USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 728 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 37 CYS SG : rot -128:sc= -8.45! USER MOD Set 1.2: A 47 CYS SG : rot -96:sc= -12.5! USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -6.5! C(o=-22!,f=-18!) USER MOD Set 2.2: A 32 TYR OH : rot 10:sc= 0.175 USER MOD Set 2.3: A 103 ASN : amide:sc= -11.2! C(o=-18!,f=-21!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 130:sc= -2.47! USER MOD Single : A 8 THR OG1 : rot -139:sc= -5.46! USER MOD Single : A 10 SER OG : rot -140:sc= -0.355 USER MOD Single : A 11 SER OG : rot -7:sc= 0.971 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc=-0.000104 USER MOD Single : A 36 GLN :FLIP amide:sc= -20.3! C(o=-24!,f=-20!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -9.42! C(o=-10!,f=-9.4!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -15:sc= 0.622! USER MOD Single : A 65 THR OG1 : rot 55:sc= -0.725 USER MOD Single : A 66 SER OG : rot -53:sc= 0.275 USER MOD Single : A 68 THR OG1 : rot 149:sc= -0.616 USER MOD Single : A 72 SER OG : rot 43:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.617 12.885 -7.099 1.00 0.00 N ATOM 2 CA ALA A 1 1.862 13.424 -6.589 1.00 0.00 C ATOM 3 C ALA A 1 2.360 12.567 -5.435 1.00 0.00 C ATOM 4 O ALA A 1 1.860 12.675 -4.317 1.00 0.00 O ATOM 5 CB ALA A 1 1.644 14.866 -6.138 1.00 0.00 C ATOM 0 H1 ALA A 1 0.281 13.474 -7.887 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.771 11.913 -7.434 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.096 12.881 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 1 2.617 13.413 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.580 15.273 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.308 15.465 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.888 14.891 -5.353 1.00 0.00 H new ATOM 11 N ALA A 2 3.349 11.712 -5.707 1.00 0.00 N ATOM 12 CA ALA A 2 3.908 10.841 -4.693 1.00 0.00 C ATOM 13 C ALA A 2 5.197 11.442 -4.151 1.00 0.00 C ATOM 14 O ALA A 2 6.109 11.753 -4.914 1.00 0.00 O ATOM 15 CB ALA A 2 4.165 9.462 -5.294 1.00 0.00 C ATOM 0 H ALA A 2 3.775 11.611 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 2 3.204 10.738 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.586 8.806 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.227 9.042 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.867 9.552 -6.123 1.00 0.00 H new ATOM 21 N PRO A 3 5.271 11.606 -2.828 1.00 0.00 N ATOM 22 CA PRO A 3 6.416 12.159 -2.137 1.00 0.00 C ATOM 23 C PRO A 3 7.555 11.149 -2.147 1.00 0.00 C ATOM 24 O PRO A 3 7.454 10.103 -2.784 1.00 0.00 O ATOM 25 CB PRO A 3 5.927 12.418 -0.714 1.00 0.00 C ATOM 26 CG PRO A 3 4.863 11.338 -0.520 1.00 0.00 C ATOM 27 CD PRO A 3 4.218 11.251 -1.901 1.00 0.00 C ATOM 0 HA PRO A 3 6.794 13.069 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.733 12.327 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.511 13.420 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.302 10.387 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.140 11.615 0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.840 10.248 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.371 11.933 -1.985 1.00 0.00 H new ATOM 35 N THR A 4 8.643 11.466 -1.441 1.00 0.00 N ATOM 36 CA THR A 4 9.791 10.585 -1.376 1.00 0.00 C ATOM 37 C THR A 4 9.723 9.736 -0.114 1.00 0.00 C ATOM 38 O THR A 4 9.879 10.250 0.992 1.00 0.00 O ATOM 39 CB THR A 4 11.071 11.416 -1.400 1.00 0.00 C ATOM 40 OG1 THR A 4 11.414 11.711 -2.736 1.00 0.00 O ATOM 41 CG2 THR A 4 12.202 10.628 -0.746 1.00 0.00 C ATOM 0 H THR A 4 8.744 12.330 -0.908 1.00 0.00 H new ATOM 0 HA THR A 4 9.789 9.918 -2.238 1.00 0.00 H new ATOM 0 HB THR A 4 10.912 12.345 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.235 12.246 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.116 11.221 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.937 10.400 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.362 9.699 -1.293 1.00 0.00 H new ATOM 49 N ALA A 5 9.491 8.433 -0.282 1.00 0.00 N ATOM 50 CA ALA A 5 9.403 7.520 0.840 1.00 0.00 C ATOM 51 C ALA A 5 10.321 6.329 0.609 1.00 0.00 C ATOM 52 O ALA A 5 10.407 5.815 -0.504 1.00 0.00 O ATOM 53 CB ALA A 5 7.957 7.064 1.011 1.00 0.00 C ATOM 0 H ALA A 5 9.361 7.992 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 5 9.721 8.026 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.889 6.377 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.322 7.930 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.625 6.558 0.104 1.00 0.00 H new ATOM 59 N THR A 6 11.010 5.890 1.665 1.00 0.00 N ATOM 60 CA THR A 6 11.916 4.763 1.568 1.00 0.00 C ATOM 61 C THR A 6 11.238 3.505 2.092 1.00 0.00 C ATOM 62 O THR A 6 10.961 3.397 3.285 1.00 0.00 O ATOM 63 CB THR A 6 13.186 5.062 2.359 1.00 0.00 C ATOM 64 OG1 THR A 6 12.855 5.790 3.521 1.00 0.00 O ATOM 65 CG2 THR A 6 14.140 5.885 1.498 1.00 0.00 C ATOM 0 H THR A 6 10.952 6.305 2.595 1.00 0.00 H new ATOM 0 HA THR A 6 12.183 4.598 0.524 1.00 0.00 H new ATOM 0 HB THR A 6 13.667 4.126 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.271 5.367 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.047 6.099 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.396 5.323 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.659 6.822 1.216 1.00 0.00 H new ATOM 73 N VAL A 7 10.970 2.553 1.196 1.00 0.00 N ATOM 74 CA VAL A 7 10.326 1.310 1.571 1.00 0.00 C ATOM 75 C VAL A 7 11.319 0.162 1.455 1.00 0.00 C ATOM 76 O VAL A 7 12.257 0.227 0.663 1.00 0.00 O ATOM 77 CB VAL A 7 9.117 1.072 0.671 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.533 2.414 0.239 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.548 0.284 -0.563 1.00 0.00 C ATOM 0 H VAL A 7 11.193 2.628 0.204 1.00 0.00 H new ATOM 0 HA VAL A 7 9.986 1.369 2.605 1.00 0.00 H new ATOM 0 HB VAL A 7 8.363 0.506 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.669 2.245 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.225 2.977 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.287 2.980 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.684 0.114 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.302 0.849 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.965 -0.675 -0.255 1.00 0.00 H new ATOM 89 N THR A 8 11.111 -0.893 2.247 1.00 0.00 N ATOM 90 CA THR A 8 11.988 -2.046 2.224 1.00 0.00 C ATOM 91 C THR A 8 11.837 -2.787 0.904 1.00 0.00 C ATOM 92 O THR A 8 10.980 -2.447 0.092 1.00 0.00 O ATOM 93 CB THR A 8 11.654 -2.961 3.399 1.00 0.00 C ATOM 94 OG1 THR A 8 12.846 -3.471 3.952 1.00 0.00 O ATOM 95 CG2 THR A 8 10.784 -4.117 2.912 1.00 0.00 C ATOM 0 H THR A 8 10.339 -0.964 2.910 1.00 0.00 H new ATOM 0 HA THR A 8 13.024 -1.720 2.316 1.00 0.00 H new ATOM 0 HB THR A 8 11.115 -2.395 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.724 -4.417 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.545 -4.771 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.862 -3.723 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.323 -4.683 2.153 1.00 0.00 H new ATOM 103 N PRO A 9 12.675 -3.804 0.691 1.00 0.00 N ATOM 104 CA PRO A 9 12.678 -4.623 -0.503 1.00 0.00 C ATOM 105 C PRO A 9 11.460 -5.535 -0.500 1.00 0.00 C ATOM 106 O PRO A 9 11.302 -6.360 0.397 1.00 0.00 O ATOM 107 CB PRO A 9 13.969 -5.434 -0.418 1.00 0.00 C ATOM 108 CG PRO A 9 14.181 -5.577 1.088 1.00 0.00 C ATOM 109 CD PRO A 9 13.696 -4.231 1.623 1.00 0.00 C ATOM 0 HA PRO A 9 12.633 -4.036 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.870 -6.403 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.802 -4.919 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.608 -6.407 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.227 -5.758 1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.294 -4.329 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.511 -3.509 1.673 1.00 0.00 H new ATOM 117 N SER A 10 10.596 -5.382 -1.506 1.00 0.00 N ATOM 118 CA SER A 10 9.398 -6.191 -1.613 1.00 0.00 C ATOM 119 C SER A 10 9.507 -7.121 -2.813 1.00 0.00 C ATOM 120 O SER A 10 8.588 -7.202 -3.624 1.00 0.00 O ATOM 121 CB SER A 10 8.180 -5.280 -1.744 1.00 0.00 C ATOM 122 OG SER A 10 8.281 -4.530 -2.933 1.00 0.00 O ATOM 0 H SER A 10 10.712 -4.701 -2.256 1.00 0.00 H new ATOM 0 HA SER A 10 9.286 -6.800 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.267 -5.875 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.117 -4.613 -0.884 1.00 0.00 H new ATOM 0 HG SER A 10 7.974 -3.614 -2.769 1.00 0.00 H new ATOM 128 N SER A 11 10.636 -7.825 -2.923 1.00 0.00 N ATOM 129 CA SER A 11 10.858 -8.745 -4.020 1.00 0.00 C ATOM 130 C SER A 11 11.259 -10.110 -3.477 1.00 0.00 C ATOM 131 O SER A 11 12.380 -10.289 -3.008 1.00 0.00 O ATOM 132 CB SER A 11 11.943 -8.189 -4.938 1.00 0.00 C ATOM 133 OG SER A 11 13.205 -8.365 -4.334 1.00 0.00 O ATOM 0 H SER A 11 11.408 -7.769 -2.259 1.00 0.00 H new ATOM 0 HA SER A 11 9.938 -8.860 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.915 -8.698 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.764 -7.131 -5.131 1.00 0.00 H new ATOM 0 HG SER A 11 13.087 -8.706 -3.423 1.00 0.00 H new ATOM 139 N GLY A 12 10.338 -11.074 -3.542 1.00 0.00 N ATOM 140 CA GLY A 12 10.604 -12.414 -3.057 1.00 0.00 C ATOM 141 C GLY A 12 10.210 -12.533 -1.591 1.00 0.00 C ATOM 142 O GLY A 12 10.773 -13.342 -0.858 1.00 0.00 O ATOM 0 H GLY A 12 9.403 -10.943 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.048 -13.140 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.662 -12.648 -3.177 1.00 0.00 H new ATOM 146 N LEU A 13 9.239 -11.721 -1.166 1.00 0.00 N ATOM 147 CA LEU A 13 8.774 -11.738 0.207 1.00 0.00 C ATOM 148 C LEU A 13 7.474 -12.524 0.303 1.00 0.00 C ATOM 149 O LEU A 13 6.558 -12.311 -0.488 1.00 0.00 O ATOM 150 CB LEU A 13 8.577 -10.305 0.694 1.00 0.00 C ATOM 151 CG LEU A 13 9.697 -9.424 0.149 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.986 -8.298 1.137 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.955 -10.264 -0.048 1.00 0.00 C ATOM 0 H LEU A 13 8.763 -11.044 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 13 9.516 -12.225 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.609 -9.927 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.575 -10.277 1.784 1.00 0.00 H new ATOM 0 HG LEU A 13 9.391 -8.998 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.786 -7.669 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.087 -7.697 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.291 -8.723 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.755 -9.635 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.261 -10.691 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.749 -11.068 -0.755 1.00 0.00 H new ATOM 165 N SER A 14 7.396 -13.434 1.276 1.00 0.00 N ATOM 166 CA SER A 14 6.210 -14.244 1.470 1.00 0.00 C ATOM 167 C SER A 14 5.491 -13.811 2.740 1.00 0.00 C ATOM 168 O SER A 14 6.008 -12.997 3.502 1.00 0.00 O ATOM 169 CB SER A 14 6.607 -15.715 1.548 1.00 0.00 C ATOM 170 OG SER A 14 7.470 -16.026 0.478 1.00 0.00 O ATOM 0 H SER A 14 8.147 -13.623 1.940 1.00 0.00 H new ATOM 0 HA SER A 14 5.531 -14.109 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.100 -15.920 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.719 -16.345 1.508 1.00 0.00 H new ATOM 0 HG SER A 14 7.727 -16.970 0.529 1.00 0.00 H new ATOM 176 N ASP A 15 4.295 -14.359 2.967 1.00 0.00 N ATOM 177 CA ASP A 15 3.513 -14.028 4.141 1.00 0.00 C ATOM 178 C ASP A 15 4.398 -14.072 5.379 1.00 0.00 C ATOM 179 O ASP A 15 5.262 -14.938 5.495 1.00 0.00 O ATOM 180 CB ASP A 15 2.352 -15.010 4.271 1.00 0.00 C ATOM 181 CG ASP A 15 1.721 -14.926 5.653 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.178 -13.844 5.965 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.792 -15.946 6.373 1.00 0.00 O ATOM 0 H ASP A 15 3.853 -15.036 2.345 1.00 0.00 H new ATOM 0 HA ASP A 15 3.110 -13.020 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.601 -14.794 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.707 -16.025 4.090 1.00 0.00 H new ATOM 188 N GLY A 16 4.181 -13.136 6.305 1.00 0.00 N ATOM 189 CA GLY A 16 4.961 -13.077 7.525 1.00 0.00 C ATOM 190 C GLY A 16 5.993 -11.961 7.438 1.00 0.00 C ATOM 191 O GLY A 16 6.464 -11.467 8.460 1.00 0.00 O ATOM 0 H GLY A 16 3.468 -12.411 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.303 -12.908 8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.460 -14.031 7.692 1.00 0.00 H new ATOM 195 N THR A 17 6.344 -11.564 6.213 1.00 0.00 N ATOM 196 CA THR A 17 7.316 -10.510 6.003 1.00 0.00 C ATOM 197 C THR A 17 6.677 -9.155 6.270 1.00 0.00 C ATOM 198 O THR A 17 5.478 -8.980 6.067 1.00 0.00 O ATOM 199 CB THR A 17 7.847 -10.586 4.575 1.00 0.00 C ATOM 200 OG1 THR A 17 8.305 -11.893 4.312 1.00 0.00 O ATOM 201 CG2 THR A 17 8.999 -9.599 4.407 1.00 0.00 C ATOM 0 H THR A 17 5.964 -11.963 5.355 1.00 0.00 H new ATOM 0 HA THR A 17 8.149 -10.637 6.694 1.00 0.00 H new ATOM 0 HB THR A 17 7.049 -10.334 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.562 -12.440 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.379 -9.653 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.645 -8.588 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.798 -9.850 5.105 1.00 0.00 H new ATOM 209 N VAL A 18 7.484 -8.194 6.728 1.00 0.00 N ATOM 210 CA VAL A 18 6.996 -6.862 7.020 1.00 0.00 C ATOM 211 C VAL A 18 7.756 -5.841 6.185 1.00 0.00 C ATOM 212 O VAL A 18 8.959 -5.663 6.363 1.00 0.00 O ATOM 213 CB VAL A 18 7.164 -6.575 8.510 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.649 -6.512 8.852 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.507 -5.239 8.847 1.00 0.00 C ATOM 0 H VAL A 18 8.481 -8.324 6.902 1.00 0.00 H new ATOM 0 HA VAL A 18 5.938 -6.794 6.767 1.00 0.00 H new ATOM 0 HB VAL A 18 6.692 -7.369 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.769 -6.307 9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.119 -7.466 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.122 -5.718 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.626 -5.033 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.979 -4.445 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.446 -5.284 8.603 1.00 0.00 H new ATOM 225 N VAL A 19 7.050 -5.170 5.272 1.00 0.00 N ATOM 226 CA VAL A 19 7.660 -4.172 4.416 1.00 0.00 C ATOM 227 C VAL A 19 7.784 -2.855 5.169 1.00 0.00 C ATOM 228 O VAL A 19 7.007 -2.583 6.081 1.00 0.00 O ATOM 229 CB VAL A 19 6.815 -3.998 3.158 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.593 -3.180 2.131 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.486 -5.369 2.573 1.00 0.00 C ATOM 0 H VAL A 19 6.052 -5.307 5.113 1.00 0.00 H new ATOM 0 HA VAL A 19 8.659 -4.497 4.125 1.00 0.00 H new ATOM 0 HB VAL A 19 5.890 -3.479 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.989 -3.056 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.828 -2.201 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.518 -3.698 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.882 -5.246 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.411 -5.888 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.930 -5.953 3.306 1.00 0.00 H new ATOM 241 N LYS A 20 8.765 -2.035 4.784 1.00 0.00 N ATOM 242 CA LYS A 20 8.984 -0.754 5.423 1.00 0.00 C ATOM 243 C LYS A 20 8.603 0.372 4.472 1.00 0.00 C ATOM 244 O LYS A 20 8.761 0.243 3.260 1.00 0.00 O ATOM 245 CB LYS A 20 10.447 -0.637 5.840 1.00 0.00 C ATOM 246 CG LYS A 20 10.537 0.066 7.191 1.00 0.00 C ATOM 247 CD LYS A 20 10.638 1.574 6.975 1.00 0.00 C ATOM 248 CE LYS A 20 11.791 2.131 7.805 1.00 0.00 C ATOM 249 NZ LYS A 20 11.292 2.959 8.913 1.00 0.00 N ATOM 0 H LYS A 20 9.418 -2.245 4.029 1.00 0.00 H new ATOM 0 HA LYS A 20 8.359 -0.677 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.899 -1.627 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.006 -0.078 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.659 -0.168 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.407 -0.292 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.798 1.791 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.703 2.057 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.389 1.310 8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.447 2.725 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.096 3.326 9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.742 3.755 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.685 2.383 9.531 1.00 0.00 H new ATOM 263 N VAL A 21 8.101 1.478 5.025 1.00 0.00 N ATOM 264 CA VAL A 21 7.701 2.619 4.226 1.00 0.00 C ATOM 265 C VAL A 21 7.945 3.904 5.004 1.00 0.00 C ATOM 266 O VAL A 21 7.267 4.170 5.994 1.00 0.00 O ATOM 267 CB VAL A 21 6.228 2.485 3.851 1.00 0.00 C ATOM 268 CG1 VAL A 21 6.104 2.249 2.348 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.617 1.305 4.603 1.00 0.00 C ATOM 0 H VAL A 21 7.965 1.600 6.028 1.00 0.00 H new ATOM 0 HA VAL A 21 8.293 2.653 3.312 1.00 0.00 H new ATOM 0 HB VAL A 21 5.700 3.400 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.052 2.153 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.540 3.091 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.632 1.334 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.565 1.209 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.145 0.390 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.705 1.473 5.676 1.00 0.00 H new ATOM 279 N ALA A 22 8.916 4.701 4.554 1.00 0.00 N ATOM 280 CA ALA A 22 9.245 5.951 5.210 1.00 0.00 C ATOM 281 C ALA A 22 9.052 7.108 4.240 1.00 0.00 C ATOM 282 O ALA A 22 9.729 7.183 3.217 1.00 0.00 O ATOM 283 CB ALA A 22 10.685 5.899 5.710 1.00 0.00 C ATOM 0 H ALA A 22 9.486 4.495 3.734 1.00 0.00 H new ATOM 0 HA ALA A 22 8.584 6.104 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.933 6.839 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.795 5.077 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.358 5.744 4.867 1.00 0.00 H new ATOM 289 N GLY A 23 8.124 8.012 4.562 1.00 0.00 N ATOM 290 CA GLY A 23 7.850 9.156 3.715 1.00 0.00 C ATOM 291 C GLY A 23 8.863 10.262 3.980 1.00 0.00 C ATOM 292 O GLY A 23 9.298 10.450 5.114 1.00 0.00 O ATOM 0 H GLY A 23 7.553 7.966 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.890 8.860 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.841 9.524 3.904 1.00 0.00 H new ATOM 296 N ALA A 24 9.237 10.994 2.928 1.00 0.00 N ATOM 297 CA ALA A 24 10.195 12.074 3.051 1.00 0.00 C ATOM 298 C ALA A 24 9.813 13.211 2.113 1.00 0.00 C ATOM 299 O ALA A 24 10.053 13.133 0.910 1.00 0.00 O ATOM 300 CB ALA A 24 11.592 11.552 2.727 1.00 0.00 C ATOM 0 H ALA A 24 8.884 10.851 1.982 1.00 0.00 H new ATOM 0 HA ALA A 24 10.191 12.455 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.314 12.363 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.852 10.754 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.609 11.165 1.708 1.00 0.00 H new ATOM 306 N GLY A 25 9.217 14.269 2.666 1.00 0.00 N ATOM 307 CA GLY A 25 8.807 15.412 1.874 1.00 0.00 C ATOM 308 C GLY A 25 7.289 15.462 1.767 1.00 0.00 C ATOM 309 O GLY A 25 6.748 16.138 0.895 1.00 0.00 O ATOM 0 H GLY A 25 9.011 14.350 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.177 16.331 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.247 15.350 0.879 1.00 0.00 H new ATOM 313 N LEU A 26 6.602 14.742 2.657 1.00 0.00 N ATOM 314 CA LEU A 26 5.154 14.707 2.659 1.00 0.00 C ATOM 315 C LEU A 26 4.611 15.813 3.552 1.00 0.00 C ATOM 316 O LEU A 26 5.370 16.469 4.263 1.00 0.00 O ATOM 317 CB LEU A 26 4.679 13.340 3.143 1.00 0.00 C ATOM 318 CG LEU A 26 5.811 12.327 2.996 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.226 10.920 2.902 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.606 12.634 1.730 1.00 0.00 C ATOM 0 H LEU A 26 7.036 14.176 3.386 1.00 0.00 H new ATOM 0 HA LEU A 26 4.782 14.869 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.364 13.400 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.812 13.019 2.566 1.00 0.00 H new ATOM 0 HG LEU A 26 6.469 12.389 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.034 10.196 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.658 10.701 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.568 10.857 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.415 11.911 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.948 12.572 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.024 13.639 1.797 1.00 0.00 H new ATOM 332 N GLN A 27 3.293 16.020 3.515 1.00 0.00 N ATOM 333 CA GLN A 27 2.658 17.044 4.319 1.00 0.00 C ATOM 334 C GLN A 27 2.978 16.819 5.790 1.00 0.00 C ATOM 335 O GLN A 27 2.678 15.760 6.338 1.00 0.00 O ATOM 336 CB GLN A 27 1.150 17.012 4.083 1.00 0.00 C ATOM 337 CG GLN A 27 0.843 17.538 2.684 1.00 0.00 C ATOM 338 CD GLN A 27 -0.595 17.228 2.291 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.937 15.939 2.241 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -1.381 18.138 2.039 1.00 0.00 N flip ATOM 0 H GLN A 27 2.650 15.485 2.931 1.00 0.00 H new ATOM 0 HA GLN A 27 3.038 18.024 4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.776 15.994 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.641 17.619 4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.009 18.615 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.526 17.088 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.071 19.108 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.343 17.923 1.778 1.00 0.00 H new ATOM 349 N ALA A 28 3.588 17.820 6.430 1.00 0.00 N ATOM 350 CA ALA A 28 3.945 17.727 7.831 1.00 0.00 C ATOM 351 C ALA A 28 2.695 17.844 8.691 1.00 0.00 C ATOM 352 O ALA A 28 1.883 18.744 8.489 1.00 0.00 O ATOM 353 CB ALA A 28 4.943 18.828 8.175 1.00 0.00 C ATOM 0 H ALA A 28 3.842 18.704 5.990 1.00 0.00 H new ATOM 0 HA ALA A 28 4.408 16.760 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.212 18.759 9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.838 18.712 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.493 19.801 7.979 1.00 0.00 H new ATOM 359 N GLY A 29 2.540 16.931 9.653 1.00 0.00 N ATOM 360 CA GLY A 29 1.389 16.941 10.534 1.00 0.00 C ATOM 361 C GLY A 29 0.169 16.384 9.814 1.00 0.00 C ATOM 362 O GLY A 29 -0.942 16.438 10.337 1.00 0.00 O ATOM 0 H GLY A 29 3.203 16.178 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.598 16.347 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.189 17.958 10.870 1.00 0.00 H new ATOM 366 N THR A 30 0.377 15.848 8.609 1.00 0.00 N ATOM 367 CA THR A 30 -0.706 15.285 7.828 1.00 0.00 C ATOM 368 C THR A 30 -0.771 13.780 8.040 1.00 0.00 C ATOM 369 O THR A 30 0.257 13.106 8.047 1.00 0.00 O ATOM 370 CB THR A 30 -0.493 15.615 6.354 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.428 16.590 5.951 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.683 14.353 5.517 1.00 0.00 C ATOM 0 H THR A 30 1.291 15.796 8.160 1.00 0.00 H new ATOM 0 HA THR A 30 -1.653 15.716 8.151 1.00 0.00 H new ATOM 0 HB THR A 30 0.517 15.998 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.399 16.688 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.531 14.589 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.039 13.598 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.693 13.970 5.661 1.00 0.00 H new ATOM 380 N ALA A 31 -1.985 13.252 8.213 1.00 0.00 N ATOM 381 CA ALA A 31 -2.178 11.832 8.425 1.00 0.00 C ATOM 382 C ALA A 31 -2.181 11.107 7.086 1.00 0.00 C ATOM 383 O ALA A 31 -2.539 11.689 6.064 1.00 0.00 O ATOM 384 CB ALA A 31 -3.492 11.604 9.166 1.00 0.00 C ATOM 0 H ALA A 31 -2.847 13.797 8.209 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.362 11.435 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.639 10.536 9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.460 12.114 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.317 11.999 8.573 1.00 0.00 H new ATOM 390 N TYR A 32 -1.781 9.834 7.094 1.00 0.00 N ATOM 391 CA TYR A 32 -1.739 9.040 5.882 1.00 0.00 C ATOM 392 C TYR A 32 -2.303 7.653 6.153 1.00 0.00 C ATOM 393 O TYR A 32 -2.137 7.116 7.246 1.00 0.00 O ATOM 394 CB TYR A 32 -0.299 8.951 5.384 1.00 0.00 C ATOM 395 CG TYR A 32 0.225 10.249 4.818 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.437 10.863 3.748 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.372 10.839 5.363 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.048 12.067 3.222 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.857 12.043 4.837 1.00 0.00 C ATOM 400 CZ TYR A 32 1.195 12.656 3.767 1.00 0.00 C ATOM 401 OH TYR A 32 1.667 13.829 3.256 1.00 0.00 O ATOM 0 H TYR A 32 -1.482 9.337 7.933 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.348 9.513 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.343 8.638 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.235 8.178 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.322 10.408 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.883 10.366 6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.463 12.541 2.397 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.742 12.498 5.257 1.00 0.00 H new ATOM 0 HH TYR A 32 1.011 14.201 2.631 1.00 0.00 H new ATOM 411 N ASP A 33 -2.971 7.072 5.154 1.00 0.00 N ATOM 412 CA ASP A 33 -3.555 5.753 5.290 1.00 0.00 C ATOM 413 C ASP A 33 -2.747 4.746 4.484 1.00 0.00 C ATOM 414 O ASP A 33 -2.716 4.813 3.257 1.00 0.00 O ATOM 415 CB ASP A 33 -5.005 5.789 4.814 1.00 0.00 C ATOM 416 CG ASP A 33 -5.448 4.419 4.319 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.561 3.516 5.175 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.666 4.302 3.094 1.00 0.00 O ATOM 0 H ASP A 33 -3.117 7.504 4.241 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.537 5.448 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.652 6.112 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.111 6.521 4.014 1.00 0.00 H new ATOM 423 N VAL A 34 -2.092 3.812 5.177 1.00 0.00 N ATOM 424 CA VAL A 34 -1.289 2.798 4.525 1.00 0.00 C ATOM 425 C VAL A 34 -2.031 1.470 4.531 1.00 0.00 C ATOM 426 O VAL A 34 -2.736 1.155 5.487 1.00 0.00 O ATOM 427 CB VAL A 34 0.052 2.672 5.243 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.160 2.453 4.217 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.331 3.952 6.027 1.00 0.00 C ATOM 0 H VAL A 34 -2.108 3.744 6.195 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.106 3.084 3.489 1.00 0.00 H new ATOM 0 HB VAL A 34 0.019 1.825 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.118 2.363 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.961 1.540 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.194 3.300 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.289 3.863 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.364 4.799 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.460 4.109 6.760 1.00 0.00 H new ATOM 439 N GLY A 35 -1.872 0.688 3.460 1.00 0.00 N ATOM 440 CA GLY A 35 -2.528 -0.600 3.354 1.00 0.00 C ATOM 441 C GLY A 35 -1.992 -1.367 2.154 1.00 0.00 C ATOM 442 O GLY A 35 -1.267 -0.812 1.331 1.00 0.00 O ATOM 0 H GLY A 35 -1.292 0.933 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.364 -1.176 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.604 -0.461 3.254 1.00 0.00 H new ATOM 446 N GLN A 36 -2.350 -2.650 2.056 1.00 0.00 N ATOM 447 CA GLN A 36 -1.904 -3.486 0.960 1.00 0.00 C ATOM 448 C GLN A 36 -3.055 -3.733 -0.005 1.00 0.00 C ATOM 449 O GLN A 36 -3.958 -4.513 0.291 1.00 0.00 O ATOM 450 CB GLN A 36 -1.369 -4.804 1.513 1.00 0.00 C ATOM 451 CG GLN A 36 -1.173 -5.795 0.369 1.00 0.00 C ATOM 452 CD GLN A 36 -0.840 -7.181 0.902 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.364 -7.668 0.592 1.00 0.00 O flip ATOM 454 NE2 GLN A 36 -1.657 -7.799 1.582 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.950 -3.126 2.730 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.104 -2.983 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.424 -4.637 2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.065 -5.212 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.078 -5.842 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.371 -5.450 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.565 -7.383 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.427 -8.727 1.937 1.00 0.00 H new ATOM 463 N CYS A 37 -3.021 -3.066 -1.161 1.00 0.00 N ATOM 464 CA CYS A 37 -4.059 -3.216 -2.161 1.00 0.00 C ATOM 465 C CYS A 37 -3.537 -4.052 -3.322 1.00 0.00 C ATOM 466 O CYS A 37 -2.383 -3.912 -3.720 1.00 0.00 O ATOM 467 CB CYS A 37 -4.502 -1.838 -2.643 1.00 0.00 C ATOM 468 SG CYS A 37 -5.108 -0.757 -1.324 1.00 0.00 S ATOM 0 H CYS A 37 -2.279 -2.416 -1.420 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.918 -3.728 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.663 -1.352 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.288 -1.960 -3.388 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.280 -0.295 -1.646 1.00 0.00 H new ATOM 473 N ALA A 38 -4.392 -4.922 -3.864 1.00 0.00 N ATOM 474 CA ALA A 38 -4.014 -5.775 -4.973 1.00 0.00 C ATOM 475 C ALA A 38 -4.958 -5.545 -6.145 1.00 0.00 C ATOM 476 O ALA A 38 -6.165 -5.415 -5.956 1.00 0.00 O ATOM 477 CB ALA A 38 -4.051 -7.234 -4.527 1.00 0.00 C ATOM 0 H ALA A 38 -5.353 -5.048 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.001 -5.533 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.767 -7.877 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.354 -7.380 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.059 -7.489 -4.200 1.00 0.00 H new ATOM 483 N TRP A 39 -4.405 -5.496 -7.359 1.00 0.00 N ATOM 484 CA TRP A 39 -5.203 -5.284 -8.550 1.00 0.00 C ATOM 485 C TRP A 39 -6.146 -6.460 -8.759 1.00 0.00 C ATOM 486 O TRP A 39 -5.707 -7.606 -8.830 1.00 0.00 O ATOM 487 CB TRP A 39 -4.281 -5.109 -9.754 1.00 0.00 C ATOM 488 CG TRP A 39 -4.841 -5.596 -11.052 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.146 -5.564 -11.400 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.141 -6.191 -12.186 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.300 -6.094 -12.663 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.093 -6.498 -13.196 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.798 -6.503 -12.466 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.735 -7.081 -14.414 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.428 -7.088 -13.685 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.391 -7.378 -14.659 1.00 0.00 C ATOM 0 H TRP A 39 -3.406 -5.601 -7.534 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.803 -4.382 -8.433 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.036 -4.052 -9.855 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.347 -5.636 -9.558 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.946 -5.182 -10.783 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.195 -6.177 -13.144 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.039 -6.288 -11.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.487 -7.300 -15.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.390 -7.317 -13.875 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.097 -7.829 -15.595 1.00 0.00 H new ATOM 507 N VAL A 40 -7.446 -6.173 -8.857 1.00 0.00 N ATOM 508 CA VAL A 40 -8.444 -7.205 -9.057 1.00 0.00 C ATOM 509 C VAL A 40 -8.907 -7.199 -10.506 1.00 0.00 C ATOM 510 O VAL A 40 -8.913 -8.238 -11.162 1.00 0.00 O ATOM 511 CB VAL A 40 -9.618 -6.966 -8.112 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.915 -6.916 -8.914 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.692 -8.102 -7.095 1.00 0.00 C ATOM 0 H VAL A 40 -7.825 -5.228 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.013 -8.182 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.477 -6.020 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.754 -6.745 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.863 -6.105 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.056 -7.862 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.530 -7.932 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.833 -9.049 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.766 -8.138 -6.522 1.00 0.00 H new ATOM 523 N ASP A 41 -9.297 -6.024 -11.005 1.00 0.00 N ATOM 524 CA ASP A 41 -9.760 -5.889 -12.372 1.00 0.00 C ATOM 525 C ASP A 41 -9.081 -4.697 -13.031 1.00 0.00 C ATOM 526 O ASP A 41 -8.445 -3.892 -12.355 1.00 0.00 O ATOM 527 CB ASP A 41 -11.277 -5.721 -12.380 1.00 0.00 C ATOM 528 CG ASP A 41 -11.953 -6.917 -13.034 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.391 -8.026 -12.908 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.020 -6.700 -13.648 1.00 0.00 O ATOM 0 H ASP A 41 -9.298 -5.153 -10.473 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.504 -6.785 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.640 -5.607 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.543 -4.810 -12.916 1.00 0.00 H new ATOM 535 N THR A 42 -9.218 -4.585 -14.354 1.00 0.00 N ATOM 536 CA THR A 42 -8.617 -3.492 -15.091 1.00 0.00 C ATOM 537 C THR A 42 -8.983 -2.165 -14.441 1.00 0.00 C ATOM 538 O THR A 42 -10.143 -1.761 -14.458 1.00 0.00 O ATOM 539 CB THR A 42 -9.095 -3.533 -16.540 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.800 -2.305 -17.167 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.602 -3.772 -16.572 1.00 0.00 C ATOM 0 H THR A 42 -9.742 -5.244 -14.930 1.00 0.00 H new ATOM 0 HA THR A 42 -7.532 -3.593 -15.076 1.00 0.00 H new ATOM 0 HB THR A 42 -8.588 -4.341 -17.067 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.105 -2.331 -18.098 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.944 -3.801 -17.607 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.830 -4.721 -16.087 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.110 -2.964 -16.045 1.00 0.00 H new ATOM 549 N GLY A 43 -7.988 -1.485 -13.866 1.00 0.00 N ATOM 550 CA GLY A 43 -8.213 -0.210 -13.216 1.00 0.00 C ATOM 551 C GLY A 43 -8.976 -0.410 -11.913 1.00 0.00 C ATOM 552 O GLY A 43 -9.394 0.557 -11.281 1.00 0.00 O ATOM 0 H GLY A 43 -7.020 -1.805 -13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.259 0.278 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.775 0.449 -13.877 1.00 0.00 H new ATOM 556 N VAL A 44 -9.155 -1.671 -11.513 1.00 0.00 N ATOM 557 CA VAL A 44 -9.865 -1.992 -10.291 1.00 0.00 C ATOM 558 C VAL A 44 -8.960 -2.793 -9.366 1.00 0.00 C ATOM 559 O VAL A 44 -8.487 -3.866 -9.732 1.00 0.00 O ATOM 560 CB VAL A 44 -11.126 -2.781 -10.629 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.844 -3.170 -9.340 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.050 -1.920 -11.486 1.00 0.00 C ATOM 0 H VAL A 44 -8.813 -2.484 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.153 -1.073 -9.780 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.854 -3.682 -11.179 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.745 -3.734 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.184 -3.785 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.116 -2.270 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.951 -2.483 -11.728 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.322 -1.019 -10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.538 -1.642 -12.407 1.00 0.00 H new ATOM 572 N LEU A 45 -8.719 -2.267 -8.162 1.00 0.00 N ATOM 573 CA LEU A 45 -7.874 -2.933 -7.191 1.00 0.00 C ATOM 574 C LEU A 45 -8.583 -2.998 -5.846 1.00 0.00 C ATOM 575 O LEU A 45 -9.156 -2.008 -5.396 1.00 0.00 O ATOM 576 CB LEU A 45 -6.551 -2.183 -7.069 1.00 0.00 C ATOM 577 CG LEU A 45 -6.639 -1.181 -5.921 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.236 -0.874 -5.404 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.292 0.106 -6.417 1.00 0.00 C ATOM 0 H LEU A 45 -9.103 -1.377 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.670 -3.952 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.737 -2.886 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.327 -1.665 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.238 -1.605 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.299 -0.158 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.770 -1.793 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.636 -0.451 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.355 0.822 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.694 0.530 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.294 -0.113 -6.785 1.00 0.00 H new ATOM 591 N ALA A 46 -8.544 -4.168 -5.205 1.00 0.00 N ATOM 592 CA ALA A 46 -9.183 -4.356 -3.918 1.00 0.00 C ATOM 593 C ALA A 46 -8.178 -4.104 -2.802 1.00 0.00 C ATOM 594 O ALA A 46 -6.976 -4.268 -2.998 1.00 0.00 O ATOM 595 CB ALA A 46 -9.743 -5.773 -3.831 1.00 0.00 C ATOM 0 H ALA A 46 -8.072 -4.998 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.004 -3.648 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.224 -5.915 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.474 -5.925 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.932 -6.492 -3.942 1.00 0.00 H new ATOM 601 N CYS A 47 -8.674 -3.702 -1.630 1.00 0.00 N ATOM 602 CA CYS A 47 -7.821 -3.429 -0.491 1.00 0.00 C ATOM 603 C CYS A 47 -8.072 -4.461 0.600 1.00 0.00 C ATOM 604 O CYS A 47 -9.198 -4.920 0.775 1.00 0.00 O ATOM 605 CB CYS A 47 -8.097 -2.020 0.024 1.00 0.00 C ATOM 606 SG CYS A 47 -7.544 -0.707 -1.093 1.00 0.00 S ATOM 0 H CYS A 47 -9.668 -3.560 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.775 -3.493 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.168 -1.910 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.605 -1.894 0.988 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.370 -0.288 -0.723 1.00 0.00 H new ATOM 611 N ASN A 48 -7.017 -4.826 1.333 1.00 0.00 N ATOM 612 CA ASN A 48 -7.131 -5.800 2.400 1.00 0.00 C ATOM 613 C ASN A 48 -6.986 -5.110 3.749 1.00 0.00 C ATOM 614 O ASN A 48 -5.920 -4.591 4.073 1.00 0.00 O ATOM 615 CB ASN A 48 -6.060 -6.873 2.224 1.00 0.00 C ATOM 616 CG ASN A 48 -4.822 -6.545 3.046 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.560 -7.347 4.080 1.00 0.00 O flip ATOM 618 ND2 ASN A 48 -4.116 -5.582 2.751 1.00 0.00 N flip ATOM 0 H ASN A 48 -6.076 -4.456 1.200 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.112 -6.273 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.457 -7.842 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.791 -6.955 1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.358 -4.998 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.288 -5.367 3.307 1.00 0.00 H new ATOM 625 N PRO A 49 -8.063 -5.107 4.537 1.00 0.00 N ATOM 626 CA PRO A 49 -8.111 -4.503 5.852 1.00 0.00 C ATOM 627 C PRO A 49 -7.309 -5.348 6.831 1.00 0.00 C ATOM 628 O PRO A 49 -7.216 -5.014 8.010 1.00 0.00 O ATOM 629 CB PRO A 49 -9.592 -4.490 6.223 1.00 0.00 C ATOM 630 CG PRO A 49 -10.136 -5.714 5.487 1.00 0.00 C ATOM 631 CD PRO A 49 -9.332 -5.708 4.189 1.00 0.00 C ATOM 0 HA PRO A 49 -7.685 -3.500 5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.740 -4.567 7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.082 -3.572 5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.981 -6.631 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.207 -5.632 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.197 -6.719 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.840 -5.136 3.413 1.00 0.00 H new ATOM 639 N ALA A 50 -6.732 -6.447 6.340 1.00 0.00 N ATOM 640 CA ALA A 50 -5.946 -7.335 7.173 1.00 0.00 C ATOM 641 C ALA A 50 -4.539 -6.777 7.337 1.00 0.00 C ATOM 642 O ALA A 50 -3.780 -7.241 8.184 1.00 0.00 O ATOM 643 CB ALA A 50 -5.907 -8.723 6.541 1.00 0.00 C ATOM 0 H ALA A 50 -6.800 -6.737 5.364 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.402 -7.413 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.316 -9.391 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.922 -9.111 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.455 -8.659 5.551 1.00 0.00 H new ATOM 649 N ASP A 51 -4.193 -5.777 6.522 1.00 0.00 N ATOM 650 CA ASP A 51 -2.882 -5.164 6.580 1.00 0.00 C ATOM 651 C ASP A 51 -3.016 -3.651 6.484 1.00 0.00 C ATOM 652 O ASP A 51 -2.121 -2.977 5.980 1.00 0.00 O ATOM 653 CB ASP A 51 -2.018 -5.703 5.443 1.00 0.00 C ATOM 654 CG ASP A 51 -1.623 -7.151 5.700 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.692 -7.557 6.880 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.261 -7.824 4.711 1.00 0.00 O ATOM 0 H ASP A 51 -4.812 -5.380 5.815 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.404 -5.408 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.563 -5.632 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.122 -5.090 5.340 1.00 0.00 H new ATOM 661 N PHE A 52 -4.140 -3.117 6.969 1.00 0.00 N ATOM 662 CA PHE A 52 -4.383 -1.689 6.934 1.00 0.00 C ATOM 663 C PHE A 52 -3.729 -1.024 8.137 1.00 0.00 C ATOM 664 O PHE A 52 -4.195 -1.180 9.264 1.00 0.00 O ATOM 665 CB PHE A 52 -5.887 -1.430 6.923 1.00 0.00 C ATOM 666 CG PHE A 52 -6.384 -0.818 5.635 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.514 -0.063 4.838 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.714 -1.002 5.240 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.975 0.506 3.645 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.175 -0.432 4.047 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.305 0.322 3.249 1.00 0.00 C ATOM 0 H PHE A 52 -4.893 -3.662 7.390 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.948 -1.264 6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.411 -2.370 7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.140 -0.768 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.488 0.080 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.385 -1.584 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.304 1.087 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.201 -0.574 3.742 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.660 0.761 2.329 1.00 0.00 H new ATOM 681 N SER A 53 -2.647 -0.281 7.896 1.00 0.00 N ATOM 682 CA SER A 53 -1.938 0.403 8.959 1.00 0.00 C ATOM 683 C SER A 53 -2.208 1.899 8.881 1.00 0.00 C ATOM 684 O SER A 53 -2.836 2.370 7.936 1.00 0.00 O ATOM 685 CB SER A 53 -0.444 0.116 8.840 1.00 0.00 C ATOM 686 OG SER A 53 0.206 0.513 10.026 1.00 0.00 O ATOM 0 H SER A 53 -2.248 -0.142 6.968 1.00 0.00 H new ATOM 0 HA SER A 53 -2.288 0.041 9.926 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.280 -0.947 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.027 0.651 7.987 1.00 0.00 H new ATOM 0 HG SER A 53 1.165 0.327 9.951 1.00 0.00 H new ATOM 692 N SER A 54 -1.730 2.646 9.879 1.00 0.00 N ATOM 693 CA SER A 54 -1.920 4.082 9.916 1.00 0.00 C ATOM 694 C SER A 54 -0.702 4.748 10.542 1.00 0.00 C ATOM 695 O SER A 54 0.011 4.129 11.328 1.00 0.00 O ATOM 696 CB SER A 54 -3.182 4.407 10.710 1.00 0.00 C ATOM 697 OG SER A 54 -2.869 4.474 12.083 1.00 0.00 O ATOM 0 H SER A 54 -1.208 2.270 10.671 1.00 0.00 H new ATOM 0 HA SER A 54 -2.036 4.464 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.601 5.356 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.941 3.644 10.536 1.00 0.00 H new ATOM 0 HG SER A 54 -3.679 4.684 12.593 1.00 0.00 H new ATOM 703 N VAL A 55 -0.468 6.015 10.192 1.00 0.00 N ATOM 704 CA VAL A 55 0.659 6.758 10.719 1.00 0.00 C ATOM 705 C VAL A 55 0.492 8.237 10.405 1.00 0.00 C ATOM 706 O VAL A 55 -0.216 8.599 9.467 1.00 0.00 O ATOM 707 CB VAL A 55 1.952 6.218 10.115 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.863 6.273 8.592 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.127 7.069 10.587 1.00 0.00 C ATOM 0 H VAL A 55 -1.052 6.542 9.543 1.00 0.00 H new ATOM 0 HA VAL A 55 0.704 6.640 11.802 1.00 0.00 H new ATOM 0 HB VAL A 55 2.100 5.186 10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.786 5.887 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.023 5.666 8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.716 7.305 8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.051 6.684 10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.980 8.101 10.268 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.190 7.031 11.674 1.00 0.00 H new ATOM 719 N THR A 56 1.146 9.095 11.191 1.00 0.00 N ATOM 720 CA THR A 56 1.065 10.528 10.988 1.00 0.00 C ATOM 721 C THR A 56 2.465 11.117 10.883 1.00 0.00 C ATOM 722 O THR A 56 3.347 10.772 11.666 1.00 0.00 O ATOM 723 CB THR A 56 0.298 11.162 12.144 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.950 10.521 12.287 1.00 0.00 O ATOM 725 CG2 THR A 56 0.078 12.644 11.857 1.00 0.00 C ATOM 0 H THR A 56 1.737 8.813 11.973 1.00 0.00 H new ATOM 0 HA THR A 56 0.535 10.737 10.059 1.00 0.00 H new ATOM 0 HB THR A 56 0.871 11.052 13.064 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.443 10.927 13.031 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.470 13.097 12.683 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.042 13.140 11.746 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.495 12.755 10.937 1.00 0.00 H new ATOM 733 N ALA A 57 2.666 12.008 9.909 1.00 0.00 N ATOM 734 CA ALA A 57 3.954 12.639 9.705 1.00 0.00 C ATOM 735 C ALA A 57 4.251 13.589 10.857 1.00 0.00 C ATOM 736 O ALA A 57 3.333 14.095 11.499 1.00 0.00 O ATOM 737 CB ALA A 57 3.948 13.387 8.375 1.00 0.00 C ATOM 0 H ALA A 57 1.944 12.304 9.252 1.00 0.00 H new ATOM 0 HA ALA A 57 4.735 11.879 9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.917 13.862 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.755 12.685 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.168 14.149 8.389 1.00 0.00 H new ATOM 743 N ASP A 58 5.538 13.831 11.118 1.00 0.00 N ATOM 744 CA ASP A 58 5.947 14.716 12.190 1.00 0.00 C ATOM 745 C ASP A 58 6.136 16.126 11.649 1.00 0.00 C ATOM 746 O ASP A 58 5.760 16.413 10.515 1.00 0.00 O ATOM 747 CB ASP A 58 7.241 14.197 12.810 1.00 0.00 C ATOM 748 CG ASP A 58 8.379 14.225 11.799 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.154 14.790 10.707 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.452 13.681 12.138 1.00 0.00 O ATOM 0 H ASP A 58 6.311 13.420 10.594 1.00 0.00 H new ATOM 0 HA ASP A 58 5.176 14.743 12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.503 14.805 13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.094 13.178 13.169 1.00 0.00 H new ATOM 755 N ALA A 59 6.720 17.007 12.465 1.00 0.00 N ATOM 756 CA ALA A 59 6.954 18.380 12.066 1.00 0.00 C ATOM 757 C ALA A 59 7.902 18.417 10.876 1.00 0.00 C ATOM 758 O ALA A 59 7.848 19.339 10.065 1.00 0.00 O ATOM 759 CB ALA A 59 7.533 19.159 13.243 1.00 0.00 C ATOM 0 H ALA A 59 7.037 16.784 13.408 1.00 0.00 H new ATOM 0 HA ALA A 59 6.012 18.842 11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.709 20.192 12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.829 19.137 14.075 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.474 18.705 13.552 1.00 0.00 H new ATOM 765 N ASN A 60 8.773 17.410 10.772 1.00 0.00 N ATOM 766 CA ASN A 60 9.726 17.335 9.683 1.00 0.00 C ATOM 767 C ASN A 60 9.022 16.894 8.408 1.00 0.00 C ATOM 768 O ASN A 60 9.618 16.901 7.333 1.00 0.00 O ATOM 769 CB ASN A 60 10.839 16.358 10.051 1.00 0.00 C ATOM 770 CG ASN A 60 12.140 17.097 10.329 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.186 17.973 11.190 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.199 16.740 9.599 1.00 0.00 N ATOM 0 H ASN A 60 8.831 16.637 11.435 1.00 0.00 H new ATOM 0 HA ASN A 60 10.164 18.318 9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.548 15.783 10.930 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.987 15.646 9.239 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.097 17.201 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.110 16.006 8.896 1.00 0.00 H new ATOM 779 N GLY A 61 7.748 16.511 8.528 1.00 0.00 N ATOM 780 CA GLY A 61 6.975 16.072 7.384 1.00 0.00 C ATOM 781 C GLY A 61 7.378 14.659 6.986 1.00 0.00 C ATOM 782 O GLY A 61 7.053 14.203 5.892 1.00 0.00 O ATOM 0 H GLY A 61 7.238 16.499 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.912 16.101 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.133 16.752 6.547 1.00 0.00 H new ATOM 786 N SER A 62 8.090 13.967 7.878 1.00 0.00 N ATOM 787 CA SER A 62 8.533 12.612 7.615 1.00 0.00 C ATOM 788 C SER A 62 7.730 11.633 8.461 1.00 0.00 C ATOM 789 O SER A 62 7.480 11.885 9.638 1.00 0.00 O ATOM 790 CB SER A 62 10.023 12.496 7.923 1.00 0.00 C ATOM 791 OG SER A 62 10.249 12.814 9.278 1.00 0.00 O ATOM 0 H SER A 62 8.369 14.331 8.789 1.00 0.00 H new ATOM 0 HA SER A 62 8.372 12.370 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.371 11.485 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.591 13.169 7.281 1.00 0.00 H new ATOM 0 HG SER A 62 11.206 12.738 9.477 1.00 0.00 H new ATOM 797 N ALA A 63 7.326 10.513 7.857 1.00 0.00 N ATOM 798 CA ALA A 63 6.555 9.504 8.555 1.00 0.00 C ATOM 799 C ALA A 63 7.302 8.178 8.532 1.00 0.00 C ATOM 800 O ALA A 63 8.247 8.008 7.765 1.00 0.00 O ATOM 801 CB ALA A 63 5.186 9.365 7.897 1.00 0.00 C ATOM 0 H ALA A 63 7.525 10.290 6.882 1.00 0.00 H new ATOM 0 HA ALA A 63 6.415 9.802 9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.606 8.606 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.661 10.319 7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.311 9.070 6.855 1.00 0.00 H new ATOM 807 N SER A 64 6.876 7.236 9.377 1.00 0.00 N ATOM 808 CA SER A 64 7.505 5.932 9.447 1.00 0.00 C ATOM 809 C SER A 64 6.479 4.885 9.857 1.00 0.00 C ATOM 810 O SER A 64 5.784 5.052 10.857 1.00 0.00 O ATOM 811 CB SER A 64 8.658 5.978 10.445 1.00 0.00 C ATOM 812 OG SER A 64 8.192 5.597 11.720 1.00 0.00 O ATOM 0 H SER A 64 6.095 7.361 10.021 1.00 0.00 H new ATOM 0 HA SER A 64 7.899 5.661 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.458 5.310 10.124 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.078 6.983 10.485 1.00 0.00 H new ATOM 0 HG SER A 64 7.213 5.626 11.732 1.00 0.00 H new ATOM 818 N THR A 65 6.385 3.802 9.082 1.00 0.00 N ATOM 819 CA THR A 65 5.447 2.737 9.372 1.00 0.00 C ATOM 820 C THR A 65 5.811 1.493 8.574 1.00 0.00 C ATOM 821 O THR A 65 6.533 1.578 7.583 1.00 0.00 O ATOM 822 CB THR A 65 4.033 3.201 9.035 1.00 0.00 C ATOM 823 OG1 THR A 65 3.255 3.230 10.211 1.00 0.00 O ATOM 824 CG2 THR A 65 3.405 2.234 8.035 1.00 0.00 C ATOM 0 H THR A 65 6.953 3.648 8.249 1.00 0.00 H new ATOM 0 HA THR A 65 5.492 2.488 10.432 1.00 0.00 H new ATOM 0 HB THR A 65 4.073 4.200 8.600 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.699 3.788 10.883 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.395 2.565 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.006 2.210 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.365 1.235 8.470 1.00 0.00 H new ATOM 832 N SER A 66 5.308 0.336 9.009 1.00 0.00 N ATOM 833 CA SER A 66 5.581 -0.917 8.334 1.00 0.00 C ATOM 834 C SER A 66 4.283 -1.515 7.810 1.00 0.00 C ATOM 835 O SER A 66 3.322 -1.673 8.560 1.00 0.00 O ATOM 836 CB SER A 66 6.267 -1.877 9.302 1.00 0.00 C ATOM 837 OG SER A 66 7.636 -1.971 8.978 1.00 0.00 O ATOM 0 H SER A 66 4.708 0.250 9.829 1.00 0.00 H new ATOM 0 HA SER A 66 6.244 -0.741 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.148 -1.524 10.326 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.801 -2.861 9.247 1.00 0.00 H new ATOM 0 HG SER A 66 7.733 -2.195 8.029 1.00 0.00 H new ATOM 843 N LEU A 67 4.257 -1.848 6.517 1.00 0.00 N ATOM 844 CA LEU A 67 3.080 -2.428 5.900 1.00 0.00 C ATOM 845 C LEU A 67 3.298 -3.916 5.668 1.00 0.00 C ATOM 846 O LEU A 67 4.220 -4.307 4.956 1.00 0.00 O ATOM 847 CB LEU A 67 2.792 -1.712 4.584 1.00 0.00 C ATOM 848 CG LEU A 67 1.294 -1.759 4.296 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.832 -3.212 4.243 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.541 -1.025 5.402 1.00 0.00 C ATOM 0 H LEU A 67 5.045 -1.722 5.882 1.00 0.00 H new ATOM 0 HA LEU A 67 2.222 -2.306 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.130 -0.677 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.344 -2.185 3.772 1.00 0.00 H new ATOM 0 HG LEU A 67 1.092 -1.279 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.238 -3.246 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.370 -3.736 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.033 -3.693 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.529 -1.058 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.742 -1.505 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.871 0.013 5.440 1.00 0.00 H new ATOM 862 N THR A 68 2.446 -4.748 6.271 1.00 0.00 N ATOM 863 CA THR A 68 2.552 -6.185 6.124 1.00 0.00 C ATOM 864 C THR A 68 2.021 -6.608 4.762 1.00 0.00 C ATOM 865 O THR A 68 0.966 -6.146 4.333 1.00 0.00 O ATOM 866 CB THR A 68 1.773 -6.869 7.243 1.00 0.00 C ATOM 867 OG1 THR A 68 1.373 -8.153 6.821 1.00 0.00 O ATOM 868 CG2 THR A 68 0.539 -6.039 7.585 1.00 0.00 C ATOM 0 H THR A 68 1.676 -4.441 6.865 1.00 0.00 H new ATOM 0 HA THR A 68 3.598 -6.483 6.191 1.00 0.00 H new ATOM 0 HB THR A 68 2.407 -6.958 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.337 -8.755 7.594 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.018 -6.528 8.385 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.848 -5.046 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.095 -5.950 6.703 1.00 0.00 H new ATOM 876 N VAL A 69 2.757 -7.489 4.081 1.00 0.00 N ATOM 877 CA VAL A 69 2.359 -7.970 2.773 1.00 0.00 C ATOM 878 C VAL A 69 1.871 -9.408 2.880 1.00 0.00 C ATOM 879 O VAL A 69 2.498 -10.231 3.543 1.00 0.00 O ATOM 880 CB VAL A 69 3.541 -7.870 1.814 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.823 -7.636 2.608 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.664 -9.168 1.021 1.00 0.00 C ATOM 0 H VAL A 69 3.635 -7.880 4.423 1.00 0.00 H new ATOM 0 HA VAL A 69 1.543 -7.358 2.388 1.00 0.00 H new ATOM 0 HB VAL A 69 3.382 -7.038 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.668 -7.565 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.736 -6.709 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.982 -8.467 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.509 -9.097 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.823 -10.000 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.749 -9.335 0.453 1.00 0.00 H new ATOM 892 N ARG A 70 0.748 -9.709 2.224 1.00 0.00 N ATOM 893 CA ARG A 70 0.182 -11.043 2.248 1.00 0.00 C ATOM 894 C ARG A 70 0.186 -11.631 0.844 1.00 0.00 C ATOM 895 O ARG A 70 0.318 -10.901 -0.136 1.00 0.00 O ATOM 896 CB ARG A 70 -1.237 -10.982 2.804 1.00 0.00 C ATOM 897 CG ARG A 70 -1.208 -11.252 4.306 1.00 0.00 C ATOM 898 CD ARG A 70 0.000 -10.553 4.925 1.00 0.00 C ATOM 899 NE ARG A 70 -0.225 -10.272 6.343 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.012 -11.180 7.305 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.426 -12.405 6.985 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.239 -10.863 8.587 1.00 0.00 N ATOM 0 H ARG A 70 0.217 -9.038 1.670 1.00 0.00 H new ATOM 0 HA ARG A 70 0.783 -11.686 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.674 -10.003 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.867 -11.718 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.127 -10.892 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.156 -12.325 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.885 -11.179 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.198 -9.622 4.393 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.558 -9.346 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.597 -12.647 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.588 -13.096 7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.574 -9.931 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.077 -11.554 9.320 1.00 0.00 H new ATOM 916 N ARG A 71 0.041 -12.954 0.749 1.00 0.00 N ATOM 917 CA ARG A 71 0.029 -13.632 -0.531 1.00 0.00 C ATOM 918 C ARG A 71 -1.389 -13.669 -1.083 1.00 0.00 C ATOM 919 O ARG A 71 -1.587 -13.862 -2.280 1.00 0.00 O ATOM 920 CB ARG A 71 0.580 -15.046 -0.362 1.00 0.00 C ATOM 921 CG ARG A 71 -0.320 -15.831 0.588 1.00 0.00 C ATOM 922 CD ARG A 71 -0.022 -17.322 0.454 1.00 0.00 C ATOM 923 NE ARG A 71 -0.767 -18.097 1.446 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.649 -19.427 1.566 1.00 0.00 C ATOM 925 NH1 ARG A 71 0.179 -20.102 0.758 1.00 0.00 N ATOM 926 NH2 ARG A 71 -1.360 -20.082 2.495 1.00 0.00 N ATOM 0 H ARG A 71 -0.070 -13.572 1.553 1.00 0.00 H new ATOM 0 HA ARG A 71 0.659 -13.092 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.631 -15.546 -1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.596 -15.008 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.154 -15.507 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.368 -15.636 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.284 -17.660 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.047 -17.496 0.580 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.403 -17.605 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.720 -19.604 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.269 -21.114 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.991 -19.568 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.270 -21.094 2.586 1.00 0.00 H new ATOM 940 N SER A 72 -2.377 -13.481 -0.205 1.00 0.00 N ATOM 941 CA SER A 72 -3.769 -13.492 -0.609 1.00 0.00 C ATOM 942 C SER A 72 -4.626 -12.851 0.474 1.00 0.00 C ATOM 943 O SER A 72 -4.322 -12.968 1.659 1.00 0.00 O ATOM 944 CB SER A 72 -4.211 -14.929 -0.870 1.00 0.00 C ATOM 945 OG SER A 72 -5.605 -14.960 -1.081 1.00 0.00 O ATOM 0 H SER A 72 -2.229 -13.320 0.791 1.00 0.00 H new ATOM 0 HA SER A 72 -3.890 -12.917 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.691 -15.328 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.946 -15.562 -0.023 1.00 0.00 H new ATOM 0 HG SER A 72 -5.865 -14.214 -1.661 1.00 0.00 H new ATOM 951 N PHE A 73 -5.701 -12.174 0.064 1.00 0.00 N ATOM 952 CA PHE A 73 -6.595 -11.522 1.000 1.00 0.00 C ATOM 953 C PHE A 73 -7.762 -10.897 0.250 1.00 0.00 C ATOM 954 O PHE A 73 -7.631 -10.538 -0.919 1.00 0.00 O ATOM 955 CB PHE A 73 -5.824 -10.463 1.783 1.00 0.00 C ATOM 956 CG PHE A 73 -4.923 -9.613 0.920 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.471 -8.610 0.111 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.540 -9.828 0.927 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.636 -7.823 -0.690 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.704 -9.041 0.125 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.252 -8.038 -0.683 1.00 0.00 C ATOM 0 H PHE A 73 -5.967 -12.068 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.993 -12.256 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.533 -9.817 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.223 -10.954 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.538 -8.444 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.117 -10.601 1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.059 -7.049 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.637 -9.208 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.608 -7.430 -1.301 1.00 0.00 H new ATOM 971 N GLU A 74 -8.906 -10.765 0.924 1.00 0.00 N ATOM 972 CA GLU A 74 -10.086 -10.183 0.317 1.00 0.00 C ATOM 973 C GLU A 74 -9.776 -8.777 -0.179 1.00 0.00 C ATOM 974 O GLU A 74 -9.418 -7.903 0.608 1.00 0.00 O ATOM 975 CB GLU A 74 -11.222 -10.157 1.337 1.00 0.00 C ATOM 976 CG GLU A 74 -10.693 -9.647 2.674 1.00 0.00 C ATOM 977 CD GLU A 74 -10.509 -10.792 3.659 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.807 -11.756 3.283 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.075 -10.683 4.768 1.00 0.00 O ATOM 0 H GLU A 74 -9.032 -11.057 1.893 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.393 -10.787 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.028 -9.514 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.641 -11.156 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.742 -9.137 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.386 -8.914 3.088 1.00 0.00 H new ATOM 986 N GLY A 75 -9.913 -8.560 -1.489 1.00 0.00 N ATOM 987 CA GLY A 75 -9.647 -7.263 -2.078 1.00 0.00 C ATOM 988 C GLY A 75 -10.841 -6.340 -1.881 1.00 0.00 C ATOM 989 O GLY A 75 -11.814 -6.411 -2.629 1.00 0.00 O ATOM 0 H GLY A 75 -10.208 -9.273 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.760 -6.824 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.437 -7.375 -3.142 1.00 0.00 H new ATOM 993 N PHE A 76 -10.765 -5.470 -0.871 1.00 0.00 N ATOM 994 CA PHE A 76 -11.837 -4.539 -0.583 1.00 0.00 C ATOM 995 C PHE A 76 -11.713 -3.315 -1.479 1.00 0.00 C ATOM 996 O PHE A 76 -10.903 -2.429 -1.215 1.00 0.00 O ATOM 997 CB PHE A 76 -11.782 -4.140 0.889 1.00 0.00 C ATOM 998 CG PHE A 76 -12.909 -4.717 1.712 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.183 -4.140 1.654 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.679 -5.825 2.535 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.228 -4.673 2.419 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.723 -6.358 3.300 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.998 -5.782 3.242 1.00 0.00 C ATOM 0 H PHE A 76 -9.965 -5.398 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.798 -5.013 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.831 -4.466 1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.808 -3.053 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.360 -3.284 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.696 -6.269 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.211 -4.229 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.545 -7.213 3.935 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.804 -6.193 3.832 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.520 -3.267 -2.542 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.497 -2.154 -3.471 1.00 0.00 C ATOM 1015 C LEU A 77 -12.703 -0.848 -2.716 1.00 0.00 C ATOM 1016 O LEU A 77 -13.616 -0.738 -1.901 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.584 -2.348 -4.523 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.072 -0.986 -5.007 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.929 -0.254 -5.705 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.226 -1.177 -5.987 1.00 0.00 C ATOM 0 H LEU A 77 -13.197 -3.994 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.530 -2.113 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.195 -2.926 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.414 -2.916 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.413 -0.399 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.278 0.719 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.104 -0.117 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.588 -0.841 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.575 -0.204 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.886 -1.764 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.043 -1.699 -5.489 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.853 0.143 -2.991 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.948 1.433 -2.338 1.00 0.00 C ATOM 1034 C PHE A 78 -13.390 1.920 -2.364 1.00 0.00 C ATOM 1035 O PHE A 78 -13.855 2.540 -1.411 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.028 2.427 -3.042 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.670 2.554 -2.395 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.514 3.333 -1.242 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.566 1.895 -2.949 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -8.254 3.453 -0.643 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.306 2.014 -2.350 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.150 2.793 -1.197 1.00 0.00 C ATOM 0 H PHE A 78 -11.091 0.068 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.636 1.342 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.900 2.119 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.507 3.406 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -10.366 3.841 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.686 1.295 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.134 4.054 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.455 1.505 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.178 2.885 -0.735 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.098 1.637 -3.460 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.480 2.047 -3.604 1.00 0.00 C ATOM 1054 C ASP A 79 -16.305 1.489 -2.453 1.00 0.00 C ATOM 1055 O ASP A 79 -17.417 1.951 -2.204 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.019 1.554 -4.944 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.977 2.568 -5.552 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.718 3.777 -5.363 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.950 2.117 -6.193 1.00 0.00 O ATOM 0 H ASP A 79 -13.727 1.123 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.546 3.135 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.191 1.374 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.531 0.602 -4.806 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.760 0.494 -1.751 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.451 -0.117 -0.633 1.00 0.00 C ATOM 1066 C GLY A 80 -17.151 -1.393 -1.079 1.00 0.00 C ATOM 1067 O GLY A 80 -18.159 -1.788 -0.497 1.00 0.00 O ATOM 0 H GLY A 80 -14.840 0.099 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.741 -0.343 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.180 0.581 -0.222 1.00 0.00 H new ATOM 1071 N THR A 81 -16.613 -2.040 -2.116 1.00 0.00 N ATOM 1072 CA THR A 81 -17.189 -3.266 -2.630 1.00 0.00 C ATOM 1073 C THR A 81 -16.212 -4.417 -2.440 1.00 0.00 C ATOM 1074 O THR A 81 -15.000 -4.215 -2.452 1.00 0.00 O ATOM 1075 CB THR A 81 -17.532 -3.085 -4.106 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.776 -2.433 -4.223 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.608 -4.452 -4.781 1.00 0.00 C ATOM 0 H THR A 81 -15.778 -1.727 -2.611 1.00 0.00 H new ATOM 0 HA THR A 81 -18.103 -3.500 -2.083 1.00 0.00 H new ATOM 0 HB THR A 81 -16.761 -2.484 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.996 -2.315 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.853 -4.324 -5.835 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.646 -4.956 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.379 -5.053 -4.300 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.744 -5.629 -2.265 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.921 -6.805 -2.073 1.00 0.00 C ATOM 1087 C ARG A 82 -15.595 -7.433 -3.421 1.00 0.00 C ATOM 1088 O ARG A 82 -16.404 -8.176 -3.973 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.655 -7.799 -1.178 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.361 -7.481 0.285 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.121 -8.249 0.733 1.00 0.00 C ATOM 1092 NE ARG A 82 -15.415 -9.091 1.894 1.00 0.00 N ATOM 1093 CZ ARG A 82 -15.937 -10.320 1.785 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.209 -10.828 0.575 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.186 -11.043 2.886 1.00 0.00 N ATOM 0 H ARG A 82 -17.747 -5.812 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.986 -6.523 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.728 -7.748 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.339 -8.816 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.204 -6.410 0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.214 -7.753 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.757 -8.868 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.324 -7.547 0.981 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.214 -8.727 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.019 -10.279 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.606 -11.764 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.978 -10.657 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.583 -11.979 2.803 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.407 -7.132 -3.951 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.986 -7.671 -5.229 1.00 0.00 C ATOM 1111 C TRP A 83 -13.857 -9.185 -5.136 1.00 0.00 C ATOM 1112 O TRP A 83 -14.291 -9.904 -6.033 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.658 -7.039 -5.633 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.475 -6.843 -7.104 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.755 -5.708 -7.780 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -11.977 -7.788 -8.100 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.467 -5.884 -9.117 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.984 -7.151 -9.370 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.522 -9.117 -8.059 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.562 -7.796 -10.536 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.096 -9.774 -9.223 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.115 -9.119 -10.460 1.00 0.00 C ATOM 0 H TRP A 83 -13.725 -6.517 -3.508 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.732 -7.437 -5.989 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.567 -6.072 -5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.847 -7.665 -5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.145 -4.802 -7.341 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.595 -5.166 -9.830 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.500 -9.642 -7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.581 -7.279 -11.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -10.750 -10.795 -9.164 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -10.786 -9.633 -11.351 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.257 -9.669 -4.045 1.00 0.00 N ATOM 1134 CA GLY A 84 -13.077 -11.093 -3.845 1.00 0.00 C ATOM 1135 C GLY A 84 -11.668 -11.380 -3.343 1.00 0.00 C ATOM 1136 O GLY A 84 -10.873 -10.462 -3.159 1.00 0.00 O ATOM 0 H GLY A 84 -12.890 -9.088 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.809 -11.462 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.253 -11.624 -4.781 1.00 0.00 H new ATOM 1140 N THR A 85 -11.361 -12.661 -3.122 1.00 0.00 N ATOM 1141 CA THR A 85 -10.053 -13.058 -2.644 1.00 0.00 C ATOM 1142 C THR A 85 -8.993 -12.698 -3.675 1.00 0.00 C ATOM 1143 O THR A 85 -9.099 -13.080 -4.838 1.00 0.00 O ATOM 1144 CB THR A 85 -10.048 -14.558 -2.366 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.375 -15.018 -2.243 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.293 -14.833 -1.068 1.00 0.00 C ATOM 0 H THR A 85 -12.008 -13.435 -3.270 1.00 0.00 H new ATOM 0 HA THR A 85 -9.825 -12.528 -1.719 1.00 0.00 H new ATOM 0 HB THR A 85 -9.558 -15.078 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.372 -15.982 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.289 -15.905 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.267 -14.478 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.783 -14.313 -0.245 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.967 -11.959 -3.244 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.894 -11.551 -4.128 1.00 0.00 C ATOM 1156 C VAL A 86 -5.678 -12.440 -3.907 1.00 0.00 C ATOM 1157 O VAL A 86 -5.502 -12.994 -2.824 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.549 -10.088 -3.867 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.066 -9.857 -4.142 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.382 -9.198 -4.786 1.00 0.00 C ATOM 0 H VAL A 86 -7.865 -11.634 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.212 -11.656 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.767 -9.843 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.820 -8.812 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.471 -10.493 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.846 -10.102 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.136 -8.152 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.164 -9.443 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.441 -9.362 -4.589 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.839 -12.574 -4.936 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.647 -13.393 -4.849 1.00 0.00 C ATOM 1172 C ASP A 87 -2.432 -12.582 -5.276 1.00 0.00 C ATOM 1173 O ASP A 87 -2.151 -12.464 -6.466 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.813 -14.626 -5.732 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.385 -15.792 -4.938 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.271 -15.741 -3.694 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.927 -16.711 -5.589 1.00 0.00 O ATOM 0 H ASP A 87 -4.972 -12.120 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.498 -13.718 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.472 -14.393 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.849 -14.908 -6.155 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.712 -12.024 -4.301 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.533 -11.228 -4.579 1.00 0.00 C ATOM 1184 C CYS A 88 0.425 -12.019 -5.459 1.00 0.00 C ATOM 1185 O CYS A 88 1.197 -11.438 -6.218 1.00 0.00 O ATOM 1186 CB CYS A 88 0.137 -10.835 -3.266 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.716 -9.513 -2.372 1.00 0.00 S ATOM 0 H CYS A 88 -1.933 -12.114 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.818 -10.320 -5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.198 -11.714 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.160 -10.519 -3.472 1.00 0.00 H new ATOM 1192 N THR A 89 0.375 -13.349 -5.355 1.00 0.00 N ATOM 1193 CA THR A 89 1.238 -14.207 -6.142 1.00 0.00 C ATOM 1194 C THR A 89 0.700 -14.324 -7.560 1.00 0.00 C ATOM 1195 O THR A 89 1.273 -15.029 -8.388 1.00 0.00 O ATOM 1196 CB THR A 89 1.327 -15.580 -5.482 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.036 -16.136 -5.378 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.933 -15.437 -4.088 1.00 0.00 C ATOM 0 H THR A 89 -0.258 -13.848 -4.730 1.00 0.00 H new ATOM 0 HA THR A 89 2.238 -13.775 -6.191 1.00 0.00 H new ATOM 0 HB THR A 89 1.957 -16.233 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.093 -17.019 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.997 -16.418 -3.617 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.932 -15.007 -4.168 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.304 -14.784 -3.483 1.00 0.00 H new ATOM 1206 N THR A 90 -0.406 -13.631 -7.840 1.00 0.00 N ATOM 1207 CA THR A 90 -1.012 -13.662 -9.156 1.00 0.00 C ATOM 1208 C THR A 90 -1.006 -12.267 -9.763 1.00 0.00 C ATOM 1209 O THR A 90 -0.984 -12.117 -10.983 1.00 0.00 O ATOM 1210 CB THR A 90 -2.437 -14.197 -9.046 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.429 -15.595 -9.231 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.309 -13.547 -10.116 1.00 0.00 C ATOM 0 H THR A 90 -0.895 -13.043 -7.165 1.00 0.00 H new ATOM 0 HA THR A 90 -0.438 -14.321 -9.808 1.00 0.00 H new ATOM 0 HB THR A 90 -2.838 -13.963 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.344 -15.940 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.327 -13.929 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.315 -12.466 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.909 -13.780 -11.103 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.025 -11.242 -8.907 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.022 -9.866 -9.361 1.00 0.00 C ATOM 1222 C ALA A 91 0.023 -9.072 -8.591 1.00 0.00 C ATOM 1223 O ALA A 91 0.793 -9.639 -7.819 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.411 -9.265 -9.165 1.00 0.00 C ATOM 0 H ALA A 91 -1.043 -11.349 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.770 -9.828 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.411 -8.230 -9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.139 -9.836 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.676 -9.299 -8.108 1.00 0.00 H new ATOM 1230 N ALA A 92 0.048 -7.754 -8.802 1.00 0.00 N ATOM 1231 CA ALA A 92 0.998 -6.890 -8.130 1.00 0.00 C ATOM 1232 C ALA A 92 0.306 -6.147 -6.996 1.00 0.00 C ATOM 1233 O ALA A 92 -0.698 -5.473 -7.215 1.00 0.00 O ATOM 1234 CB ALA A 92 1.591 -5.908 -9.137 1.00 0.00 C ATOM 0 H ALA A 92 -0.585 -7.268 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 92 1.805 -7.489 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.306 -5.257 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.098 -6.460 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.793 -5.304 -9.570 1.00 0.00 H new ATOM 1240 N CYS A 93 0.845 -6.272 -5.782 1.00 0.00 N ATOM 1241 CA CYS A 93 0.279 -5.615 -4.621 1.00 0.00 C ATOM 1242 C CYS A 93 1.131 -4.411 -4.245 1.00 0.00 C ATOM 1243 O CYS A 93 2.330 -4.388 -4.514 1.00 0.00 O ATOM 1244 CB CYS A 93 0.201 -6.606 -3.463 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.951 -7.974 -3.742 1.00 0.00 S ATOM 0 H CYS A 93 1.678 -6.827 -5.585 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.728 -5.266 -4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.195 -7.013 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.097 -6.072 -2.561 1.00 0.00 H new ATOM 1250 N GLN A 94 0.509 -3.409 -3.619 1.00 0.00 N ATOM 1251 CA GLN A 94 1.212 -2.209 -3.212 1.00 0.00 C ATOM 1252 C GLN A 94 0.615 -1.675 -1.917 1.00 0.00 C ATOM 1253 O GLN A 94 -0.579 -1.828 -1.673 1.00 0.00 O ATOM 1254 CB GLN A 94 1.120 -1.166 -4.321 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.014 -0.192 -4.012 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.560 0.429 -5.289 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.322 -0.082 -6.381 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.292 1.537 -5.150 1.00 0.00 N ATOM 0 H GLN A 94 -0.484 -3.414 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 94 2.262 -2.440 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.063 -0.627 -4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.943 -1.654 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.814 -0.714 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.346 0.593 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.462 1.923 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.682 1.997 -5.973 1.00 0.00 H new ATOM 1267 N VAL A 95 1.451 -1.046 -1.088 1.00 0.00 N ATOM 1268 CA VAL A 95 1.004 -0.492 0.174 1.00 0.00 C ATOM 1269 C VAL A 95 1.033 1.028 0.109 1.00 0.00 C ATOM 1270 O VAL A 95 1.720 1.602 -0.733 1.00 0.00 O ATOM 1271 CB VAL A 95 1.899 -1.003 1.299 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.884 -0.007 2.455 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.383 -2.355 1.785 1.00 0.00 C ATOM 0 H VAL A 95 2.444 -0.912 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.020 -0.808 0.372 1.00 0.00 H new ATOM 0 HB VAL A 95 2.918 -1.114 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.523 -0.372 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.253 0.958 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.865 0.106 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.022 -2.721 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.363 -2.244 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.395 -3.067 0.960 1.00 0.00 H new ATOM 1283 N GLY A 96 0.286 1.682 1.002 1.00 0.00 N ATOM 1284 CA GLY A 96 0.235 3.129 1.037 1.00 0.00 C ATOM 1285 C GLY A 96 -0.621 3.599 2.205 1.00 0.00 C ATOM 1286 O GLY A 96 -1.315 2.800 2.830 1.00 0.00 O ATOM 0 H GLY A 96 -0.290 1.223 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.243 3.533 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.175 3.508 0.101 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.571 4.900 2.499 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.339 5.470 3.588 1.00 0.00 C ATOM 1292 C LEU A 97 -2.139 6.664 3.087 1.00 0.00 C ATOM 1293 O LEU A 97 -1.585 7.567 2.463 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.395 5.885 4.713 1.00 0.00 C ATOM 1295 CG LEU A 97 0.526 6.996 4.219 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.608 8.096 5.273 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.920 6.427 3.968 1.00 0.00 C ATOM 0 H LEU A 97 -0.001 5.575 1.990 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.037 4.727 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.967 6.229 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.194 5.029 5.042 1.00 0.00 H new ATOM 0 HG LEU A 97 0.130 7.410 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.266 8.890 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.387 8.503 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.004 7.682 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.579 7.220 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.316 6.012 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.862 5.641 3.215 1.00 0.00 H new ATOM 1309 N SER A 98 -3.445 6.667 3.362 1.00 0.00 N ATOM 1310 CA SER A 98 -4.311 7.749 2.939 1.00 0.00 C ATOM 1311 C SER A 98 -4.851 8.485 4.158 1.00 0.00 C ATOM 1312 O SER A 98 -5.052 7.883 5.211 1.00 0.00 O ATOM 1313 CB SER A 98 -5.453 7.186 2.098 1.00 0.00 C ATOM 1314 OG SER A 98 -4.970 6.847 0.818 1.00 0.00 O ATOM 0 H SER A 98 -3.919 5.926 3.878 1.00 0.00 H new ATOM 0 HA SER A 98 -3.745 8.457 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.877 6.307 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.254 7.921 2.014 1.00 0.00 H new ATOM 0 HG SER A 98 -5.702 6.484 0.278 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.086 9.791 4.013 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.600 10.600 5.100 1.00 0.00 C ATOM 1322 C ASP A 99 -7.057 10.952 4.835 1.00 0.00 C ATOM 1323 O ASP A 99 -7.735 10.265 4.074 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.755 11.863 5.236 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.247 12.951 4.292 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.188 12.709 3.067 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.673 14.005 4.813 1.00 0.00 O ATOM 0 H ASP A 99 -4.925 10.305 3.147 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.546 10.040 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.795 12.223 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.712 11.632 5.019 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.538 12.025 5.466 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.910 12.461 5.297 1.00 0.00 C ATOM 1334 C ALA A 100 -9.107 13.008 3.890 1.00 0.00 C ATOM 1335 O ALA A 100 -10.074 12.658 3.216 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.238 13.523 6.342 1.00 0.00 C ATOM 0 H ALA A 100 -6.988 12.605 6.100 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.584 11.616 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.270 13.851 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.111 13.103 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.569 14.374 6.218 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.188 13.869 3.449 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.266 14.460 2.128 1.00 0.00 C ATOM 1344 C ALA A 101 -8.013 13.395 1.071 1.00 0.00 C ATOM 1345 O ALA A 101 -8.445 13.537 -0.071 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.244 15.588 2.015 1.00 0.00 C ATOM 0 H ALA A 101 -7.381 14.168 3.996 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.262 14.873 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.302 16.033 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.457 16.348 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.242 15.189 2.176 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.311 12.325 1.453 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.008 11.247 0.533 1.00 0.00 C ATOM 1354 C GLY A 102 -5.664 11.490 -0.140 1.00 0.00 C ATOM 1355 O GLY A 102 -5.571 11.485 -1.365 1.00 0.00 O ATOM 0 H GLY A 102 -6.945 12.190 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.988 10.298 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.792 11.172 -0.221 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.621 11.704 0.666 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.291 11.947 0.145 1.00 0.00 C ATOM 1361 C ASN A 103 -2.291 11.022 0.823 1.00 0.00 C ATOM 1362 O ASN A 103 -2.600 10.409 1.842 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.917 13.408 0.373 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.086 13.565 1.638 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.972 14.084 1.592 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.630 13.116 2.772 1.00 0.00 N ATOM 0 H ASN A 103 -4.682 11.712 1.684 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.274 11.743 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.357 13.782 -0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.822 14.011 0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.118 13.197 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.558 12.693 2.760 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.087 10.921 0.254 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.052 10.072 0.809 1.00 0.00 C ATOM 1375 C GLY A 104 1.250 10.257 0.042 1.00 0.00 C ATOM 1376 O GLY A 104 1.295 10.996 -0.940 1.00 0.00 O ATOM 0 H GLY A 104 -0.813 11.421 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.100 10.313 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.364 9.029 0.763 1.00 0.00 H new ATOM 1380 N PRO A 105 2.310 9.584 0.493 1.00 0.00 N ATOM 1381 CA PRO A 105 3.626 9.636 -0.107 1.00 0.00 C ATOM 1382 C PRO A 105 3.616 8.876 -1.426 1.00 0.00 C ATOM 1383 O PRO A 105 2.715 8.080 -1.678 1.00 0.00 O ATOM 1384 CB PRO A 105 4.547 8.961 0.907 1.00 0.00 C ATOM 1385 CG PRO A 105 3.619 7.955 1.588 1.00 0.00 C ATOM 1386 CD PRO A 105 2.292 8.708 1.644 1.00 0.00 C ATOM 0 HA PRO A 105 3.951 10.653 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.391 8.470 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.960 9.677 1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.536 7.030 1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.974 7.685 2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.446 8.021 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.199 9.275 2.570 1.00 0.00 H new ATOM 1394 N GLU A 106 4.622 9.125 -2.268 1.00 0.00 N ATOM 1395 CA GLU A 106 4.720 8.463 -3.553 1.00 0.00 C ATOM 1396 C GLU A 106 4.264 7.016 -3.429 1.00 0.00 C ATOM 1397 O GLU A 106 4.831 6.248 -2.655 1.00 0.00 O ATOM 1398 CB GLU A 106 6.160 8.534 -4.052 1.00 0.00 C ATOM 1399 CG GLU A 106 6.181 9.109 -5.466 1.00 0.00 C ATOM 1400 CD GLU A 106 7.509 8.818 -6.151 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.613 7.722 -6.743 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.394 9.697 -6.069 1.00 0.00 O ATOM 0 H GLU A 106 5.377 9.783 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 106 4.073 8.965 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.757 9.157 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.608 7.540 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.365 8.681 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.015 10.186 -5.428 1.00 0.00 H new ATOM 1409 N GLY A 107 3.235 6.644 -4.195 1.00 0.00 N ATOM 1410 CA GLY A 107 2.713 5.292 -4.164 1.00 0.00 C ATOM 1411 C GLY A 107 3.849 4.291 -4.010 1.00 0.00 C ATOM 1412 O GLY A 107 4.981 4.567 -4.403 1.00 0.00 O ATOM 0 H GLY A 107 2.752 7.267 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.010 5.185 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.160 5.087 -5.081 1.00 0.00 H new ATOM 1416 N VAL A 108 3.544 3.125 -3.436 1.00 0.00 N ATOM 1417 CA VAL A 108 4.538 2.090 -3.232 1.00 0.00 C ATOM 1418 C VAL A 108 4.145 0.840 -4.007 1.00 0.00 C ATOM 1419 O VAL A 108 3.248 0.108 -3.594 1.00 0.00 O ATOM 1420 CB VAL A 108 4.658 1.787 -1.741 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.226 0.384 -1.551 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.589 2.805 -1.090 1.00 0.00 C ATOM 0 H VAL A 108 2.610 2.881 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 108 5.506 2.432 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 108 3.673 1.846 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.312 0.167 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.562 -0.344 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.211 0.324 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.676 2.590 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.574 2.746 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.184 3.808 -1.226 1.00 0.00 H new ATOM 1432 N ALA A 109 4.819 0.597 -5.133 1.00 0.00 N ATOM 1433 CA ALA A 109 4.537 -0.560 -5.958 1.00 0.00 C ATOM 1434 C ALA A 109 5.336 -1.756 -5.459 1.00 0.00 C ATOM 1435 O ALA A 109 6.559 -1.690 -5.360 1.00 0.00 O ATOM 1436 CB ALA A 109 4.885 -0.245 -7.410 1.00 0.00 C ATOM 0 H ALA A 109 5.566 1.194 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 109 3.477 -0.806 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.673 -1.115 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.287 0.600 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.943 0.005 -7.484 1.00 0.00 H new ATOM 1442 N ILE A 110 4.640 -2.851 -5.145 1.00 0.00 N ATOM 1443 CA ILE A 110 5.284 -4.055 -4.659 1.00 0.00 C ATOM 1444 C ILE A 110 5.394 -5.071 -5.788 1.00 0.00 C ATOM 1445 O ILE A 110 4.633 -5.015 -6.751 1.00 0.00 O ATOM 1446 CB ILE A 110 4.483 -4.625 -3.492 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.932 -3.482 -2.646 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.389 -5.504 -2.634 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.135 -4.052 -1.476 1.00 0.00 C ATOM 0 H ILE A 110 3.625 -2.920 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 110 6.289 -3.820 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 110 3.656 -5.222 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.749 -2.863 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.296 -2.839 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.817 -5.911 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.781 -6.322 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.216 -4.908 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.741 -3.235 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.309 -4.652 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.785 -4.676 -0.863 1.00 0.00 H new ATOM 1461 N SER A 111 6.343 -6.002 -5.666 1.00 0.00 N ATOM 1462 CA SER A 111 6.544 -7.024 -6.674 1.00 0.00 C ATOM 1463 C SER A 111 6.891 -8.347 -6.006 1.00 0.00 C ATOM 1464 O SER A 111 7.834 -8.420 -5.220 1.00 0.00 O ATOM 1465 CB SER A 111 7.657 -6.588 -7.623 1.00 0.00 C ATOM 1466 OG SER A 111 7.432 -7.148 -8.898 1.00 0.00 O ATOM 0 H SER A 111 6.982 -6.062 -4.873 1.00 0.00 H new ATOM 0 HA SER A 111 5.627 -7.160 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.686 -5.501 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.625 -6.909 -7.238 1.00 0.00 H new ATOM 0 HG SER A 111 8.145 -6.867 -9.509 1.00 0.00 H new ATOM 1472 N PHE A 112 6.128 -9.395 -6.321 1.00 0.00 N ATOM 1473 CA PHE A 112 6.360 -10.707 -5.752 1.00 0.00 C ATOM 1474 C PHE A 112 7.190 -11.548 -6.712 1.00 0.00 C ATOM 1475 O PHE A 112 6.811 -11.729 -7.868 1.00 0.00 O ATOM 1476 CB PHE A 112 5.021 -11.380 -5.462 1.00 0.00 C ATOM 1477 CG PHE A 112 4.188 -10.647 -4.437 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.666 -9.383 -4.734 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.937 -11.234 -3.192 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.892 -8.705 -3.784 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.163 -10.557 -2.242 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.640 -9.292 -2.538 1.00 0.00 C ATOM 0 H PHE A 112 5.343 -9.352 -6.971 1.00 0.00 H new ATOM 0 HA PHE A 112 6.912 -10.609 -4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.454 -11.459 -6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.202 -12.396 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.860 -8.931 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.340 -12.210 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.489 -7.729 -4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.969 -11.010 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.043 -8.769 -1.806 1.00 0.00 H new ATOM 1492 N ASN A 113 8.325 -12.062 -6.232 1.00 0.00 N ATOM 1493 CA ASN A 113 9.198 -12.879 -7.050 1.00 0.00 C ATOM 1494 C ASN A 113 9.684 -12.078 -8.250 1.00 0.00 C ATOM 1495 O ASN A 113 9.712 -10.850 -8.210 1.00 0.00 O ATOM 1496 CB ASN A 113 8.447 -14.128 -7.502 1.00 0.00 C ATOM 1497 CG ASN A 113 7.994 -14.952 -6.306 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.845 -14.590 -5.730 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 8.671 -15.898 -5.909 1.00 0.00 N flip ATOM 0 H ASN A 113 8.654 -11.921 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 113 10.067 -13.183 -6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.582 -13.841 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.090 -14.732 -8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.542 -16.136 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.361 -16.445 -5.106 1.00 0.00 H new TER 1506 ASN A 113