -13.953 6.047 1.00 50.00 O ATOM 0 H SER A 28 -5.544 -13.105 6.607 1.00 10.00 H new ATOM 0 HA SER A 28 -4.189 -10.825 5.483 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.210 -12.160 5.833 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.241 -12.301 7.243 1.00 50.00 H new ATOM 0 HG SER A 28 -2.414 -14.333 6.554 1.00 50.00 H new ATOM 439 N ASP A 29 -3.449 -11.566 3.178 1.00 10.00 N ATOM 440 CA ASP A 29 -3.273 -11.863 1.761 1.00 10.00 C ATOM 441 C ASP A 29 -2.097 -11.089 1.178 1.00 10.00 C ATOM 442 O ASP A 29 -1.663 -10.084 1.741 1.00 50.00 O ATOM 443 CB ASP A 29 -4.552 -11.541 0.983 1.00 50.00 C ATOM 444 CG ASP A 29 -4.722 -12.336 -0.303 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.809 -13.039 -0.669 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.811 -12.360 -0.822 1.00 50.00 O ATOM 0 H ASP A 29 -2.919 -10.760 3.509 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.060 -12.928 1.668 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.411 -11.727 1.627 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.558 -10.478 0.742 1.00 50.00 H new ATOM 451 N THR A 30 -1.585 -11.563 0.049 1.00 10.00 N ATOM 452 CA THR A 30 -0.476 -10.901 -0.627 1.00 10.00 C ATOM 453 C THR A 30 -0.807 -10.628 -2.089 1.00 10.00 C ATOM 454 O THR A 30 -1.249 -11.520 -2.813 1.00 50.00 O ATOM 455 CB THR A 30 0.813 -11.738 -0.552 1.00 50.00 C ATOM 456 OG1 THR A 30 1.161 -11.960 0.821 1.00 50.00 O ATOM 457 CG2 THR A 30 1.957 -11.021 -1.250 1.00 50.00 C ATOM 0 H THR A 30 -1.921 -12.405 -0.419 1.00 10.00 H new ATOM 0 HA THR A 30 -0.314 -9.955 -0.110 1.00 10.00 H new ATOM 0 HB THR A 30 0.638 -12.692 -1.050 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.981 -12.494 0.868 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.860 -11.628 -1.186 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.701 -10.860 -2.297 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.132 -10.059 -0.768 1.00 50.00 H new ATOM 465 N TYR A 31 -0.591 -9.389 -2.518 1.00 10.00 N ATOM 466 CA TYR A 31 -0.805 -9.012 -3.910 1.00 10.00 C ATOM 467 C TYR A 31 0.443 -8.372 -4.508 1.00 10.00 C ATOM 468 O TYR A 31 1.018 -7.451 -3.927 1.00 50.00 O ATOM 469 CB TYR A 31 -1.993 -8.054 -4.028 1.00 50.00 C ATOM 470 CG TYR A 31 -3.306 -8.646 -3.563 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.921 -9.660 -4.282 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.926 -8.187 -2.412 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.121 -10.204 -3.864 1.00 50.00 C ATOM 474 CE2 TYR A 31 -5.125 -8.725 -1.983 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.719 -9.733 -2.713 1.00 50.00 C ATOM 476 OH TYR A 31 -6.914 -10.272 -2.293 1.00 50.00 O ATOM 0 H TYR A 31 -0.267 -8.628 -1.921 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.023 -9.921 -4.471 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.783 -7.157 -3.445 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.094 -7.742 -5.068 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.455 -10.031 -5.183 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -3.465 -7.395 -1.840 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.588 -10.993 -4.435 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -5.594 -8.358 -1.082 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.740 -11.058 -1.734 1.00 50.00 H new ATOM 486 N THR A 32 0.855 -8.866 -5.669 1.00 10.00 N ATOM 487 CA THR A 32 2.031 -8.340 -6.350 1.00 10.00 C ATOM 488 C THR A 32 1.687 -7.859 -7.754 1.00 10.00 C ATOM 489 O THR A 32 2.366 -6.995 -8.310 1.00 50.00 O ATOM 490 CB THR A 32 3.151 -9.393 -6.440 1.00 50.00 C ATOM 491 OG1 THR A 32 2.690 -10.521 -7.195 1.00 50.00 O ATOM 492 CG2 THR A 32 3.564 -9.852 -5.050 1.00 50.00 C ATOM 0 H THR A 32 0.391 -9.631 -6.159 1.00 10.00 H new ATOM 0 HA THR A 32 2.384 -7.497 -5.757 1.00 10.00 H new ATOM 0 HB THR A 32 4.013 -8.944 -6.934 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.404 -11.190 -7.253 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.356 -10.596 -5.133 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.926 -8.998 -4.478 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.706 -10.291 -4.542 1.00 50.00 H new ATOM 500 N LYS A 33 0.628 -8.423 -8.324 1.00 10.00 N ATOM 501 CA LYS A 33 0.238 -8.113 -9.694 1.00 50.00 C ATOM 502 C LYS A 33 -1.141 -7.468 -9.743 1.00 50.00 C ATOM 503 O LYS A 33 -1.991 -7.735 -8.893 1.00 50.00 O ATOM 504 CB LYS A 33 0.260 -9.377 -10.555 1.00 50.00 C ATOM 505 CG LYS A 33 1.643 -9.984 -10.746 1.00 50.00 C ATOM 506 CD LYS A 33 1.589 -11.211 -11.645 1.00 50.00 C ATOM 507 CE LYS A 33 2.972 -11.809 -11.852 1.00 75.00 C ATOM 508 NZ LYS A 33 2.937 -12.997 -12.746 1.00 75.00 N ATOM 0 H LYS A 33 0.023 -9.099 -7.857 1.00 10.00 H new ATOM 0 HA LYS A 33 0.960 -7.400 -10.093 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.391 -10.123 -10.100 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.159 -9.143 -11.534 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.312 -9.241 -11.181 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.059 -10.259 -9.777 1.00 50.00 H new ATOM 0 HD2 LYS A 33 0.930 -11.959 -11.203 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.161 -10.939 -12.610 1.00 50.00 H new ATOM 0 HE2 LYS A 33 3.633 -11.054 -12.278 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.392 -12.093 -10.887 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 3.900 -13.374 -12.861 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 2.327 -13.728 -12.328 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 2.560 -12.721 -13.675 1.00 75.00 H new ATOM 522 N VAL A 34 -1.358 -6.622 -10.742 1.00 50.00 N ATOM 523 CA VAL A 34 -2.654 -5.983 -10.939 1.00 50.00 C ATOM 524 C VAL A 34 -3.660 -6.953 -11.545 1.00 50.00 C ATOM 525 O VAL A 34 -3.377 -7.605 -12.551 1.00 50.00 O ATOM 526 CB VAL A 34 -2.543 -4.742 -11.844 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.920 -4.169 -12.136 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.655 -3.690 -11.199 1.00 50.00 C ATOM 0 H VAL A 34 -0.652 -6.362 -11.430 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.002 -5.671 -9.954 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.089 -5.045 -12.788 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.821 -3.293 -12.777 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.527 -4.921 -12.640 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.401 -3.882 -11.201 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.588 -2.820 -11.852 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.081 -3.392 -10.241 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.659 -4.102 -11.041 1.00 50.00 H new ATOM 538 N ASP A 35 -4.832 -7.044 -10.929 1.00 50.00 N ATOM 539 CA ASP A 35 -5.886 -7.927 -11.413 1.00 50.00 C ATOM 540 C ASP A 35 -7.232 -7.572 -10.794 1.00 50.00 C ATOM 541 O ASP A 35 -7.306 -6.760 -9.872 1.00 50.00 O ATOM 542 CB ASP A 35 -5.540 -9.389 -11.117 1.00 50.00 C ATOM 543 CG ASP A 35 -6.185 -10.392 -12.064 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.917 -9.977 -12.930 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.823 -11.544 -12.014 1.00 50.00 O ATOM 0 H ASP A 35 -5.077 -6.516 -10.091 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.962 -7.793 -12.492 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.458 -9.510 -11.162 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.845 -9.623 -10.097 1.00 50.00 H new ATOM 550 N ASP A 36 -8.294 -8.185 -11.306 1.00 50.00 N ATOM 551 CA ASP A 36 -9.649 -7.832 -10.903 1.00 50.00 C ATOM 552 C ASP A 36 -9.953 -8.326 -9.494 1.00 50.00 C ATOM 553 O ASP A 36 -10.877 -7.841 -8.842 1.00 50.00 O ATOM 554 CB ASP A 36 -10.669 -8.404 -11.892 1.00 50.00 C ATOM 555 CG ASP A 36 -10.700 -7.698 -13.241 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.135 -6.635 -13.348 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.150 -8.294 -14.190 1.00 50.00 O ATOM 0 H ASP A 36 -8.242 -8.929 -12.001 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.724 -6.745 -10.906 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.449 -9.459 -12.053 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.661 -8.350 -11.444 1.00 50.00 H new ATOM 562 N SER A 37 -9.170 -9.294 -9.032 1.00 50.00 N ATOM 563 CA SER A 37 -9.414 -9.924 -7.739 1.00 50.00 C ATOM 564 C SER A 37 -8.971 -9.021 -6.595 1.00 50.00 C ATOM 565 O SER A 37 -9.341 -9.240 -5.440 1.00 50.00 O ATOM 566 CB SER A 37 -8.697 -11.259 -7.666 1.00 50.00 C ATOM 567 OG SER A 37 -7.303 -11.108 -7.670 1.00 50.00 O ATOM 0 H SER A 37 -8.361 -9.660 -9.533 1.00 50.00 H new ATOM 0 HA SER A 37 -10.486 -10.091 -7.639 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.002 -11.785 -6.761 1.00 50.00 H new ATOM 0 HB3 SER A 37 -8.997 -11.878 -8.511 1.00 50.00 H new ATOM 0 HG SER A 37 -7.074 -10.188 -7.919 1.00 50.00 H new ATOM 573 N GLN A 38 -8.181 -8.005 -6.921 1.00 50.00 N ATOM 574 CA GLN A 38 -7.749 -7.023 -5.933 1.00 50.00 C ATOM 575 C GLN A 38 -8.735 -5.866 -5.837 1.00 50.00 C ATOM 576 O GLN A 38 -9.407 -5.530 -6.812 1.00 50.00 O ATOM 577 CB GLN A 38 -6.357 -6.487 -6.283 1.00 50.00 C ATOM 578 CG GLN A 38 -5.251 -7.525 -6.199 1.00 50.00 C ATOM 579 CD GLN A 38 -5.182 -8.398 -7.438 1.00 50.00 C ATOM 580 OE1 GLN A 38 -6.191 -8.630 -8.108 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.987 -8.892 -7.747 1.00 50.00 N ATOM 0 H GLN A 38 -7.826 -7.839 -7.863 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.709 -7.524 -4.966 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.381 -6.079 -7.293 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.118 -5.662 -5.611 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -4.294 -7.022 -6.059 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.412 -8.154 -5.323 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.179 -8.674 -7.164 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -3.878 -9.489 -8.567 1.00 50.00 H new ATOM 590 N PRO A 39 -8.816 -5.262 -4.657 1.00 50.00 N ATOM 591 CA PRO A 39 -9.508 -3.988 -4.495 1.00 50.00 C ATOM 592 C PRO A 39 -9.045 -2.975 -5.533 1.00 50.00 C ATOM 593 O PRO A 39 -7.872 -2.950 -5.911 1.00 50.00 O ATOM 594 CB PRO A 39 -9.161 -3.552 -3.069 1.00 50.00 C ATOM 595 CG PRO A 39 -8.806 -4.820 -2.369 1.00 50.00 C ATOM 596 CD PRO A 39 -8.132 -5.674 -3.409 1.00 50.00 C ATOM 0 HA PRO A 39 -10.585 -4.070 -4.643 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.330 -2.847 -3.060 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.004 -3.056 -2.589 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -8.142 -4.631 -1.525 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.694 -5.312 -1.972 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.059 -5.487 -3.454 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.262 -6.737 -3.207 1.00 50.00 H new ATOM 604 N ALA A 40 -9.970 -2.139 -5.992 1.00 50.00 N ATOM 605 CA ALA A 40 -9.631 -1.031 -6.877 1.00 50.00 C ATOM 606 C ALA A 40 -8.441 -0.244 -6.343 1.00 50.00 C ATOM 607 O ALA A 40 -7.510 0.071 -7.084 1.00 50.00 O ATOM 608 CB ALA A 40 -10.833 -0.119 -7.067 1.00 50.00 C ATOM 0 H ALA A 40 -10.962 -2.208 -5.765 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.350 -1.445 -7.845 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.565 0.703 -7.730 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.654 -0.686 -7.506 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.143 0.280 -6.101 1.00 50.00 H new ATOM 614 N PHE A 41 -8.478 0.072 -5.054 1.00 50.00 N ATOM 615 CA PHE A 41 -7.383 0.788 -4.408 1.00 50.00 C ATOM 616 C PHE A 41 -6.058 0.064 -4.610 1.00 50.00 C ATOM 617 O PHE A 41 -5.053 0.676 -4.968 1.00 50.00 O ATOM 618 CB PHE A 41 -7.666 0.962 -2.916 1.00 50.00 C ATOM 619 CG PHE A 41 -8.772 1.934 -2.618 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.265 2.770 -3.609 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.322 2.016 -1.347 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.283 3.666 -3.337 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.340 2.908 -1.073 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.819 3.734 -2.068 1.00 75.00 C ATOM 0 H PHE A 41 -9.255 -0.156 -4.434 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.307 1.772 -4.871 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.922 -0.008 -2.489 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.756 1.299 -2.420 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.849 2.721 -4.605 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.949 1.374 -0.562 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.658 4.312 -4.117 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.761 2.959 -0.080 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.613 4.434 -1.854 1.00 75.00 H new ATOM 634 N ILE A 42 -6.063 -1.244 -4.375 1.00 50.00 N ATOM 635 CA ILE A 42 -4.840 -2.037 -4.435 1.00 50.00 C ATOM 636 C ILE A 42 -4.269 -2.064 -5.848 1.00 10.00 C ATOM 637 O ILE A 42 -3.052 -2.054 -6.034 1.00 50.00 O ATOM 638 CB ILE A 42 -5.082 -3.482 -3.962 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.470 -3.501 -2.481 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.845 -4.334 -4.202 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.432 -2.885 -1.570 1.00 50.00 C ATOM 0 H ILE A 42 -6.900 -1.778 -4.141 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.123 -1.560 -3.767 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.906 -3.902 -4.539 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.412 -2.968 -2.355 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.643 -4.532 -2.174 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.033 -5.352 -3.862 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.611 -4.344 -5.267 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.003 -3.917 -3.650 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.778 -2.935 -0.538 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.494 -3.432 -1.665 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.275 -1.843 -1.850 1.00 50.00 H new ATOM 653 N ASN A 43 -5.153 -2.097 -6.837 1.00 10.00 N ATOM 654 CA ASN A 43 -4.741 -2.066 -8.235 1.00 10.00 C ATOM 655 C ASN A 43 -4.075 -0.741 -8.583 1.00 10.00 C ATOM 656 O ASN A 43 -3.002 -0.713 -9.185 1.00 50.00 O ATOM 657 CB ASN A 43 -5.910 -2.326 -9.166 1.00 50.00 C ATOM 658 CG ASN A 43 -6.324 -3.771 -9.229 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.515 -4.679 -9.008 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.557 -3.989 -9.609 1.00 50.00 N ATOM 0 H ASN A 43 -6.162 -2.145 -6.697 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.013 -2.866 -8.373 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.761 -1.727 -8.842 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.646 -1.989 -10.168 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.890 -4.945 -9.736 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.185 -3.203 -9.778 1.00 50.00 H new ATOM 667 N ASP A 44 -4.719 0.357 -8.202 1.00 10.00 N ATOM 668 CA ASP A 44 -4.165 1.686 -8.425 1.00 10.00 C ATOM 669 C ASP A 44 -2.787 1.821 -7.790 1.00 10.00 C ATOM 670 O ASP A 44 -1.848 2.312 -8.419 1.00 50.00 O ATOM 671 CB ASP A 44 -5.107 2.759 -7.873 1.00 50.00 C ATOM 672 CG ASP A 44 -6.374 2.967 -8.692 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.433 2.474 -9.793 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.327 3.479 -8.155 1.00 50.00 O ATOM 0 H ASP A 44 -5.627 0.352 -7.737 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.060 1.828 -9.501 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.388 2.490 -6.855 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.567 3.704 -7.815 1.00 50.00 H new ATOM 679 N ILE A 45 -2.672 1.385 -6.541 1.00 10.00 N ATOM 680 CA ILE A 45 -1.415 1.481 -5.809 1.00 10.00 C ATOM 681 C ILE A 45 -0.312 0.690 -6.500 1.00 10.00 C ATOM 682 O ILE A 45 0.817 1.164 -6.631 1.00 50.00 O ATOM 683 CB ILE A 45 -1.564 0.979 -4.360 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.469 1.919 -3.560 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.201 0.855 -3.698 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.916 1.351 -2.232 1.00 50.00 C ATOM 0 H ILE A 45 -3.435 0.961 -6.014 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.143 2.536 -5.791 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.026 -0.008 -4.380 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.940 2.856 -3.384 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.349 2.157 -4.158 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.324 0.499 -2.675 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.412 0.148 -4.257 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.288 1.829 -3.687 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.554 2.074 -1.723 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.474 0.430 -2.400 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.043 1.139 -1.615 1.00 50.00 H new ATOM 698 N LEU A 46 -0.645 -0.517 -6.941 1.00 10.00 N ATOM 699 CA LEU A 46 0.285 -1.336 -7.709 1.00 10.00 C ATOM 700 C LEU A 46 0.749 -0.610 -8.966 1.00 10.00 C ATOM 701 O LEU A 46 1.909 -0.718 -9.364 1.00 50.00 O ATOM 702 CB LEU A 46 -0.366 -2.674 -8.078 1.00 50.00 C ATOM 703 CG LEU A 46 -0.548 -3.654 -6.911 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.422 -4.824 -7.344 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.813 -4.143 -6.442 1.00 50.00 C ATOM 0 H LEU A 46 -1.554 -0.951 -6.780 1.00 10.00 H new ATOM 0 HA LEU A 46 1.160 -1.527 -7.087 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.342 -2.475 -8.521 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.240 -3.156 -8.845 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.043 -3.147 -6.083 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.546 -5.514 -6.509 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.398 -4.453 -7.656 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.948 -5.343 -8.177 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.684 -4.839 -5.613 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.321 -4.648 -7.264 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.411 -3.293 -6.112 1.00 50.00 H new ATOM 717 N LYS A 47 -0.163 0.130 -9.587 1.00 10.00 N ATOM 718 CA LYS A 47 0.138 0.834 -10.827 1.00 10.00 C ATOM 719 C LYS A 47 1.028 2.043 -10.573 1.00 10.00 C ATOM 720 O LYS A 47 1.728 2.510 -11.471 1.00 50.00 O ATOM 721 CB LYS A 47 -1.154 1.268 -11.522 1.00 50.00 C ATOM 722 CG LYS A 47 -1.941 0.128 -12.154 1.00 50.00 C ATOM 723 CD LYS A 47 -3.206 0.637 -12.829 1.00 50.00 C ATOM 724 CE LYS A 47 -3.998 -0.501 -13.455 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.223 -0.014 -14.145 1.00 50.00 N ATOM 0 H LYS A 47 -1.118 0.258 -9.251 1.00 10.00 H new ATOM 0 HA LYS A 47 0.677 0.146 -11.478 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.790 1.774 -10.796 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.910 1.997 -12.295 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.317 -0.385 -12.886 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.203 -0.603 -11.389 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.827 1.155 -12.098 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.943 1.365 -13.597 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.367 -1.032 -14.168 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.278 -1.216 -12.682 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.733 -0.821 -14.557 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.838 0.471 -13.460 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.956 0.649 -14.900 1.00 50.00 H new ATOM 739 N VAL A 48 0.995 2.548 -9.344 1.00 10.00 N ATOM 740 CA VAL A 48 1.863 3.650 -8.944 1.00 10.00 C ATOM 741 C VAL A 48 3.331 3.276 -9.095 1.00 10.00 C ATOM 742 O VAL A 48 3.789 2.282 -8.530 1.00 50.00 O ATOM 743 CB VAL A 48 1.598 4.078 -7.489 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.629 5.101 -7.039 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.193 4.643 -7.346 1.00 50.00 C ATOM 0 H VAL A 48 0.376 2.211 -8.607 1.00 10.00 H new ATOM 0 HA VAL A 48 1.635 4.486 -9.605 1.00 10.00 H new ATOM 0 HB VAL A 48 1.682 3.198 -6.851 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.427 5.392 -6.008 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.626 4.665 -7.104 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.574 5.980 -7.682 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.024 4.940 -6.311 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.082 5.511 -7.995 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.535 3.883 -7.629 1.00 50.00 H new ATOM 755 N GLU A 49 4.065 4.078 -9.859 1.00 10.00 N ATOM 756 CA GLU A 49 5.473 3.806 -10.122 1.00 10.00 C ATOM 757 C GLU A 49 6.269 3.717 -8.826 1.00 10.00 C ATOM 758 O GLU A 49 6.249 4.638 -8.010 1.00 50.00 O ATOM 759 CB GLU A 49 6.065 4.885 -11.029 1.00 50.00 C ATOM 760 CG GLU A 49 7.510 4.638 -11.442 1.00 50.00 C ATOM 761 CD GLU A 49 8.008 5.716 -12.362 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.233 6.570 -12.723 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.188 5.753 -12.618 1.00 50.00 O ATOM 0 H GLU A 49 3.708 4.922 -10.307 1.00 10.00 H new ATOM 0 HA GLU A 49 5.538 2.843 -10.628 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.452 4.964 -11.927 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.006 5.845 -10.517 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.141 4.594 -10.555 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.588 3.670 -11.937 1.00 50.00 H new ATOM 770 N GLY A 50 6.970 2.603 -8.644 1.00 10.00 N ATOM 771 CA GLY A 50 7.846 2.429 -7.493 1.00 10.00 C ATOM 772 C GLY A 50 7.355 1.305 -6.590 1.00 10.00 C ATOM 773 O GLY A 50 8.152 0.612 -5.956 1.00 50.00 O ATOM 0 H GLY A 50 6.948 1.806 -9.280 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.858 2.210 -7.833 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.895 3.359 -6.926 1.00 10.00 H new ATOM 777 N VAL A 51 6.040 1.129 -6.534 1.00 10.00 N ATOM 778 CA VAL A 51 5.436 0.130 -5.661 1.00 10.00 C ATOM 779 C VAL A 51 5.769 -1.281 -6.125 1.00 10.00 C ATOM 780 O VAL A 51 5.518 -1.641 -7.275 1.00 50.00 O ATOM 781 CB VAL A 51 3.906 0.291 -5.592 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.290 -0.829 -4.769 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.538 1.644 -5.004 1.00 50.00 C ATOM 0 H VAL A 51 5.370 1.667 -7.084 1.00 10.00 H new ATOM 0 HA VAL A 51 5.853 0.289 -4.667 1.00 10.00 H new ATOM 0 HB VAL A 51 3.509 0.235 -6.605 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.208 -0.700 -4.731 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.525 -1.789 -5.228 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.695 -0.802 -3.757 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.453 1.740 -4.963 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.948 1.727 -3.997 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.949 2.436 -5.629 1.00 50.00 H new ATOM 793 N LYS A 52 6.335 -2.077 -5.225 1.00 10.00 N ATOM 794 CA LYS A 52 6.810 -3.411 -5.573 1.00 10.00 C ATOM 795 C LYS A 52 5.774 -4.474 -5.225 1.00 10.00 C ATOM 796 O LYS A 52 5.344 -5.240 -6.087 1.00 50.00 O ATOM 797 CB LYS A 52 8.130 -3.711 -4.861 1.00 50.00 C ATOM 798 CG LYS A 52 8.728 -5.072 -5.192 1.00 50.00 C ATOM 799 CD LYS A 52 10.044 -5.290 -4.462 1.00 50.00 C ATOM 800 CE LYS A 52 10.658 -6.636 -4.819 1.00 50.00 C ATOM 801 NZ LYS A 52 11.979 -6.837 -4.161 1.00 50.00 N ATOM 0 H LYS A 52 6.476 -1.821 -4.248 1.00 10.00 H new ATOM 0 HA LYS A 52 6.974 -3.436 -6.650 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.853 -2.937 -5.120 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.970 -3.650 -3.785 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.023 -5.857 -4.918 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.889 -5.149 -6.267 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.740 -4.491 -4.717 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.879 -5.237 -3.386 1.00 50.00 H new ATOM 0 HE2 LYS A 52 9.979 -7.435 -4.521 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.777 -6.705 -5.900 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.363 -7.765 -4.430 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.635 -6.090 -4.465 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.862 -6.797 -3.128 1.00 50.00 H new ATOM 815 N SER A 53 5.378 -4.513 -3.958 1.00 10.00 N ATOM 816 CA SER A 53 4.456 -5.535 -3.475 1.00 10.00 C ATOM 817 C SER A 53 3.581 -4.999 -2.349 1.00 10.00 C ATOM 818 O SER A 53 3.968 -4.073 -1.637 1.00 50.00 O ATOM 819 CB SER A 53 5.226 -6.757 -3.011 1.00 50.00 C ATOM 820 OG SER A 53 6.020 -6.483 -1.889 1.00 50.00 O ATOM 0 H SER A 53 5.681 -3.848 -3.246 1.00 10.00 H new ATOM 0 HA SER A 53 3.803 -5.820 -4.300 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.526 -7.558 -2.773 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.858 -7.117 -3.823 1.00 50.00 H new ATOM 0 HG SER A 53 6.498 -7.295 -1.620 1.00 50.00 H new ATOM 826 N ILE A 54 2.402 -5.589 -2.191 1.00 10.00 N ATOM 827 CA ILE A 54 1.474 -5.176 -1.147 1.00 10.00 C ATOM 828 C ILE A 54 1.041 -6.363 -0.294 1.00 10.00 C ATOM 829 O ILE A 54 0.662 -7.410 -0.817 1.00 50.00 O ATOM 830 CB ILE A 54 0.223 -4.500 -1.738 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.619 -3.266 -2.553 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.749 -4.120 -0.631 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.521 -2.659 -3.337 1.00 50.00 C ATOM 0 H ILE A 54 2.066 -6.356 -2.774 1.00 10.00 H new ATOM 0 HA ILE A 54 2.004 -4.457 -0.523 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.273 -5.208 -2.402 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.025 -2.512 -1.879 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.417 -3.539 -3.243 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.628 -3.643 -1.066 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.053 -5.016 -0.090 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.264 -3.428 0.057 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.162 -1.790 -3.888 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.914 -3.396 -4.038 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.311 -2.353 -2.652 1.00 50.00 H new ATOM 845 N PHE A 55 1.101 -6.192 1.022 1.00 10.00 N ATOM 846 CA PHE A 55 0.590 -7.195 1.948 1.00 10.00 C ATOM 847 C PHE A 55 -0.582 -6.651 2.754 1.00 10.00 C ATOM 848 O PHE A 55 -0.503 -5.568 3.333 1.00 50.00 O ATOM 849 CB PHE A 55 1.700 -7.668 2.888 1.00 50.00 C ATOM 850 CG PHE A 55 1.232 -8.639 3.936 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.882 -9.936 3.595 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.143 -8.255 5.266 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.451 -10.829 4.558 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.715 -9.145 6.231 1.00 50.00 C ATOM 855 CZ PHE A 55 0.368 -10.433 5.876 1.00 50.00 C ATOM 0 H PHE A 55 1.499 -5.367 1.472 1.00 10.00 H new ATOM 0 HA PHE A 55 0.237 -8.043 1.362 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.488 -8.136 2.298 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.141 -6.801 3.380 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.947 -10.253 2.565 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.412 -7.248 5.550 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.179 -11.836 4.278 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.652 -8.834 7.263 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.032 -11.130 6.630 1.00 50.00 H new ATOM 865 N HIS A 56 -1.673 -7.410 2.788 1.00 10.00 N ATOM 866 CA HIS A 56 -2.852 -7.024 3.553 1.00 10.00 C ATOM 867 C HIS A 56 -3.098 -7.984 4.710 1.00 10.00 C ATOM 868 O HIS A 56 -2.935 -9.195 4.570 1.00 50.00 O ATOM 869 CB HIS A 56 -4.088 -6.967 2.649 1.00 50.00 C ATOM 870 CG HIS A 56 -5.355 -6.645 3.380 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.098 -7.605 4.035 1.00 50.00 N ATOM 872 CD2 HIS A 56 -6.008 -5.474 3.560 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.155 -7.035 4.588 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.124 -5.745 4.313 1.00 50.00 N ATOM 0 H HIS A 56 -1.764 -8.297 2.293 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.668 -6.031 3.964 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.926 -6.218 1.874 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.203 -7.927 2.146 1.00 50.00 H new ATOM 0 HD1 HIS A 56 -5.868 -8.598 4.085 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.708 -4.508 3.182 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.915 -7.540 5.167 1.00 50.00 H new ATOM 882 N VAL A 57 -3.493 -7.434 5.854 1.00 10.00 N ATOM 883 CA VAL A 57 -3.879 -8.247 7.001 1.00 10.00 C ATOM 884 C VAL A 57 -4.740 -7.452 7.975 1.00 10.00 C ATOM 885 O VAL A 57 -4.483 -6.275 8.227 1.00 50.00 O ATOM 886 CB VAL A 57 -2.648 -8.793 7.747 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.794 -7.649 8.274 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.075 -9.705 8.887 1.00 50.00 C ATOM 0 H VAL A 57 -3.554 -6.428 6.011 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.457 -9.085 6.611 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.052 -9.375 7.045 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.928 -8.053 8.799 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.458 -7.032 7.441 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.383 -7.041 8.961 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.191 -10.081 9.402 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.694 -9.145 9.589 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.647 -10.543 8.488 1.00 50.00 H new ATOM 898 N MET A 58 -5.763 -8.102 8.520 1.00 10.00 N ATOM 899 CA MET A 58 -6.625 -7.476 9.514 1.00 10.00 C ATOM 900 C MET A 58 -7.209 -6.170 8.993 1.00 10.00 C ATOM 901 O MET A 58 -8.102 -6.170 8.147 1.00 50.00 O ATOM 902 CB MET A 58 -5.849 -7.232 10.806 1.00 50.00 C ATOM 903 CG MET A 58 -6.702 -6.748 11.972 1.00 50.00 C ATOM 904 SD MET A 58 -5.730 -6.420 13.456 1.00 75.00 S ATOM 905 CE MET A 58 -5.274 -8.084 13.935 1.00 75.00 C ATOM 0 H MET A 58 -6.015 -9.063 8.289 1.00 10.00 H new ATOM 0 HA MET A 58 -7.452 -8.155 9.720 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.350 -8.157 11.096 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.068 -6.496 10.613 1.00 50.00 H new ATOM 0 HG2 MET A 58 -7.229 -5.840 11.679 1.00 50.00 H new ATOM 0 HG3 MET A 58 -7.461 -7.497 12.198 1.00 50.00 H new ATOM 0 HE1 MET A 58 -4.872 -8.074 14.948 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.154 -8.727 13.900 1.00 75.00 H new ATOM 0 HE3 MET A 58 -4.518 -8.466 13.249 1.00 75.00 H new ATOM 915 N ASP A 59 -6.698 -5.055 9.506 1.00 10.00 N ATOM 916 CA ASP A 59 -7.218 -3.739 9.148 1.00 10.00 C ATOM 917 C ASP A 59 -6.086 -2.753 8.890 1.00 10.00 C ATOM 918 O ASP A 59 -6.214 -1.560 9.168 1.00 50.00 O ATOM 919 CB ASP A 59 -8.137 -3.209 10.252 1.00 50.00 C ATOM 920 CG ASP A 59 -7.453 -3.008 11.598 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.283 -3.290 11.695 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.059 -2.431 12.468 1.00 50.00 O ATOM 0 H ASP A 59 -5.925 -5.036 10.171 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.794 -3.845 8.229 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.562 -2.259 9.929 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.968 -3.903 10.380 1.00 50.00 H new ATOM 927 N PHE A 60 -4.979 -3.256 8.356 1.00 10.00 N ATOM 928 CA PHE A 60 -3.876 -2.402 7.930 1.00 10.00 C ATOM 929 C PHE A 60 -3.110 -3.028 6.772 1.00 10.00 C ATOM 930 O PHE A 60 -3.134 -4.244 6.584 1.00 50.00 O ATOM 931 CB PHE A 60 -2.930 -2.129 9.100 1.00 50.00 C ATOM 932 CG PHE A 60 -2.254 -3.361 9.635 1.00 50.00 C ATOM 933 CD1 PHE A 60 -2.870 -4.143 10.600 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.003 -3.738 9.174 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.252 -5.274 11.094 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.381 -4.870 9.665 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.005 -5.639 10.624 1.00 50.00 C ATOM 0 H PHE A 60 -4.821 -4.253 8.207 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.298 -1.457 7.587 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.168 -1.418 8.781 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.491 -1.655 9.905 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -3.846 -3.864 10.970 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.508 -3.140 8.422 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.743 -5.873 11.847 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.594 -5.152 9.297 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.520 -6.525 11.007 1.00 50.00 H new ATOM 947 N ILE A 61 -2.430 -2.190 5.998 1.00 10.00 N ATOM 948 CA ILE A 61 -1.745 -2.644 4.794 1.00 10.00 C ATOM 949 C ILE A 61 -0.264 -2.291 4.835 1.00 10.00 C ATOM 950 O ILE A 61 0.107 -1.167 5.175 1.00 50.00 O ATOM 951 CB ILE A 61 -2.372 -2.036 3.524 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.828 -2.490 3.378 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.565 -2.423 2.295 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.566 -1.814 2.246 1.00 50.00 C ATOM 0 H ILE A 61 -2.338 -1.191 6.183 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.856 -3.728 4.761 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.357 -0.950 3.616 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.849 -3.568 3.220 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.355 -2.294 4.312 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.022 -1.985 1.407 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.545 -2.053 2.398 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.549 -3.508 2.197 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.590 -2.186 2.205 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.578 -0.737 2.412 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.063 -2.031 1.303 1.00 50.00 H new ATOM 966 N SER A 62 0.578 -3.257 4.487 1.00 10.00 N ATOM 967 CA SER A 62 2.012 -3.019 4.374 1.00 10.00 C ATOM 968 C SER A 62 2.429 -2.857 2.917 1.00 10.00 C ATOM 969 O SER A 62 2.397 -3.812 2.142 1.00 50.00 O ATOM 970 CB SER A 62 2.782 -4.153 5.020 1.00 50.00 C ATOM 971 OG SER A 62 4.168 -3.983 4.901 1.00 50.00 O ATOM 0 H SER A 62 0.292 -4.214 4.278 1.00 10.00 H new ATOM 0 HA SER A 62 2.245 -2.090 4.895 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.514 -4.218 6.075 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.492 -5.097 4.559 1.00 50.00 H new ATOM 0 HG SER A 62 4.628 -4.734 5.331 1.00 50.00 H new ATOM 977 N VAL A 63 2.824 -1.642 2.553 1.00 10.00 N ATOM 978 CA VAL A 63 3.156 -1.327 1.168 1.00 10.00 C ATOM 979 C VAL A 63 4.663 -1.205 0.977 1.00 10.00 C ATOM 980 O VAL A 63 5.298 -0.311 1.536 1.00 50.00 O ATOM 981 CB VAL A 63 2.482 -0.023 0.707 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.877 0.302 -0.725 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.971 -0.131 0.829 1.00 50.00 C ATOM 0 H VAL A 63 2.922 -0.858 3.198 1.00 10.00 H new ATOM 0 HA VAL A 63 2.782 -2.151 0.561 1.00 10.00 H new ATOM 0 HB VAL A 63 2.822 0.787 1.352 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.392 1.227 -1.035 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.959 0.422 -0.786 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.564 -0.510 -1.382 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.512 0.801 0.498 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.614 -0.952 0.208 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.702 -0.319 1.869 1.00 50.00 H new ATOM 993 N ASP A 64 5.229 -2.109 0.186 1.00 10.00 N ATOM 994 CA ASP A 64 6.674 -2.162 -0.005 1.00 10.00 C ATOM 995 C ASP A 64 7.058 -1.730 -1.416 1.00 10.00 C ATOM 996 O ASP A 64 6.463 -2.179 -2.396 1.00 50.00 O ATOM 997 CB ASP A 64 7.201 -3.570 0.275 1.00 50.00 C ATOM 998 CG ASP A 64 8.715 -3.706 0.177 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.360 -2.735 -0.142 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.225 -4.726 0.570 1.00 50.00 O ATOM 0 H ASP A 64 4.709 -2.816 -0.334 1.00 10.00 H new ATOM 0 HA ASP A 64 7.129 -1.468 0.701 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.885 -3.871 1.274 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.740 -4.264 -0.428 1.00 50.00 H new ATOM 1005 N LYS A 65 8.056 -0.858 -1.511 1.00 10.00 N ATOM 1006 CA LYS A 65 8.472 -0.309 -2.796 1.00 10.00 C ATOM 1007 C LYS A 65 9.924 -0.656 -3.098 1.00 10.00 C ATOM 1008 O LYS A 65 10.646 -1.155 -2.233 1.00 50.00 O ATOM 1009 CB LYS A 65 8.279 1.208 -2.818 1.00 50.00 C ATOM 1010 CG LYS A 65 8.964 1.946 -1.675 1.00 50.00 C ATOM 1011 CD LYS A 65 10.470 2.010 -1.883 1.00 50.00 C ATOM 1012 CE LYS A 65 11.170 2.620 -0.678 1.00 50.00 C ATOM 1013 NZ LYS A 65 11.239 4.104 -0.765 1.00 50.00 N ATOM 0 H LYS A 65 8.592 -0.516 -0.713 1.00 10.00 H new ATOM 0 HA LYS A 65 7.846 -0.757 -3.568 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.657 1.596 -3.764 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.212 1.427 -2.788 1.00 50.00 H new ATOM 0 HG2 LYS A 65 8.562 2.956 -1.599 1.00 50.00 H new ATOM 0 HG3 LYS A 65 8.746 1.444 -0.732 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.857 1.007 -2.062 1.00 50.00 H new ATOM 0 HD3 LYS A 65 10.692 2.600 -2.772 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.641 2.334 0.231 1.00 50.00 H new ATOM 0 HE3 LYS A 65 12.179 2.214 -0.601 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 11.797 4.473 0.032 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 11.691 4.379 -1.661 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 10.278 4.499 -0.727 1.00 50.00 H new ATOM 1027 N GLU A 66 10.347 -0.390 -4.328 1.00 10.00 N ATOM 1028 CA GLU A 66 11.687 -0.755 -4.775 1.00 10.00 C ATOM 1029 C GLU A 66 12.734 0.190 -4.202 1.00 10.00 C ATOM 1030 O GLU A 66 12.434 1.335 -3.868 1.00 50.00 O ATOM 1031 CB GLU A 66 11.760 -0.757 -6.303 1.00 50.00 C ATOM 1032 CG GLU A 66 10.908 -1.827 -6.972 1.00 50.00 C ATOM 1033 CD GLU A 66 11.082 -1.811 -8.465 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.787 -0.959 -8.951 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.603 -2.713 -9.109 1.00 50.00 O ATOM 0 H GLU A 66 9.781 0.078 -5.035 1.00 10.00 H new ATOM 0 HA GLU A 66 11.898 -1.760 -4.410 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.449 0.221 -6.671 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.798 -0.895 -6.605 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.181 -2.808 -6.583 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.859 -1.666 -6.725 1.00 50.00 H new ATOM 1042 N ASN A 67 13.965 -0.296 -4.092 1.00 10.00 N ATOM 1043 CA ASN A 67 15.034 0.458 -3.448 1.00 10.00 C ATOM 1044 C ASN A 67 15.244 1.805 -4.128 1.00 10.00 C ATOM 1045 O ASN A 67 15.500 2.812 -3.470 1.00 50.00 O ATOM 1046 CB ASN A 67 16.333 -0.325 -3.424 1.00 50.00 C ATOM 1047 CG ASN A 67 16.337 -1.458 -2.437 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.535 -1.492 -1.496 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.289 -2.344 -2.597 1.00 50.00 N ATOM 0 H ASN A 67 14.248 -1.211 -4.442 1.00 10.00 H new ATOM 0 HA ASN A 67 14.726 0.634 -2.417 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.526 -0.722 -4.421 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.152 0.354 -3.187 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.394 -3.107 -1.928 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.925 -2.271 -3.391 1.00 50.00 H new ATOM 1056 N ASP A 68 15.133 1.815 -5.453 1.00 10.00 N ATOM 1057 CA ASP A 68 15.306 3.040 -6.226 1.00 10.00 C ATOM 1058 C ASP A 68 14.183 4.031 -5.946 1.00 10.00 C ATOM 1059 O ASP A 68 14.421 5.233 -5.821 1.00 50.00 O ATOM 1060 CB ASP A 68 15.367 2.725 -7.723 1.00 50.00 C ATOM 1061 CG ASP A 68 16.661 2.058 -8.173 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.597 2.045 -7.409 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.653 1.430 -9.206 1.00 50.00 O ATOM 0 H ASP A 68 14.924 0.989 -6.013 1.00 10.00 H new ATOM 0 HA ASP A 68 16.248 3.496 -5.921 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.530 2.076 -7.980 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.236 3.651 -8.283 1.00 50.00 H new ATOM 1068 N ALA A 69 12.960 3.521 -5.849 1.00 10.00 N ATOM 1069 CA ALA A 69 11.794 4.366 -5.619 1.00 10.00 C ATOM 1070 C ALA A 69 11.899 5.099 -4.289 1.00 10.00 C ATOM 1071 O ALA A 69 12.477 4.587 -3.330 1.00 50.00 O ATOM 1072 CB ALA A 69 10.520 3.535 -5.672 1.00 50.00 C ATOM 0 H ALA A 69 12.750 2.526 -5.926 1.00 10.00 H new ATOM 0 HA ALA A 69 11.757 5.114 -6.411 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.658 4.179 -5.499 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.432 3.067 -6.652 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.557 2.763 -4.903 1.00 50.00 H new ATOM 1078 N ASN A 70 11.337 6.302 -4.237 1.00 10.00 N ATOM 1079 CA ASN A 70 11.328 7.091 -3.010 1.00 10.00 C ATOM 1080 C ASN A 70 9.907 7.315 -2.509 1.00 10.00 C ATOM 1081 O ASN A 70 8.972 7.442 -3.300 1.00 50.00 O ATOM 1082 CB ASN A 70 12.034 8.421 -3.201 1.00 50.00 C ATOM 1083 CG ASN A 70 13.496 8.290 -3.526 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.299 7.844 -2.699 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.858 8.752 -4.696 1.00 50.00 N ATOM 0 H ASN A 70 10.881 6.752 -5.031 1.00 10.00 H new ATOM 0 HA ASN A 70 11.873 6.522 -2.257 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.541 8.972 -4.002 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.925 9.014 -2.293 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.843 8.755 -4.961 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.155 9.109 -5.343 1.00 50.00 H new ATOM 1092 N TRP A 71 9.752 7.365 -1.191 1.00 10.00 N ATOM 1093 CA TRP A 71 8.441 7.560 -0.581 1.00 10.00 C ATOM 1094 C TRP A 71 7.929 8.975 -0.819 1.00 10.00 C ATOM 1095 O TRP A 71 6.723 9.220 -0.803 1.00 50.00 O ATOM 1096 CB TRP A 71 8.503 7.272 0.920 1.00 50.00 C ATOM 1097 CG TRP A 71 8.542 5.808 1.245 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.484 5.164 1.990 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.598 4.811 0.839 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.188 3.826 2.073 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.032 3.584 1.373 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.425 4.836 0.074 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.343 2.399 1.170 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.734 3.648 -0.130 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.180 2.464 0.402 1.00 50.00 C ATOM 0 H TRP A 71 10.518 7.273 -0.524 1.00 10.00 H new ATOM 0 HA TRP A 71 7.747 6.862 -1.049 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.387 7.753 1.338 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.636 7.721 1.405 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.339 5.638 2.449 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.737 3.126 2.573 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.064 5.762 -0.350 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.691 1.466 1.588 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.828 3.656 -0.719 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.617 1.560 0.222 1.00 50.00 H new ATOM 1116 N GLU A 72 8.854 9.904 -1.037 1.00 10.00 N ATOM 1117 CA GLU A 72 8.496 11.286 -1.339 1.00 10.00 C ATOM 1118 C GLU A 72 7.519 11.359 -2.505 1.00 10.00 C ATOM 1119 O GLU A 72 6.583 12.158 -2.494 1.00 50.00 O ATOM 1120 CB GLU A 72 9.748 12.108 -1.651 1.00 50.00 C ATOM 1121 CG GLU A 72 9.480 13.579 -1.933 1.00 50.00 C ATOM 1122 CD GLU A 72 10.759 14.332 -2.173 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.804 13.730 -2.097 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.689 15.480 -2.544 1.00 75.00 O ATOM 0 H GLU A 72 9.858 9.725 -1.010 1.00 10.00 H new ATOM 0 HA GLU A 72 8.008 11.704 -0.458 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.437 12.032 -0.810 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.249 11.671 -2.514 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.832 13.672 -2.804 1.00 50.00 H new ATOM 0 HG3 GLU A 72 8.948 14.022 -1.091 1.00 50.00 H new ATOM 1131 N THR A 73 7.741 10.522 -3.512 1.00 10.00 N ATOM 1132 CA THR A 73 6.835 10.431 -4.650 1.00 10.00 C ATOM 1133 C THR A 73 5.701 9.453 -4.375 1.00 10.00 C ATOM 1134 O THR A 73 4.528 9.778 -4.562 1.00 50.00 O ATOM 1135 CB THR A 73 7.574 9.997 -5.929 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.580 10.965 -6.255 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.600 9.872 -7.091 1.00 50.00 C ATOM 0 H THR A 73 8.544 9.895 -3.563 1.00 10.00 H new ATOM 0 HA THR A 73 6.422 11.428 -4.801 1.00 10.00 H new ATOM 0 HB THR A 73 8.038 9.027 -5.751 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.051 10.687 -7.068 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.140 9.564 -7.987 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.841 9.127 -6.851 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.120 10.835 -7.269 1.00 50.00 H new ATOM 1145 N VAL A 74 6.056 8.253 -3.927 1.00 10.00 N ATOM 1146 CA VAL A 74 5.127 7.130 -3.924 1.00 10.00 C ATOM 1147 C VAL A 74 4.012 7.339 -2.909 1.00 10.00 C ATOM 1148 O VAL A 74 2.831 7.208 -3.231 1.00 50.00 O ATOM 1149 CB VAL A 74 5.846 5.802 -3.618 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.835 4.680 -3.428 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.823 5.455 -4.731 1.00 50.00 C ATOM 0 H VAL A 74 6.982 8.034 -3.561 1.00 10.00 H new ATOM 0 HA VAL A 74 4.697 7.077 -4.924 1.00 10.00 H new ATOM 0 HB VAL A 74 6.408 5.921 -2.692 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.360 3.750 -3.213 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.173 4.924 -2.597 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.247 4.562 -4.338 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.321 4.514 -4.497 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.282 5.355 -5.672 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.567 6.247 -4.822 1.00 50.00 H new ATOM 1161 N LEU A 75 4.394 7.665 -1.678 1.00 10.00 N ATOM 1162 CA LEU A 75 3.496 7.531 -0.537 1.00 10.00 C ATOM 1163 C LEU A 75 2.302 8.468 -0.661 1.00 50.00 C ATOM 1164 O LEU A 75 1.161 8.067 -0.434 1.00 50.00 O ATOM 1165 CB LEU A 75 4.255 7.802 0.767 1.00 50.00 C ATOM 1166 CG LEU A 75 3.458 7.539 2.052 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.032 6.078 2.111 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.309 7.902 3.260 1.00 50.00 C ATOM 0 H LEU A 75 5.320 8.024 -1.445 1.00 10.00 H new ATOM 0 HA LEU A 75 3.118 6.509 -0.522 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.152 7.184 0.782 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.584 8.841 0.768 1.00 50.00 H new ATOM 0 HG LEU A 75 2.560 8.157 2.057 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.467 5.900 3.026 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.408 5.846 1.248 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.916 5.441 2.101 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.743 7.715 4.173 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.214 7.294 3.263 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.580 8.957 3.210 1.00 50.00 H new ATOM 1180 N PRO A 76 2.572 9.717 -1.024 1.00 50.00 N ATOM 1181 CA PRO A 76 1.514 10.691 -1.261 1.00 50.00 C ATOM 1182 C PRO A 76 0.447 10.129 -2.191 1.00 50.00 C ATOM 1183 O PRO A 76 -0.749 10.308 -1.959 1.00 50.00 O ATOM 1184 CB PRO A 76 2.242 11.891 -1.877 1.00 50.00 C ATOM 1185 CG PRO A 76 3.617 11.824 -1.308 1.00 50.00 C ATOM 1186 CD PRO A 76 3.948 10.357 -1.240 1.00 50.00 C ATOM 0 HA PRO A 76 0.979 10.963 -0.351 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.259 11.829 -2.965 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.751 12.829 -1.619 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.329 12.359 -1.936 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.656 12.282 -0.320 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.420 10.004 -2.157 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.633 10.133 -0.422 1.00 50.00 H new ATOM 1194 N LYS A 77 0.886 9.449 -3.245 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.032 8.864 -4.214 1.00 50.00 C ATOM 1196 C LYS A 77 -0.831 7.723 -3.599 1.00 50.00 C ATOM 1197 O LYS A 77 -2.044 7.632 -3.784 1.00 50.00 O ATOM 1198 CB LYS A 77 0.734 8.366 -5.443 1.00 50.00 C ATOM 1199 CG LYS A 77 1.333 9.472 -6.301 1.00 50.00 C ATOM 1200 CD LYS A 77 2.075 8.901 -7.500 1.00 50.00 C ATOM 1201 CE LYS A 77 2.715 10.003 -8.332 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.452 9.458 -9.503 1.00 50.00 N ATOM 0 H LYS A 77 1.873 9.290 -3.449 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.731 9.642 -4.522 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.535 7.704 -5.113 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.061 7.769 -6.059 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.541 10.138 -6.644 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.016 10.072 -5.700 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.844 8.208 -7.158 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.384 8.330 -8.120 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.944 10.692 -8.677 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.399 10.578 -7.708 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.873 10.241 -10.043 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.205 8.821 -9.173 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.794 8.931 -10.112 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.144 6.854 -2.866 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.796 5.745 -2.181 1.00 50.00 C ATOM 1218 C VAL A 78 -1.898 6.239 -1.255 1.00 50.00 C ATOM 1219 O VAL A 78 -3.023 5.740 -1.288 1.00 50.00 O ATOM 1220 CB VAL A 78 0.213 4.912 -1.366 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.513 3.869 -0.529 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.222 4.245 -2.288 1.00 50.00 C ATOM 0 H VAL A 78 0.866 6.897 -2.731 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.234 5.113 -2.954 1.00 50.00 H new ATOM 0 HB VAL A 78 0.750 5.582 -0.695 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.214 3.289 0.040 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.199 4.366 0.157 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.075 3.203 -1.184 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.926 3.661 -1.695 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.700 3.587 -2.983 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.764 5.008 -2.847 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.569 7.225 -0.425 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.550 7.845 0.456 1.00 50.00 C ATOM 1234 C GLU A 79 -3.737 8.382 -0.333 1.00 50.00 C ATOM 1235 O GLU A 79 -4.889 8.217 0.070 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.906 8.969 1.268 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.845 9.650 2.254 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.133 10.717 3.037 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.956 10.892 2.834 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.788 11.432 3.761 1.00 50.00 O ATOM 0 H GLU A 79 -0.628 7.611 -0.345 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.915 7.079 1.140 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.055 8.564 1.816 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.514 9.719 0.581 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.685 10.090 1.716 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.258 8.908 2.938 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.450 9.028 -1.457 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.493 9.581 -2.312 1.00 50.00 C ATOM 1249 C ALA A 80 -5.471 8.500 -2.757 1.00 50.00 C ATOM 1250 O ALA A 80 -6.678 8.732 -2.828 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.878 10.273 -3.520 1.00 50.00 C ATOM 0 H ALA A 80 -2.501 9.182 -1.798 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.049 10.318 -1.732 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.670 10.680 -4.148 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.229 11.082 -3.185 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.294 9.553 -4.094 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.943 7.319 -3.055 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.753 6.229 -3.587 1.00 50.00 C ATOM 1259 C VAL A 81 -6.954 5.949 -2.691 1.00 50.00 C ATOM 1260 O VAL A 81 -8.090 5.886 -3.162 1.00 50.00 O ATOM 1261 CB VAL A 81 -4.930 4.936 -3.744 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.844 3.755 -4.035 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -3.898 5.094 -4.848 1.00 50.00 C ATOM 0 H VAL A 81 -3.956 7.091 -2.937 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.101 6.547 -4.570 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.407 4.744 -2.807 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.246 2.850 -4.143 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.548 3.629 -3.213 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.394 3.939 -4.958 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.325 4.172 -4.946 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.403 5.309 -5.790 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.224 5.915 -4.602 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.696 5.780 -1.398 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.758 5.530 -0.431 1.00 50.00 C ATOM 1275 C PHE A 82 -8.688 6.728 -0.312 1.00 50.00 C ATOM 1276 O PHE A 82 -9.885 6.575 -0.072 1.00 50.00 O ATOM 1277 CB PHE A 82 -7.163 5.187 0.935 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.337 3.932 0.940 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.928 2.696 1.155 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.968 3.985 0.728 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -6.170 1.542 1.161 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -4.207 2.831 0.731 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.808 1.609 0.948 1.00 50.00 C ATOM 0 H PHE A 82 -5.759 5.812 -0.996 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.343 4.682 -0.787 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.544 6.019 1.270 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.973 5.081 1.657 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.994 2.635 1.320 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.491 4.939 0.559 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.643 0.586 1.332 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -3.142 2.886 0.563 1.00 50.00 H new ATOM 0 HZ PHE A 82 -4.214 0.707 0.951 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.132 7.923 -0.482 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.913 9.152 -0.394 1.00 50.00 C ATOM 1295 C GLU A 83 -9.890 9.267 -1.558 1.00 50.00 C ATOM 1296 O GLU A 83 -10.919 9.934 -1.452 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.991 10.372 -0.360 1.00 50.00 C ATOM 1298 CG GLU A 83 -8.710 11.699 -0.164 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.733 12.835 -0.038 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.553 12.590 -0.099 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -8.168 13.962 0.005 1.00 75.00 O ATOM 0 H GLU A 83 -7.142 8.067 -0.682 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.487 9.117 0.532 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.267 10.243 0.445 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -7.428 10.412 -1.292 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -9.377 11.882 -1.006 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -9.332 11.650 0.730 1.00 50.00 H new