USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 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 Single : A 1 GLY N :NH3+ -123:sc= 0.131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.366 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc=0.000646 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -30:sc= -1.43! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.438) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0.463 (180deg=0.417) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0865) USER MOD Single : A 38 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.5!) USER MOD Single : A 39 MET CE :methyl -164:sc= -2.05! (180deg=-2.77!) USER MOD Single : A 42 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.93) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -6.03! C(o=-6!,f=-6.1!) USER MOD Single : A 56 GLN : amide:sc= -0.871 K(o=-0.87,f=-0.28) USER MOD Single : A 57 MET CE :methyl -104:sc= -3.62! (180deg=-6.93!) USER MOD Single : A 67 GLN : amide:sc=-0.000394 X(o=-0.00039,f=-0.19) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 136:sc= 0.163 USER MOD Single : A 74 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.4) USER MOD Single : A 76 MET CE :methyl 155:sc= -0.485 (180deg=-0.764) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 171:sc= -0.485 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 83 MET CE :methyl -144:sc= -0.41 (180deg=-1.19) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 164:sc= -5.05! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0176 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.423 -1.998 4.027 1.00 0.00 N ATOM 2 CA GLY A 1 -33.349 -2.634 4.770 1.00 0.00 C ATOM 3 C GLY A 1 -32.003 -2.434 4.070 1.00 0.00 C ATOM 4 O GLY A 1 -31.921 -1.724 3.068 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.913 -1.316 4.641 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.028 -1.501 3.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.097 -2.721 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.304 -2.220 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.555 -3.700 4.873 1.00 0.00 H new ATOM 8 N SER A 2 -30.983 -3.072 4.624 1.00 0.00 N ATOM 9 CA SER A 2 -29.646 -2.972 4.064 1.00 0.00 C ATOM 10 C SER A 2 -28.917 -4.310 4.210 1.00 0.00 C ATOM 11 O SER A 2 -29.058 -4.991 5.224 1.00 0.00 O ATOM 12 CB SER A 2 -28.847 -1.857 4.742 1.00 0.00 C ATOM 13 OG SER A 2 -28.008 -1.166 3.820 1.00 0.00 O ATOM 0 H SER A 2 -31.055 -3.660 5.454 1.00 0.00 H new ATOM 0 HA SER A 2 -29.736 -2.727 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.534 -1.150 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.237 -2.281 5.540 1.00 0.00 H new ATOM 0 HG SER A 2 -27.516 -0.461 4.290 1.00 0.00 H new ATOM 19 N SER A 3 -28.153 -4.646 3.180 1.00 0.00 N ATOM 20 CA SER A 3 -27.402 -5.890 3.181 1.00 0.00 C ATOM 21 C SER A 3 -25.915 -5.603 3.399 1.00 0.00 C ATOM 22 O SER A 3 -25.295 -4.887 2.615 1.00 0.00 O ATOM 23 CB SER A 3 -27.608 -6.658 1.873 1.00 0.00 C ATOM 24 OG SER A 3 -27.118 -5.935 0.747 1.00 0.00 O ATOM 0 H SER A 3 -28.038 -4.079 2.340 1.00 0.00 H new ATOM 0 HA SER A 3 -27.769 -6.511 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.101 -7.621 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.670 -6.865 1.737 1.00 0.00 H new ATOM 0 HG SER A 3 -26.400 -5.333 1.032 1.00 0.00 H new ATOM 30 N GLY A 4 -25.386 -6.177 4.470 1.00 0.00 N ATOM 31 CA GLY A 4 -23.984 -5.992 4.802 1.00 0.00 C ATOM 32 C GLY A 4 -23.091 -6.293 3.597 1.00 0.00 C ATOM 33 O GLY A 4 -23.166 -7.375 3.018 1.00 0.00 O ATOM 0 H GLY A 4 -25.903 -6.770 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.818 -4.968 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.714 -6.645 5.632 1.00 0.00 H new ATOM 37 N SER A 5 -22.265 -5.315 3.254 1.00 0.00 N ATOM 38 CA SER A 5 -21.358 -5.461 2.128 1.00 0.00 C ATOM 39 C SER A 5 -20.169 -6.338 2.524 1.00 0.00 C ATOM 40 O SER A 5 -19.836 -6.442 3.703 1.00 0.00 O ATOM 41 CB SER A 5 -20.871 -4.098 1.632 1.00 0.00 C ATOM 42 OG SER A 5 -20.962 -3.981 0.215 1.00 0.00 O ATOM 0 H SER A 5 -22.205 -4.418 3.736 1.00 0.00 H new ATOM 0 HA SER A 5 -21.900 -5.941 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.462 -3.310 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.837 -3.948 1.942 1.00 0.00 H new ATOM 0 HG SER A 5 -20.643 -3.096 -0.061 1.00 0.00 H new ATOM 48 N SER A 6 -19.562 -6.946 1.516 1.00 0.00 N ATOM 49 CA SER A 6 -18.417 -7.811 1.744 1.00 0.00 C ATOM 50 C SER A 6 -17.404 -7.650 0.608 1.00 0.00 C ATOM 51 O SER A 6 -17.751 -7.183 -0.476 1.00 0.00 O ATOM 52 CB SER A 6 -18.847 -9.274 1.867 1.00 0.00 C ATOM 53 OG SER A 6 -19.202 -9.615 3.204 1.00 0.00 O ATOM 0 H SER A 6 -19.841 -6.857 0.539 1.00 0.00 H new ATOM 0 HA SER A 6 -17.950 -7.517 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.695 -9.459 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.036 -9.920 1.531 1.00 0.00 H new ATOM 0 HG SER A 6 -19.455 -8.804 3.692 1.00 0.00 H new ATOM 59 N GLY A 7 -16.173 -8.045 0.895 1.00 0.00 N ATOM 60 CA GLY A 7 -15.108 -7.950 -0.088 1.00 0.00 C ATOM 61 C GLY A 7 -14.513 -9.327 -0.387 1.00 0.00 C ATOM 62 O GLY A 7 -14.541 -10.217 0.462 1.00 0.00 O ATOM 0 H GLY A 7 -15.889 -8.432 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.495 -7.510 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.327 -7.285 0.280 1.00 0.00 H new ATOM 66 N GLU A 8 -13.988 -9.460 -1.597 1.00 0.00 N ATOM 67 CA GLU A 8 -13.387 -10.714 -2.018 1.00 0.00 C ATOM 68 C GLU A 8 -12.195 -10.448 -2.939 1.00 0.00 C ATOM 69 O GLU A 8 -12.193 -10.871 -4.095 1.00 0.00 O ATOM 70 CB GLU A 8 -14.419 -11.614 -2.702 1.00 0.00 C ATOM 71 CG GLU A 8 -14.895 -10.999 -4.019 1.00 0.00 C ATOM 72 CD GLU A 8 -14.858 -12.029 -5.150 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.787 -12.652 -5.315 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.901 -12.170 -5.824 1.00 0.00 O ATOM 0 H GLU A 8 -13.967 -8.720 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.027 -11.238 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.983 -12.595 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.271 -11.766 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.910 -10.619 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.264 -10.148 -4.276 1.00 0.00 H new ATOM 81 N GLY A 9 -11.210 -9.750 -2.394 1.00 0.00 N ATOM 82 CA GLY A 9 -10.015 -9.423 -3.152 1.00 0.00 C ATOM 83 C GLY A 9 -9.187 -8.354 -2.436 1.00 0.00 C ATOM 84 O GLY A 9 -9.736 -7.388 -1.908 1.00 0.00 O ATOM 0 H GLY A 9 -11.215 -9.402 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.413 -10.320 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.295 -9.068 -4.144 1.00 0.00 H new ATOM 88 N TYR A 10 -7.878 -8.563 -2.442 1.00 0.00 N ATOM 89 CA TYR A 10 -6.969 -7.629 -1.800 1.00 0.00 C ATOM 90 C TYR A 10 -6.108 -6.902 -2.835 1.00 0.00 C ATOM 91 O TYR A 10 -6.236 -5.692 -3.015 1.00 0.00 O ATOM 92 CB TYR A 10 -6.062 -8.473 -0.902 1.00 0.00 C ATOM 93 CG TYR A 10 -6.729 -8.939 0.394 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.548 -8.079 1.096 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.512 -10.220 0.860 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.176 -8.517 2.316 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.140 -10.658 2.080 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.941 -9.785 2.747 1.00 0.00 C ATOM 99 OH TYR A 10 -8.533 -10.199 3.899 1.00 0.00 O ATOM 0 H TYR A 10 -7.426 -9.365 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.525 -6.875 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.726 -9.347 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.173 -7.893 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.718 -7.077 0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.872 -10.894 0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.819 -7.854 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.978 -11.657 2.456 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.276 -11.127 4.084 1.00 0.00 H new ATOM 109 N GLU A 11 -5.249 -7.672 -3.488 1.00 0.00 N ATOM 110 CA GLU A 11 -4.367 -7.117 -4.501 1.00 0.00 C ATOM 111 C GLU A 11 -5.099 -6.046 -5.313 1.00 0.00 C ATOM 112 O GLU A 11 -4.581 -4.947 -5.508 1.00 0.00 O ATOM 113 CB GLU A 11 -3.818 -8.216 -5.412 1.00 0.00 C ATOM 114 CG GLU A 11 -2.495 -8.764 -4.873 1.00 0.00 C ATOM 115 CD GLU A 11 -2.240 -10.183 -5.385 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.235 -10.932 -5.501 1.00 0.00 O ATOM 117 OE2 GLU A 11 -1.057 -10.488 -5.649 1.00 0.00 O ATOM 0 H GLU A 11 -5.145 -8.675 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.519 -6.649 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.545 -9.024 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.670 -7.820 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.676 -8.111 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.515 -8.765 -3.783 1.00 0.00 H new ATOM 124 N GLN A 12 -6.292 -6.404 -5.765 1.00 0.00 N ATOM 125 CA GLN A 12 -7.100 -5.488 -6.552 1.00 0.00 C ATOM 126 C GLN A 12 -7.161 -4.118 -5.874 1.00 0.00 C ATOM 127 O GLN A 12 -6.655 -3.133 -6.410 1.00 0.00 O ATOM 128 CB GLN A 12 -8.504 -6.051 -6.778 1.00 0.00 C ATOM 129 CG GLN A 12 -9.297 -5.175 -7.750 1.00 0.00 C ATOM 130 CD GLN A 12 -10.785 -5.527 -7.717 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.281 -6.315 -8.505 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.468 -4.900 -6.763 1.00 0.00 N ATOM 0 H GLN A 12 -6.718 -7.316 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.631 -5.368 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.434 -7.065 -7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.032 -6.114 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.162 -4.125 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.911 -5.306 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.991 -4.252 -6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.469 -5.067 -6.658 1.00 0.00 H new ATOM 141 N ASP A 13 -7.784 -4.099 -4.705 1.00 0.00 N ATOM 142 CA ASP A 13 -7.917 -2.866 -3.948 1.00 0.00 C ATOM 143 C ASP A 13 -6.559 -2.165 -3.880 1.00 0.00 C ATOM 144 O ASP A 13 -6.431 -1.010 -4.284 1.00 0.00 O ATOM 145 CB ASP A 13 -8.378 -3.145 -2.516 1.00 0.00 C ATOM 146 CG ASP A 13 -9.620 -2.371 -2.073 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.588 -1.127 -2.197 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.575 -3.039 -1.622 1.00 0.00 O ATOM 0 H ASP A 13 -8.202 -4.918 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.656 -2.241 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.579 -4.212 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.560 -2.910 -1.835 1.00 0.00 H new ATOM 153 N PHE A 14 -5.579 -2.892 -3.365 1.00 0.00 N ATOM 154 CA PHE A 14 -4.235 -2.355 -3.238 1.00 0.00 C ATOM 155 C PHE A 14 -3.751 -1.769 -4.566 1.00 0.00 C ATOM 156 O PHE A 14 -3.486 -0.571 -4.660 1.00 0.00 O ATOM 157 CB PHE A 14 -3.323 -3.519 -2.846 1.00 0.00 C ATOM 158 CG PHE A 14 -1.852 -3.129 -2.682 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.394 -2.694 -1.478 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.003 -3.218 -3.741 1.00 0.00 C ATOM 161 CE1 PHE A 14 -0.029 -2.332 -1.326 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.362 -2.857 -3.589 1.00 0.00 C ATOM 163 CZ PHE A 14 0.820 -2.421 -2.385 1.00 0.00 C ATOM 0 H PHE A 14 -5.689 -3.849 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.222 -1.559 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.681 -3.948 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.399 -4.298 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.068 -2.624 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.367 -3.563 -4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.335 -1.986 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.036 -2.929 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.858 -2.145 -2.270 1.00 0.00 H new ATOM 173 N ALA A 15 -3.651 -2.640 -5.559 1.00 0.00 N ATOM 174 CA ALA A 15 -3.204 -2.223 -6.878 1.00 0.00 C ATOM 175 C ALA A 15 -3.925 -0.933 -7.271 1.00 0.00 C ATOM 176 O ALA A 15 -3.286 0.049 -7.649 1.00 0.00 O ATOM 177 CB ALA A 15 -3.445 -3.355 -7.879 1.00 0.00 C ATOM 0 H ALA A 15 -3.872 -3.632 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.134 -2.014 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.110 -3.043 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.888 -4.239 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.509 -3.590 -7.913 1.00 0.00 H new ATOM 183 N VAL A 16 -5.245 -0.975 -7.170 1.00 0.00 N ATOM 184 CA VAL A 16 -6.059 0.179 -7.511 1.00 0.00 C ATOM 185 C VAL A 16 -5.622 1.375 -6.663 1.00 0.00 C ATOM 186 O VAL A 16 -5.464 2.481 -7.178 1.00 0.00 O ATOM 187 CB VAL A 16 -7.542 -0.160 -7.347 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.388 1.112 -7.253 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.029 -1.059 -8.485 1.00 0.00 C ATOM 0 H VAL A 16 -5.771 -1.791 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.915 0.452 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.658 -0.710 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.438 0.843 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.067 1.700 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.263 1.700 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.086 -1.284 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.891 -0.547 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.457 -1.987 -8.486 1.00 0.00 H new ATOM 199 N LEU A 17 -5.438 1.112 -5.377 1.00 0.00 N ATOM 200 CA LEU A 17 -5.022 2.153 -4.453 1.00 0.00 C ATOM 201 C LEU A 17 -3.671 2.715 -4.898 1.00 0.00 C ATOM 202 O LEU A 17 -3.570 3.885 -5.264 1.00 0.00 O ATOM 203 CB LEU A 17 -5.026 1.627 -3.016 1.00 0.00 C ATOM 204 CG LEU A 17 -6.362 1.710 -2.275 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.389 0.751 -1.084 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.670 3.150 -1.858 1.00 0.00 C ATOM 0 H LEU A 17 -5.569 0.193 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.732 2.980 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.705 0.585 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.281 2.182 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.151 1.397 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.350 0.830 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.248 -0.271 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.589 1.009 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.625 3.181 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.882 3.514 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.723 3.782 -2.744 1.00 0.00 H new ATOM 218 N THR A 18 -2.664 1.854 -4.853 1.00 0.00 N ATOM 219 CA THR A 18 -1.323 2.249 -5.247 1.00 0.00 C ATOM 220 C THR A 18 -1.373 3.133 -6.495 1.00 0.00 C ATOM 221 O THR A 18 -0.890 4.265 -6.478 1.00 0.00 O ATOM 222 CB THR A 18 -0.492 0.978 -5.436 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.280 0.174 -6.309 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.392 0.149 -4.154 1.00 0.00 C ATOM 0 H THR A 18 -2.751 0.884 -4.549 1.00 0.00 H new ATOM 0 HA THR A 18 -0.846 2.855 -4.476 1.00 0.00 H new ATOM 0 HB THR A 18 0.509 1.246 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.229 0.371 -6.167 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.208 -0.741 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.078 0.744 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.391 -0.147 -3.834 1.00 0.00 H new ATOM 232 N ALA A 19 -1.961 2.584 -7.547 1.00 0.00 N ATOM 233 CA ALA A 19 -2.079 3.309 -8.801 1.00 0.00 C ATOM 234 C ALA A 19 -2.719 4.674 -8.537 1.00 0.00 C ATOM 235 O ALA A 19 -2.072 5.707 -8.698 1.00 0.00 O ATOM 236 CB ALA A 19 -2.881 2.472 -9.800 1.00 0.00 C ATOM 0 H ALA A 19 -2.361 1.646 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.096 3.485 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.970 3.015 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.370 1.525 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.875 2.279 -9.397 1.00 0.00 H new ATOM 242 N GLU A 20 -3.981 4.632 -8.138 1.00 0.00 N ATOM 243 CA GLU A 20 -4.716 5.853 -7.850 1.00 0.00 C ATOM 244 C GLU A 20 -3.843 6.821 -7.049 1.00 0.00 C ATOM 245 O GLU A 20 -3.685 7.980 -7.429 1.00 0.00 O ATOM 246 CB GLU A 20 -6.019 5.548 -7.109 1.00 0.00 C ATOM 247 CG GLU A 20 -7.146 6.469 -7.579 1.00 0.00 C ATOM 248 CD GLU A 20 -7.617 6.087 -8.984 1.00 0.00 C ATOM 249 OE1 GLU A 20 -6.848 6.355 -9.932 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.735 5.537 -9.077 1.00 0.00 O ATOM 0 H GLU A 20 -4.514 3.772 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.978 6.328 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.301 4.508 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.869 5.670 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.983 6.410 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.801 7.503 -7.576 1.00 0.00 H new ATOM 257 N ILE A 21 -3.299 6.310 -5.954 1.00 0.00 N ATOM 258 CA ILE A 21 -2.447 7.114 -5.096 1.00 0.00 C ATOM 259 C ILE A 21 -1.312 7.715 -5.929 1.00 0.00 C ATOM 260 O ILE A 21 -1.149 8.933 -5.975 1.00 0.00 O ATOM 261 CB ILE A 21 -1.962 6.293 -3.899 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.110 6.011 -2.927 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.780 6.975 -3.208 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.642 5.131 -1.767 1.00 0.00 C ATOM 0 H ILE A 21 -3.432 5.348 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.010 7.947 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.607 5.330 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.503 6.951 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.926 5.518 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.455 6.370 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.043 7.081 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.084 7.960 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.477 4.946 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.273 4.182 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.843 5.637 -1.226 1.00 0.00 H new ATOM 276 N THR A 22 -0.559 6.832 -6.567 1.00 0.00 N ATOM 277 CA THR A 22 0.555 7.259 -7.396 1.00 0.00 C ATOM 278 C THR A 22 0.167 8.490 -8.218 1.00 0.00 C ATOM 279 O THR A 22 0.900 9.477 -8.248 1.00 0.00 O ATOM 280 CB THR A 22 0.991 6.069 -8.254 1.00 0.00 C ATOM 281 OG1 THR A 22 2.400 5.994 -8.054 1.00 0.00 O ATOM 282 CG2 THR A 22 0.840 6.340 -9.752 1.00 0.00 C ATOM 0 H THR A 22 -0.698 5.822 -6.527 1.00 0.00 H new ATOM 0 HA THR A 22 1.405 7.567 -6.787 1.00 0.00 H new ATOM 0 HB THR A 22 0.403 5.192 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.765 5.247 -8.573 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.163 5.464 -10.315 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.205 6.553 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.454 7.197 -10.030 1.00 0.00 H new ATOM 290 N SER A 23 -0.985 8.391 -8.864 1.00 0.00 N ATOM 291 CA SER A 23 -1.480 9.484 -9.684 1.00 0.00 C ATOM 292 C SER A 23 -1.629 10.748 -8.836 1.00 0.00 C ATOM 293 O SER A 23 -1.011 11.771 -9.126 1.00 0.00 O ATOM 294 CB SER A 23 -2.815 9.122 -10.337 1.00 0.00 C ATOM 295 OG SER A 23 -2.799 7.811 -10.895 1.00 0.00 O ATOM 0 H SER A 23 -1.590 7.571 -8.836 1.00 0.00 H new ATOM 0 HA SER A 23 -0.757 9.670 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.611 9.191 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.044 9.846 -11.119 1.00 0.00 H new ATOM 0 HG SER A 23 -3.670 7.617 -11.301 1.00 0.00 H new ATOM 301 N LYS A 24 -2.453 10.636 -7.804 1.00 0.00 N ATOM 302 CA LYS A 24 -2.692 11.758 -6.912 1.00 0.00 C ATOM 303 C LYS A 24 -1.351 12.306 -6.419 1.00 0.00 C ATOM 304 O LYS A 24 -1.187 13.517 -6.276 1.00 0.00 O ATOM 305 CB LYS A 24 -3.642 11.352 -5.784 1.00 0.00 C ATOM 306 CG LYS A 24 -5.090 11.304 -6.277 1.00 0.00 C ATOM 307 CD LYS A 24 -5.742 9.963 -5.934 1.00 0.00 C ATOM 308 CE LYS A 24 -7.250 10.006 -6.187 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.530 10.139 -7.634 1.00 0.00 N ATOM 0 H LYS A 24 -2.963 9.786 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.192 12.568 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.354 10.375 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.558 12.061 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.659 12.116 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.116 11.460 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.292 9.172 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.552 9.719 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.715 9.098 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.691 10.844 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.487 9.785 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.465 11.140 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.835 9.585 -8.174 1.00 0.00 H new ATOM 323 N ILE A 25 -0.427 11.389 -6.174 1.00 0.00 N ATOM 324 CA ILE A 25 0.894 11.765 -5.700 1.00 0.00 C ATOM 325 C ILE A 25 1.580 12.636 -6.754 1.00 0.00 C ATOM 326 O ILE A 25 2.413 13.478 -6.422 1.00 0.00 O ATOM 327 CB ILE A 25 1.697 10.523 -5.311 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.168 9.911 -4.012 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.192 10.841 -5.227 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.651 8.469 -3.848 1.00 0.00 C ATOM 0 H ILE A 25 -0.567 10.386 -6.295 1.00 0.00 H new ATOM 0 HA ILE A 25 0.817 12.363 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 25 1.569 9.775 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.500 10.508 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.078 9.935 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.740 9.941 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.544 11.195 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.358 11.614 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.261 8.058 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.297 7.869 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.741 8.451 -3.824 1.00 0.00 H new ATOM 342 N ALA A 26 1.204 12.404 -8.003 1.00 0.00 N ATOM 343 CA ALA A 26 1.772 13.157 -9.108 1.00 0.00 C ATOM 344 C ALA A 26 0.969 14.443 -9.310 1.00 0.00 C ATOM 345 O ALA A 26 1.409 15.350 -10.015 1.00 0.00 O ATOM 346 CB ALA A 26 1.797 12.282 -10.363 1.00 0.00 C ATOM 0 H ALA A 26 0.513 11.705 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 26 2.801 13.442 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.223 12.847 -11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.405 11.396 -10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.781 11.978 -10.615 1.00 0.00 H new ATOM 352 N ARG A 27 -0.195 14.481 -8.678 1.00 0.00 N ATOM 353 CA ARG A 27 -1.064 15.642 -8.779 1.00 0.00 C ATOM 354 C ARG A 27 -0.831 16.584 -7.596 1.00 0.00 C ATOM 355 O ARG A 27 -1.212 17.752 -7.644 1.00 0.00 O ATOM 356 CB ARG A 27 -2.536 15.226 -8.811 1.00 0.00 C ATOM 357 CG ARG A 27 -3.020 15.031 -10.249 1.00 0.00 C ATOM 358 CD ARG A 27 -4.513 15.342 -10.372 1.00 0.00 C ATOM 359 NE ARG A 27 -5.022 14.873 -11.680 1.00 0.00 N ATOM 360 CZ ARG A 27 -6.322 14.779 -11.990 1.00 0.00 C ATOM 361 NH1 ARG A 27 -7.253 15.120 -11.089 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.691 14.343 -13.202 1.00 0.00 N ATOM 0 H ARG A 27 -0.557 13.727 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.824 16.157 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.668 14.301 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.143 15.986 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.454 15.679 -10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.832 14.005 -10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.061 14.857 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.679 16.415 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.341 14.605 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.972 15.452 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.242 15.048 -11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.982 14.083 -13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.681 14.271 -13.439 1.00 0.00 H new ATOM 376 N VAL A 28 -0.208 16.039 -6.562 1.00 0.00 N ATOM 377 CA VAL A 28 0.080 16.816 -5.368 1.00 0.00 C ATOM 378 C VAL A 28 0.838 18.086 -5.761 1.00 0.00 C ATOM 379 O VAL A 28 0.447 19.189 -5.382 1.00 0.00 O ATOM 380 CB VAL A 28 0.838 15.957 -4.354 1.00 0.00 C ATOM 381 CG1 VAL A 28 1.995 16.740 -3.729 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.105 15.419 -3.277 1.00 0.00 C ATOM 0 H VAL A 28 0.105 15.069 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.845 17.127 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 28 1.259 15.104 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.517 16.107 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.688 17.051 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.605 17.620 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.460 14.812 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.569 16.253 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.878 14.808 -3.743 1.00 0.00 H new ATOM 392 N PRO A 29 1.936 17.883 -6.537 1.00 0.00 N ATOM 393 CA PRO A 29 2.752 18.998 -6.986 1.00 0.00 C ATOM 394 C PRO A 29 2.057 19.768 -8.111 1.00 0.00 C ATOM 395 O PRO A 29 2.597 20.747 -8.624 1.00 0.00 O ATOM 396 CB PRO A 29 4.068 18.373 -7.419 1.00 0.00 C ATOM 397 CG PRO A 29 3.778 16.897 -7.634 1.00 0.00 C ATOM 398 CD PRO A 29 2.428 16.591 -7.006 1.00 0.00 C ATOM 0 HA PRO A 29 2.917 19.740 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.438 18.836 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.836 18.513 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.766 16.661 -8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.558 16.285 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.746 16.147 -7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.525 15.882 -6.184 1.00 0.00 H new ATOM 406 N ARG A 30 0.869 19.296 -8.462 1.00 0.00 N ATOM 407 CA ARG A 30 0.095 19.928 -9.517 1.00 0.00 C ATOM 408 C ARG A 30 -1.256 20.399 -8.974 1.00 0.00 C ATOM 409 O ARG A 30 -2.129 20.804 -9.740 1.00 0.00 O ATOM 410 CB ARG A 30 -0.139 18.964 -10.681 1.00 0.00 C ATOM 411 CG ARG A 30 1.175 18.634 -11.392 1.00 0.00 C ATOM 412 CD ARG A 30 1.003 17.441 -12.335 1.00 0.00 C ATOM 413 NE ARG A 30 0.552 17.909 -13.665 1.00 0.00 N ATOM 414 CZ ARG A 30 0.161 17.095 -14.655 1.00 0.00 C ATOM 415 NH1 ARG A 30 0.164 15.768 -14.472 1.00 0.00 N ATOM 416 NH2 ARG A 30 -0.232 17.608 -15.829 1.00 0.00 N ATOM 0 H ARG A 30 0.424 18.484 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 30 0.664 20.785 -9.879 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.597 18.047 -10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.839 19.407 -11.390 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.515 19.502 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.946 18.411 -10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.946 16.903 -12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.277 16.741 -11.921 1.00 0.00 H new ATOM 0 HE ARG A 30 0.538 18.914 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.464 15.377 -13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.134 15.149 -15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.234 18.618 -15.969 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.530 16.988 -16.582 1.00 0.00 H new ATOM 430 N LEU A 31 -1.385 20.331 -7.657 1.00 0.00 N ATOM 431 CA LEU A 31 -2.615 20.745 -7.003 1.00 0.00 C ATOM 432 C LEU A 31 -2.346 22.000 -6.170 1.00 0.00 C ATOM 433 O LEU A 31 -1.208 22.260 -5.782 1.00 0.00 O ATOM 434 CB LEU A 31 -3.210 19.588 -6.198 1.00 0.00 C ATOM 435 CG LEU A 31 -3.936 18.512 -7.008 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.078 17.220 -6.200 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.287 19.024 -7.512 1.00 0.00 C ATOM 0 H LEU A 31 -0.658 19.995 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.370 21.009 -7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.407 19.112 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.908 20.000 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.332 18.279 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.597 16.472 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.089 16.848 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.649 17.419 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.783 18.240 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.911 19.302 -6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.132 19.895 -8.148 1.00 0.00 H new ATOM 449 N PRO A 32 -3.441 22.764 -5.912 1.00 0.00 N ATOM 450 CA PRO A 32 -3.335 23.985 -5.132 1.00 0.00 C ATOM 451 C PRO A 32 -3.161 23.672 -3.644 1.00 0.00 C ATOM 452 O PRO A 32 -3.273 22.518 -3.232 1.00 0.00 O ATOM 453 CB PRO A 32 -4.611 24.755 -5.431 1.00 0.00 C ATOM 454 CG PRO A 32 -5.589 23.738 -5.997 1.00 0.00 C ATOM 455 CD PRO A 32 -4.805 22.486 -6.356 1.00 0.00 C ATOM 0 HA PRO A 32 -2.458 24.576 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.008 25.218 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.425 25.557 -6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.364 23.506 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.090 24.140 -6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.213 21.607 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.841 22.290 -7.428 1.00 0.00 H new ATOM 463 N PRO A 33 -2.883 24.747 -2.859 1.00 0.00 N ATOM 464 CA PRO A 33 -2.693 24.598 -1.427 1.00 0.00 C ATOM 465 C PRO A 33 -4.030 24.381 -0.715 1.00 0.00 C ATOM 466 O PRO A 33 -4.077 24.285 0.510 1.00 0.00 O ATOM 467 CB PRO A 33 -1.987 25.871 -0.989 1.00 0.00 C ATOM 468 CG PRO A 33 -2.224 26.882 -2.100 1.00 0.00 C ATOM 469 CD PRO A 33 -2.744 26.127 -3.313 1.00 0.00 C ATOM 0 HA PRO A 33 -2.099 23.720 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.385 26.232 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.921 25.696 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.944 27.637 -1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.300 27.406 -2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.698 26.531 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.052 26.200 -4.152 1.00 0.00 H new ATOM 477 N ASP A 34 -5.084 24.310 -1.515 1.00 0.00 N ATOM 478 CA ASP A 34 -6.419 24.105 -0.977 1.00 0.00 C ATOM 479 C ASP A 34 -6.776 22.620 -1.060 1.00 0.00 C ATOM 480 O ASP A 34 -7.352 22.064 -0.127 1.00 0.00 O ATOM 481 CB ASP A 34 -7.461 24.888 -1.778 1.00 0.00 C ATOM 482 CG ASP A 34 -7.643 26.346 -1.352 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.680 27.119 -1.548 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.741 26.655 -0.841 1.00 0.00 O ATOM 0 H ASP A 34 -5.041 24.391 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.423 24.452 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.180 24.865 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.421 24.378 -1.693 1.00 0.00 H new ATOM 489 N GLU A 35 -6.418 22.020 -2.186 1.00 0.00 N ATOM 490 CA GLU A 35 -6.693 20.610 -2.403 1.00 0.00 C ATOM 491 C GLU A 35 -5.463 19.770 -2.057 1.00 0.00 C ATOM 492 O GLU A 35 -5.587 18.602 -1.691 1.00 0.00 O ATOM 493 CB GLU A 35 -7.144 20.355 -3.843 1.00 0.00 C ATOM 494 CG GLU A 35 -8.525 20.961 -4.100 1.00 0.00 C ATOM 495 CD GLU A 35 -9.618 19.893 -4.011 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.643 19.031 -4.916 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.402 19.963 -3.041 1.00 0.00 O ATOM 0 H GLU A 35 -5.940 22.485 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.508 20.313 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.420 20.784 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.172 19.282 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.721 21.749 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.545 21.425 -5.086 1.00 0.00 H new ATOM 504 N LYS A 36 -4.302 20.396 -2.184 1.00 0.00 N ATOM 505 CA LYS A 36 -3.050 19.720 -1.889 1.00 0.00 C ATOM 506 C LYS A 36 -3.042 19.289 -0.421 1.00 0.00 C ATOM 507 O LYS A 36 -2.771 18.130 -0.113 1.00 0.00 O ATOM 508 CB LYS A 36 -1.861 20.602 -2.278 1.00 0.00 C ATOM 509 CG LYS A 36 -0.537 19.928 -1.911 1.00 0.00 C ATOM 510 CD LYS A 36 0.646 20.668 -2.539 1.00 0.00 C ATOM 511 CE LYS A 36 1.969 20.204 -1.927 1.00 0.00 C ATOM 512 NZ LYS A 36 2.974 21.289 -1.980 1.00 0.00 N ATOM 0 H LYS A 36 -4.202 21.365 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.955 18.814 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.887 20.802 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.936 21.564 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.424 19.907 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.545 18.892 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.658 20.495 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.529 21.741 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.810 19.898 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.339 19.331 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.904 20.915 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.027 21.667 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.699 22.049 -1.326 1.00 0.00 H new ATOM 526 N LYS A 37 -3.343 20.245 0.445 1.00 0.00 N ATOM 527 CA LYS A 37 -3.374 19.979 1.873 1.00 0.00 C ATOM 528 C LYS A 37 -4.166 18.695 2.131 1.00 0.00 C ATOM 529 O LYS A 37 -3.686 17.791 2.813 1.00 0.00 O ATOM 530 CB LYS A 37 -3.908 21.194 2.634 1.00 0.00 C ATOM 531 CG LYS A 37 -2.886 21.693 3.657 1.00 0.00 C ATOM 532 CD LYS A 37 -2.262 23.016 3.209 1.00 0.00 C ATOM 533 CE LYS A 37 -0.737 22.912 3.152 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.181 22.687 4.505 1.00 0.00 N ATOM 0 H LYS A 37 -3.568 21.205 0.185 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.365 19.814 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.144 21.993 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.836 20.931 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.370 21.824 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.104 20.945 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.648 23.290 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.550 23.810 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.447 22.094 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.320 23.826 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.836 22.903 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.665 23.306 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.323 21.694 4.778 1.00 0.00 H new ATOM 548 N GLN A 38 -5.367 18.657 1.572 1.00 0.00 N ATOM 549 CA GLN A 38 -6.230 17.499 1.733 1.00 0.00 C ATOM 550 C GLN A 38 -5.670 16.307 0.954 1.00 0.00 C ATOM 551 O GLN A 38 -5.641 15.187 1.463 1.00 0.00 O ATOM 552 CB GLN A 38 -7.661 17.817 1.295 1.00 0.00 C ATOM 553 CG GLN A 38 -8.285 18.886 2.194 1.00 0.00 C ATOM 554 CD GLN A 38 -8.477 20.199 1.434 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.900 20.228 0.290 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.144 21.282 2.131 1.00 0.00 N ATOM 0 H GLN A 38 -5.762 19.409 1.008 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.259 17.236 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.660 18.162 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.265 16.910 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.246 18.535 2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.647 19.054 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.796 21.187 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.237 22.207 1.711 1.00 0.00 H new ATOM 565 N MET A 39 -5.241 16.588 -0.267 1.00 0.00 N ATOM 566 CA MET A 39 -4.684 15.553 -1.121 1.00 0.00 C ATOM 567 C MET A 39 -3.506 14.854 -0.439 1.00 0.00 C ATOM 568 O MET A 39 -3.485 13.628 -0.331 1.00 0.00 O ATOM 569 CB MET A 39 -4.214 16.175 -2.438 1.00 0.00 C ATOM 570 CG MET A 39 -3.664 15.106 -3.384 1.00 0.00 C ATOM 571 SD MET A 39 -4.857 13.792 -3.580 1.00 0.00 S ATOM 572 CE MET A 39 -5.726 14.376 -5.026 1.00 0.00 C ATOM 0 H MET A 39 -5.268 17.518 -0.686 1.00 0.00 H new ATOM 0 HA MET A 39 -5.460 14.812 -1.315 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.044 16.695 -2.915 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.444 16.920 -2.238 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.436 15.549 -4.353 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.730 14.705 -2.989 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.670 13.840 -5.124 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.923 15.443 -4.926 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.116 14.201 -5.912 1.00 0.00 H new ATOM 582 N VAL A 40 -2.556 15.662 0.005 1.00 0.00 N ATOM 583 CA VAL A 40 -1.378 15.137 0.674 1.00 0.00 C ATOM 584 C VAL A 40 -1.814 14.266 1.855 1.00 0.00 C ATOM 585 O VAL A 40 -1.040 13.445 2.344 1.00 0.00 O ATOM 586 CB VAL A 40 -0.454 16.284 1.086 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.597 15.808 2.091 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.206 16.923 -0.137 1.00 0.00 C ATOM 0 H VAL A 40 -2.578 16.678 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.805 14.504 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.063 17.045 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.241 16.643 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.101 15.423 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.199 15.019 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.858 17.736 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.794 16.173 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.563 17.316 -0.802 1.00 0.00 H new ATOM 598 N ALA A 41 -3.051 14.476 2.279 1.00 0.00 N ATOM 599 CA ALA A 41 -3.599 13.721 3.392 1.00 0.00 C ATOM 600 C ALA A 41 -4.387 12.525 2.854 1.00 0.00 C ATOM 601 O ALA A 41 -4.321 11.432 3.414 1.00 0.00 O ATOM 602 CB ALA A 41 -4.459 14.642 4.260 1.00 0.00 C ATOM 0 H ALA A 41 -3.690 15.159 1.871 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.799 13.332 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.870 14.075 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.846 15.458 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.274 15.049 3.662 1.00 0.00 H new ATOM 608 N ASN A 42 -5.113 12.773 1.774 1.00 0.00 N ATOM 609 CA ASN A 42 -5.912 11.730 1.154 1.00 0.00 C ATOM 610 C ASN A 42 -5.011 10.545 0.801 1.00 0.00 C ATOM 611 O ASN A 42 -5.421 9.391 0.921 1.00 0.00 O ATOM 612 CB ASN A 42 -6.563 12.229 -0.138 1.00 0.00 C ATOM 613 CG ASN A 42 -7.972 11.655 -0.299 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.722 11.505 0.652 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.288 11.343 -1.552 1.00 0.00 N ATOM 0 H ASN A 42 -5.165 13.681 1.312 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.689 11.437 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.609 13.318 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.950 11.943 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.206 10.952 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.612 11.494 -2.301 1.00 0.00 H new ATOM 622 N VAL A 43 -3.800 10.870 0.373 1.00 0.00 N ATOM 623 CA VAL A 43 -2.837 9.847 0.002 1.00 0.00 C ATOM 624 C VAL A 43 -2.341 9.138 1.264 1.00 0.00 C ATOM 625 O VAL A 43 -2.072 7.938 1.241 1.00 0.00 O ATOM 626 CB VAL A 43 -1.705 10.466 -0.819 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.536 9.490 -0.965 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.209 10.926 -2.189 1.00 0.00 C ATOM 0 H VAL A 43 -3.463 11.828 0.275 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.306 9.094 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.344 11.343 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.255 9.955 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.151 9.233 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.878 8.585 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.384 11.362 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.610 10.072 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.993 11.672 -2.057 1.00 0.00 H new ATOM 638 N GLU A 44 -2.237 9.910 2.336 1.00 0.00 N ATOM 639 CA GLU A 44 -1.778 9.370 3.605 1.00 0.00 C ATOM 640 C GLU A 44 -2.718 8.261 4.080 1.00 0.00 C ATOM 641 O GLU A 44 -2.291 7.330 4.762 1.00 0.00 O ATOM 642 CB GLU A 44 -1.656 10.474 4.657 1.00 0.00 C ATOM 643 CG GLU A 44 -0.440 11.361 4.383 1.00 0.00 C ATOM 644 CD GLU A 44 0.539 11.328 5.559 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.708 10.227 6.126 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.096 12.405 5.864 1.00 0.00 O ATOM 0 H GLU A 44 -2.463 10.905 2.352 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.787 8.941 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.561 11.082 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.570 10.029 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.063 11.024 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.766 12.386 4.205 1.00 0.00 H new ATOM 653 N LYS A 45 -3.981 8.396 3.702 1.00 0.00 N ATOM 654 CA LYS A 45 -4.984 7.416 4.082 1.00 0.00 C ATOM 655 C LYS A 45 -4.891 6.208 3.147 1.00 0.00 C ATOM 656 O LYS A 45 -4.662 5.087 3.598 1.00 0.00 O ATOM 657 CB LYS A 45 -6.373 8.059 4.120 1.00 0.00 C ATOM 658 CG LYS A 45 -6.988 7.952 5.516 1.00 0.00 C ATOM 659 CD LYS A 45 -6.169 8.742 6.538 1.00 0.00 C ATOM 660 CE LYS A 45 -6.467 8.271 7.963 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.997 9.387 8.778 1.00 0.00 N ATOM 0 H LYS A 45 -4.332 9.169 3.137 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.798 7.052 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.301 9.107 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.023 7.572 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.011 8.327 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.038 6.905 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.106 8.624 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.396 9.804 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.190 7.455 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.559 7.879 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.194 9.050 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.295 10.153 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.875 9.743 8.350 1.00 0.00 H new ATOM 675 N GLN A 46 -5.074 6.479 1.863 1.00 0.00 N ATOM 676 CA GLN A 46 -5.013 5.428 0.861 1.00 0.00 C ATOM 677 C GLN A 46 -3.710 4.637 1.000 1.00 0.00 C ATOM 678 O GLN A 46 -3.653 3.461 0.644 1.00 0.00 O ATOM 679 CB GLN A 46 -5.156 6.005 -0.548 1.00 0.00 C ATOM 680 CG GLN A 46 -6.498 6.722 -0.714 1.00 0.00 C ATOM 681 CD GLN A 46 -7.614 5.727 -1.039 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.998 5.537 -2.181 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.111 5.104 0.026 1.00 0.00 N ATOM 0 H GLN A 46 -5.264 7.410 1.494 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.848 4.747 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.341 6.702 -0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.074 5.204 -1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.742 7.261 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.423 7.463 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.744 5.310 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.859 4.420 -0.086 1.00 0.00 H new ATOM 692 N LEU A 47 -2.696 5.314 1.518 1.00 0.00 N ATOM 693 CA LEU A 47 -1.398 4.690 1.708 1.00 0.00 C ATOM 694 C LEU A 47 -1.458 3.759 2.921 1.00 0.00 C ATOM 695 O LEU A 47 -1.231 2.556 2.797 1.00 0.00 O ATOM 696 CB LEU A 47 -0.301 5.752 1.801 1.00 0.00 C ATOM 697 CG LEU A 47 0.259 6.256 0.470 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.211 7.434 0.686 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.923 5.119 -0.311 1.00 0.00 C ATOM 0 H LEU A 47 -2.747 6.289 1.812 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.141 4.075 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.695 6.605 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.522 5.345 2.388 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.572 6.620 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.595 7.773 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.676 8.250 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.042 7.119 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.313 5.504 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.741 4.703 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.189 4.339 -0.514 1.00 0.00 H new ATOM 711 N GLU A 48 -1.765 4.350 4.066 1.00 0.00 N ATOM 712 CA GLU A 48 -1.857 3.589 5.300 1.00 0.00 C ATOM 713 C GLU A 48 -2.902 2.480 5.163 1.00 0.00 C ATOM 714 O GLU A 48 -2.827 1.463 5.851 1.00 0.00 O ATOM 715 CB GLU A 48 -2.180 4.502 6.485 1.00 0.00 C ATOM 716 CG GLU A 48 -3.685 4.753 6.590 1.00 0.00 C ATOM 717 CD GLU A 48 -4.017 5.585 7.830 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.110 6.315 8.283 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.171 5.473 8.297 1.00 0.00 O ATOM 0 H GLU A 48 -1.953 5.348 4.165 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.888 3.128 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.818 4.048 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.657 5.451 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.034 5.270 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.214 3.801 6.634 1.00 0.00 H new ATOM 726 N GLU A 49 -3.852 2.713 4.269 1.00 0.00 N ATOM 727 CA GLU A 49 -4.910 1.746 4.033 1.00 0.00 C ATOM 728 C GLU A 49 -4.366 0.540 3.264 1.00 0.00 C ATOM 729 O GLU A 49 -4.856 -0.576 3.425 1.00 0.00 O ATOM 730 CB GLU A 49 -6.083 2.387 3.288 1.00 0.00 C ATOM 731 CG GLU A 49 -6.782 3.431 4.162 1.00 0.00 C ATOM 732 CD GLU A 49 -8.238 3.039 4.425 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.489 1.818 4.517 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.066 3.970 4.528 1.00 0.00 O ATOM 0 H GLU A 49 -3.911 3.557 3.700 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.280 1.400 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.724 2.856 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.796 1.617 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.252 3.532 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.746 4.404 3.672 1.00 0.00 H new ATOM 741 N ALA A 50 -3.360 0.807 2.444 1.00 0.00 N ATOM 742 CA ALA A 50 -2.744 -0.242 1.649 1.00 0.00 C ATOM 743 C ALA A 50 -1.670 -0.943 2.483 1.00 0.00 C ATOM 744 O ALA A 50 -1.340 -2.101 2.230 1.00 0.00 O ATOM 745 CB ALA A 50 -2.181 0.358 0.359 1.00 0.00 C ATOM 0 H ALA A 50 -2.956 1.734 2.313 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.482 -0.991 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.719 -0.429 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.988 0.818 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.434 1.113 0.605 1.00 0.00 H new ATOM 751 N ARG A 51 -1.154 -0.212 3.461 1.00 0.00 N ATOM 752 CA ARG A 51 -0.124 -0.749 4.333 1.00 0.00 C ATOM 753 C ARG A 51 -0.625 -2.017 5.028 1.00 0.00 C ATOM 754 O ARG A 51 0.120 -2.985 5.174 1.00 0.00 O ATOM 755 CB ARG A 51 0.290 0.275 5.392 1.00 0.00 C ATOM 756 CG ARG A 51 1.273 1.295 4.814 1.00 0.00 C ATOM 757 CD ARG A 51 2.507 1.435 5.708 1.00 0.00 C ATOM 758 NE ARG A 51 3.586 0.546 5.224 1.00 0.00 N ATOM 759 CZ ARG A 51 4.861 0.623 5.630 1.00 0.00 C ATOM 760 NH1 ARG A 51 5.224 1.548 6.529 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.773 -0.226 5.137 1.00 0.00 N ATOM 0 H ARG A 51 -1.431 0.748 3.668 1.00 0.00 H new ATOM 0 HA ARG A 51 0.742 -0.987 3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.593 0.790 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.747 -0.237 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.577 0.986 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.781 2.262 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.850 2.470 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.251 1.183 6.737 1.00 0.00 H new ATOM 0 HE ARG A 51 3.345 -0.170 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.530 2.194 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.194 1.606 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.497 -0.930 4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.743 -0.168 5.446 1.00 0.00 H new ATOM 775 N GLU A 52 -1.884 -1.971 5.438 1.00 0.00 N ATOM 776 CA GLU A 52 -2.493 -3.104 6.113 1.00 0.00 C ATOM 777 C GLU A 52 -2.652 -4.277 5.145 1.00 0.00 C ATOM 778 O GLU A 52 -2.549 -5.436 5.545 1.00 0.00 O ATOM 779 CB GLU A 52 -3.839 -2.716 6.730 1.00 0.00 C ATOM 780 CG GLU A 52 -4.938 -2.677 5.666 1.00 0.00 C ATOM 781 CD GLU A 52 -5.717 -3.994 5.635 1.00 0.00 C ATOM 782 OE1 GLU A 52 -5.060 -5.046 5.791 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.951 -3.919 5.455 1.00 0.00 O ATOM 0 H GLU A 52 -2.499 -1.167 5.316 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.834 -3.415 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.106 -3.431 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.756 -1.740 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.620 -1.852 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.496 -2.489 4.688 1.00 0.00 H new ATOM 790 N LEU A 53 -2.899 -3.937 3.888 1.00 0.00 N ATOM 791 CA LEU A 53 -3.073 -4.948 2.859 1.00 0.00 C ATOM 792 C LEU A 53 -1.840 -5.853 2.827 1.00 0.00 C ATOM 793 O LEU A 53 -1.950 -7.064 3.012 1.00 0.00 O ATOM 794 CB LEU A 53 -3.391 -4.293 1.513 1.00 0.00 C ATOM 795 CG LEU A 53 -4.853 -4.351 1.068 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.272 -3.044 0.392 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.107 -5.566 0.174 1.00 0.00 C ATOM 0 H LEU A 53 -2.983 -2.975 3.559 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.929 -5.583 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.087 -3.247 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.779 -4.769 0.746 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.475 -4.469 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.316 -3.111 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.152 -2.217 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.647 -2.871 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.154 -5.583 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.475 -5.504 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.873 -6.478 0.724 1.00 0.00 H new ATOM 809 N LEU A 54 -0.694 -5.231 2.590 1.00 0.00 N ATOM 810 CA LEU A 54 0.558 -5.966 2.531 1.00 0.00 C ATOM 811 C LEU A 54 0.672 -6.870 3.759 1.00 0.00 C ATOM 812 O LEU A 54 1.229 -7.964 3.679 1.00 0.00 O ATOM 813 CB LEU A 54 1.736 -5.004 2.364 1.00 0.00 C ATOM 814 CG LEU A 54 1.752 -4.180 1.074 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.184 -3.832 0.664 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.993 -4.898 -0.044 1.00 0.00 C ATOM 0 H LEU A 54 -0.607 -4.226 2.437 1.00 0.00 H new ATOM 0 HA LEU A 54 0.579 -6.614 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.741 -4.317 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.660 -5.580 2.415 1.00 0.00 H new ATOM 0 HG LEU A 54 1.234 -3.240 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.167 -3.247 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.658 -3.251 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.749 -4.750 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.019 -4.292 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.461 -5.863 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.042 -5.052 0.260 1.00 0.00 H new ATOM 828 N GLU A 55 0.135 -6.380 4.867 1.00 0.00 N ATOM 829 CA GLU A 55 0.170 -7.131 6.111 1.00 0.00 C ATOM 830 C GLU A 55 -0.732 -8.363 6.013 1.00 0.00 C ATOM 831 O GLU A 55 -0.304 -9.476 6.313 1.00 0.00 O ATOM 832 CB GLU A 55 -0.232 -6.249 7.295 1.00 0.00 C ATOM 833 CG GLU A 55 0.913 -6.127 8.302 1.00 0.00 C ATOM 834 CD GLU A 55 0.411 -6.342 9.731 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.767 -6.005 9.976 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.218 -6.838 10.547 1.00 0.00 O ATOM 0 H GLU A 55 -0.327 -5.473 4.929 1.00 0.00 H new ATOM 0 HA GLU A 55 1.193 -7.467 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.513 -5.259 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.109 -6.671 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.686 -6.860 8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.372 -5.142 8.218 1.00 0.00 H new ATOM 843 N GLN A 56 -1.965 -8.122 5.591 1.00 0.00 N ATOM 844 CA GLN A 56 -2.931 -9.198 5.449 1.00 0.00 C ATOM 845 C GLN A 56 -2.505 -10.150 4.331 1.00 0.00 C ATOM 846 O GLN A 56 -2.588 -11.368 4.482 1.00 0.00 O ATOM 847 CB GLN A 56 -4.334 -8.644 5.193 1.00 0.00 C ATOM 848 CG GLN A 56 -4.861 -7.895 6.419 1.00 0.00 C ATOM 849 CD GLN A 56 -5.193 -8.867 7.553 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.302 -9.360 7.678 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.174 -9.113 8.371 1.00 0.00 N ATOM 0 H GLN A 56 -2.317 -7.197 5.343 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.962 -9.758 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.313 -7.973 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.011 -9.461 4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.116 -7.175 6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.752 -7.328 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.271 -8.667 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.295 -9.748 9.160 1.00 0.00 H new ATOM 860 N MET A 57 -2.057 -9.560 3.232 1.00 0.00 N ATOM 861 CA MET A 57 -1.617 -10.341 2.089 1.00 0.00 C ATOM 862 C MET A 57 -0.442 -11.246 2.462 1.00 0.00 C ATOM 863 O MET A 57 -0.383 -12.400 2.038 1.00 0.00 O ATOM 864 CB MET A 57 -1.197 -9.399 0.958 1.00 0.00 C ATOM 865 CG MET A 57 -2.405 -8.650 0.391 1.00 0.00 C ATOM 866 SD MET A 57 -2.088 -8.171 -1.299 1.00 0.00 S ATOM 867 CE MET A 57 -1.426 -6.534 -1.039 1.00 0.00 C ATOM 0 H MET A 57 -1.989 -8.550 3.109 1.00 0.00 H new ATOM 0 HA MET A 57 -2.445 -10.970 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.463 -8.684 1.329 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.714 -9.970 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.291 -9.283 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.612 -7.767 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.181 -5.791 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.143 -6.418 0.007 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.549 -6.392 -1.670 1.00 0.00 H new ATOM 877 N ASP A 58 0.464 -10.690 3.252 1.00 0.00 N ATOM 878 CA ASP A 58 1.634 -11.433 3.688 1.00 0.00 C ATOM 879 C ASP A 58 1.222 -12.440 4.764 1.00 0.00 C ATOM 880 O ASP A 58 1.755 -13.548 4.819 1.00 0.00 O ATOM 881 CB ASP A 58 2.686 -10.500 4.292 1.00 0.00 C ATOM 882 CG ASP A 58 4.044 -11.149 4.569 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.034 -12.315 5.020 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.060 -10.465 4.323 1.00 0.00 O ATOM 0 H ASP A 58 0.412 -9.733 3.602 1.00 0.00 H new ATOM 0 HA ASP A 58 2.056 -11.937 2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.834 -9.658 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.297 -10.094 5.226 1.00 0.00 H new ATOM 889 N LEU A 59 0.278 -12.020 5.592 1.00 0.00 N ATOM 890 CA LEU A 59 -0.212 -12.871 6.663 1.00 0.00 C ATOM 891 C LEU A 59 -1.066 -13.992 6.067 1.00 0.00 C ATOM 892 O LEU A 59 -1.482 -14.905 6.779 1.00 0.00 O ATOM 893 CB LEU A 59 -0.940 -12.038 7.719 1.00 0.00 C ATOM 894 CG LEU A 59 -0.073 -11.485 8.852 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.656 -10.182 9.403 1.00 0.00 C ATOM 896 CD2 LEU A 59 0.128 -12.532 9.950 1.00 0.00 C ATOM 0 H LEU A 59 -0.161 -11.101 5.543 1.00 0.00 H new ATOM 0 HA LEU A 59 0.620 -13.346 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.428 -11.201 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.728 -12.651 8.157 1.00 0.00 H new ATOM 0 HG LEU A 59 0.911 -11.251 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.021 -9.810 10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.705 -9.440 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.659 -10.366 9.789 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.748 -12.113 10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.840 -12.820 10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.620 -13.410 9.530 1.00 0.00 H new ATOM 908 N GLU A 60 -1.303 -13.885 4.768 1.00 0.00 N ATOM 909 CA GLU A 60 -2.100 -14.879 4.069 1.00 0.00 C ATOM 910 C GLU A 60 -1.209 -15.739 3.171 1.00 0.00 C ATOM 911 O GLU A 60 -1.310 -16.965 3.181 1.00 0.00 O ATOM 912 CB GLU A 60 -3.216 -14.215 3.260 1.00 0.00 C ATOM 913 CG GLU A 60 -4.326 -13.698 4.177 1.00 0.00 C ATOM 914 CD GLU A 60 -5.590 -14.550 4.044 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.989 -14.795 2.885 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.128 -14.937 5.104 1.00 0.00 O ATOM 0 H GLU A 60 -0.957 -13.126 4.181 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.568 -15.527 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.806 -13.389 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.630 -14.931 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.983 -13.710 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.554 -12.662 3.929 1.00 0.00 H new ATOM 923 N VAL A 61 -0.356 -15.062 2.416 1.00 0.00 N ATOM 924 CA VAL A 61 0.553 -15.749 1.514 1.00 0.00 C ATOM 925 C VAL A 61 1.282 -16.857 2.277 1.00 0.00 C ATOM 926 O VAL A 61 1.730 -17.835 1.681 1.00 0.00 O ATOM 927 CB VAL A 61 1.506 -14.743 0.865 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.908 -15.337 0.710 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.962 -14.262 -0.481 1.00 0.00 C ATOM 0 H VAL A 61 -0.275 -14.045 2.410 1.00 0.00 H new ATOM 0 HA VAL A 61 0.000 -16.223 0.703 1.00 0.00 H new ATOM 0 HB VAL A 61 1.580 -13.878 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.565 -14.602 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.300 -15.606 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.859 -16.227 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.658 -13.548 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.844 -15.114 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.005 -13.781 -0.332 1.00 0.00 H new ATOM 939 N ARG A 62 1.377 -16.667 3.585 1.00 0.00 N ATOM 940 CA ARG A 62 2.044 -17.638 4.435 1.00 0.00 C ATOM 941 C ARG A 62 1.330 -18.989 4.359 1.00 0.00 C ATOM 942 O ARG A 62 1.973 -20.027 4.214 1.00 0.00 O ATOM 943 CB ARG A 62 2.074 -17.166 5.891 1.00 0.00 C ATOM 944 CG ARG A 62 3.512 -16.955 6.369 1.00 0.00 C ATOM 945 CD ARG A 62 3.543 -16.171 7.682 1.00 0.00 C ATOM 946 NE ARG A 62 4.811 -16.435 8.399 1.00 0.00 N ATOM 947 CZ ARG A 62 5.100 -15.954 9.616 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.214 -15.182 10.259 1.00 0.00 N ATOM 949 NH2 ARG A 62 6.275 -16.246 10.190 1.00 0.00 N ATOM 0 H ARG A 62 1.003 -15.855 4.076 1.00 0.00 H new ATOM 0 HA ARG A 62 3.068 -17.744 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.515 -16.235 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.580 -17.902 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.999 -17.921 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.077 -16.418 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.445 -15.104 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.696 -16.457 8.306 1.00 0.00 H new ATOM 0 HE ARG A 62 5.508 -17.020 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.319 -14.960 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.434 -14.816 11.185 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.949 -16.834 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.495 -15.880 11.116 1.00 0.00 H new ATOM 963 N GLU A 63 0.010 -18.932 4.461 1.00 0.00 N ATOM 964 CA GLU A 63 -0.798 -20.138 4.405 1.00 0.00 C ATOM 965 C GLU A 63 -0.729 -20.758 3.008 1.00 0.00 C ATOM 966 O GLU A 63 -0.759 -21.980 2.866 1.00 0.00 O ATOM 967 CB GLU A 63 -2.245 -19.847 4.806 1.00 0.00 C ATOM 968 CG GLU A 63 -2.382 -19.737 6.326 1.00 0.00 C ATOM 969 CD GLU A 63 -3.627 -18.934 6.708 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.731 -19.509 6.590 1.00 0.00 O ATOM 971 OE2 GLU A 63 -3.447 -17.764 7.109 1.00 0.00 O ATOM 0 H GLU A 63 -0.520 -18.069 4.582 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.396 -20.856 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.576 -18.919 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.895 -20.639 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.440 -20.734 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.495 -19.259 6.741 1.00 0.00 H new ATOM 978 N ILE A 64 -0.639 -19.889 2.013 1.00 0.00 N ATOM 979 CA ILE A 64 -0.567 -20.336 0.632 1.00 0.00 C ATOM 980 C ILE A 64 0.523 -21.402 0.503 1.00 0.00 C ATOM 981 O ILE A 64 1.566 -21.311 1.148 1.00 0.00 O ATOM 982 CB ILE A 64 -0.375 -19.144 -0.308 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.582 -18.205 -0.256 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.074 -19.613 -1.733 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.680 -17.367 -1.532 1.00 0.00 C ATOM 0 H ILE A 64 -0.614 -18.877 2.135 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.506 -20.801 0.332 1.00 0.00 H new ATOM 0 HB ILE A 64 0.490 -18.575 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.495 -18.787 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.499 -17.548 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.058 -18.747 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.838 -20.210 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.904 -20.217 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.546 -16.708 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.776 -16.768 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.788 -18.027 -2.393 1.00 0.00 H new ATOM 997 N PRO A 65 0.235 -22.416 -0.357 1.00 0.00 N ATOM 998 CA PRO A 65 1.178 -23.499 -0.579 1.00 0.00 C ATOM 999 C PRO A 65 2.345 -23.039 -1.456 1.00 0.00 C ATOM 1000 O PRO A 65 2.265 -21.997 -2.105 1.00 0.00 O ATOM 1001 CB PRO A 65 0.359 -24.610 -1.215 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.899 -23.946 -1.750 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.990 -22.557 -1.138 1.00 0.00 C ATOM 0 HA PRO A 65 1.646 -23.845 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.915 -25.096 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.113 -25.381 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.864 -23.882 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.780 -24.535 -1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.059 -21.789 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.875 -22.459 -0.509 1.00 0.00 H new ATOM 1011 N PRO A 66 3.429 -23.859 -1.447 1.00 0.00 N ATOM 1012 CA PRO A 66 4.611 -23.547 -2.233 1.00 0.00 C ATOM 1013 C PRO A 66 4.370 -23.826 -3.718 1.00 0.00 C ATOM 1014 O PRO A 66 5.270 -23.655 -4.539 1.00 0.00 O ATOM 1015 CB PRO A 66 5.716 -24.405 -1.639 1.00 0.00 C ATOM 1016 CG PRO A 66 5.017 -25.502 -0.854 1.00 0.00 C ATOM 1017 CD PRO A 66 3.560 -25.101 -0.690 1.00 0.00 C ATOM 0 HA PRO A 66 4.879 -22.491 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.346 -24.826 -2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.364 -23.814 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.094 -26.455 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.489 -25.634 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.892 -25.871 -1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.306 -24.954 0.360 1.00 0.00 H new ATOM 1025 N GLN A 67 3.151 -24.249 -4.018 1.00 0.00 N ATOM 1026 CA GLN A 67 2.781 -24.553 -5.390 1.00 0.00 C ATOM 1027 C GLN A 67 1.924 -23.426 -5.970 1.00 0.00 C ATOM 1028 O GLN A 67 1.879 -23.239 -7.185 1.00 0.00 O ATOM 1029 CB GLN A 67 2.052 -25.896 -5.476 1.00 0.00 C ATOM 1030 CG GLN A 67 1.046 -26.048 -4.334 1.00 0.00 C ATOM 1031 CD GLN A 67 -0.062 -27.036 -4.708 1.00 0.00 C ATOM 1032 OE1 GLN A 67 -0.715 -26.918 -5.732 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -0.237 -28.013 -3.823 1.00 0.00 N ATOM 0 H GLN A 67 2.407 -24.388 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 67 3.692 -24.633 -5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.536 -25.973 -6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.776 -26.710 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.559 -26.394 -3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.609 -25.078 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.344 -28.053 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.953 -28.722 -3.981 1.00 0.00 H new ATOM 1042 N SER A 68 1.266 -22.705 -5.075 1.00 0.00 N ATOM 1043 CA SER A 68 0.413 -21.601 -5.483 1.00 0.00 C ATOM 1044 C SER A 68 1.105 -20.269 -5.187 1.00 0.00 C ATOM 1045 O SER A 68 0.568 -19.205 -5.493 1.00 0.00 O ATOM 1046 CB SER A 68 -0.943 -21.664 -4.778 1.00 0.00 C ATOM 1047 OG SER A 68 -1.979 -21.075 -5.560 1.00 0.00 O ATOM 0 H SER A 68 1.306 -22.863 -4.068 1.00 0.00 H new ATOM 0 HA SER A 68 0.238 -21.681 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.194 -22.704 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.877 -21.151 -3.818 1.00 0.00 H new ATOM 0 HG SER A 68 -2.829 -21.136 -5.076 1.00 0.00 H new ATOM 1053 N ARG A 69 2.285 -20.370 -4.594 1.00 0.00 N ATOM 1054 CA ARG A 69 3.055 -19.186 -4.253 1.00 0.00 C ATOM 1055 C ARG A 69 3.980 -18.802 -5.411 1.00 0.00 C ATOM 1056 O ARG A 69 5.141 -18.460 -5.195 1.00 0.00 O ATOM 1057 CB ARG A 69 3.894 -19.418 -2.995 1.00 0.00 C ATOM 1058 CG ARG A 69 3.607 -18.348 -1.940 1.00 0.00 C ATOM 1059 CD ARG A 69 4.717 -18.304 -0.887 1.00 0.00 C ATOM 1060 NE ARG A 69 5.464 -17.031 -0.991 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.572 -16.751 -0.292 1.00 0.00 C ATOM 1062 NH1 ARG A 69 7.068 -17.652 0.566 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.184 -15.569 -0.451 1.00 0.00 N ATOM 0 H ARG A 69 2.727 -21.254 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 69 2.351 -18.376 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.677 -20.405 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.953 -19.405 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.518 -17.374 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.652 -18.555 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.288 -18.403 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.395 -19.146 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 69 5.113 -16.322 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.602 -18.551 0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.912 -17.439 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.806 -14.883 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.028 -15.356 0.081 1.00 0.00 H new ATOM 1077 N GLY A 70 3.429 -18.873 -6.614 1.00 0.00 N ATOM 1078 CA GLY A 70 4.190 -18.537 -7.806 1.00 0.00 C ATOM 1079 C GLY A 70 4.261 -17.022 -8.002 1.00 0.00 C ATOM 1080 O GLY A 70 5.269 -16.397 -7.678 1.00 0.00 O ATOM 0 H GLY A 70 2.465 -19.158 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.198 -18.944 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.728 -18.999 -8.679 1.00 0.00 H new ATOM 1084 N MET A 71 3.177 -16.474 -8.532 1.00 0.00 N ATOM 1085 CA MET A 71 3.103 -15.044 -8.776 1.00 0.00 C ATOM 1086 C MET A 71 3.151 -14.261 -7.462 1.00 0.00 C ATOM 1087 O MET A 71 4.014 -13.405 -7.277 1.00 0.00 O ATOM 1088 CB MET A 71 1.806 -14.718 -9.518 1.00 0.00 C ATOM 1089 CG MET A 71 1.985 -14.872 -11.030 1.00 0.00 C ATOM 1090 SD MET A 71 1.450 -13.386 -11.862 1.00 0.00 S ATOM 1091 CE MET A 71 0.172 -14.061 -12.910 1.00 0.00 C ATOM 0 H MET A 71 2.342 -16.996 -8.799 1.00 0.00 H new ATOM 0 HA MET A 71 3.961 -14.753 -9.382 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.010 -15.378 -9.173 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.497 -13.699 -9.287 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.031 -15.072 -11.262 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.410 -15.726 -11.388 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.272 -13.262 -13.504 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.604 -14.810 -13.574 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.598 -14.524 -12.293 1.00 0.00 H new ATOM 1101 N TYR A 72 2.212 -14.582 -6.585 1.00 0.00 N ATOM 1102 CA TYR A 72 2.136 -13.920 -5.294 1.00 0.00 C ATOM 1103 C TYR A 72 3.533 -13.616 -4.750 1.00 0.00 C ATOM 1104 O TYR A 72 3.843 -12.469 -4.431 1.00 0.00 O ATOM 1105 CB TYR A 72 1.440 -14.906 -4.354 1.00 0.00 C ATOM 1106 CG TYR A 72 0.321 -14.283 -3.516 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.516 -13.061 -2.904 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.882 -14.943 -3.371 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.536 -12.475 -2.115 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.935 -14.357 -2.582 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.709 -13.152 -1.993 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.703 -12.598 -1.248 1.00 0.00 O ATOM 0 H TYR A 72 1.497 -15.292 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 72 1.600 -12.974 -5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.026 -15.724 -4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.183 -15.340 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.458 -12.545 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.034 -15.899 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.397 -11.520 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.882 -14.863 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.483 -13.191 -1.250 1.00 0.00 H new ATOM 1122 N SER A 73 4.340 -14.663 -4.662 1.00 0.00 N ATOM 1123 CA SER A 73 5.697 -14.523 -4.162 1.00 0.00 C ATOM 1124 C SER A 73 6.392 -13.351 -4.859 1.00 0.00 C ATOM 1125 O SER A 73 6.786 -12.384 -4.210 1.00 0.00 O ATOM 1126 CB SER A 73 6.496 -15.812 -4.367 1.00 0.00 C ATOM 1127 OG SER A 73 5.980 -16.889 -3.590 1.00 0.00 O ATOM 0 H SER A 73 4.080 -15.613 -4.929 1.00 0.00 H new ATOM 0 HA SER A 73 5.649 -14.325 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.479 -16.085 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.538 -15.639 -4.100 1.00 0.00 H new ATOM 0 HG SER A 73 5.941 -17.700 -4.139 1.00 0.00 H new ATOM 1133 N ASN A 74 6.522 -13.477 -6.172 1.00 0.00 N ATOM 1134 CA ASN A 74 7.162 -12.441 -6.963 1.00 0.00 C ATOM 1135 C ASN A 74 6.419 -11.119 -6.763 1.00 0.00 C ATOM 1136 O ASN A 74 7.039 -10.085 -6.519 1.00 0.00 O ATOM 1137 CB ASN A 74 7.124 -12.784 -8.454 1.00 0.00 C ATOM 1138 CG ASN A 74 8.504 -13.219 -8.952 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.524 -12.641 -8.616 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.477 -14.267 -9.771 1.00 0.00 N ATOM 0 H ASN A 74 6.195 -14.281 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 74 8.199 -12.361 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.402 -13.582 -8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.785 -11.917 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.346 -14.634 -10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.587 -14.704 -10.011 1.00 0.00 H new ATOM 1147 N ARG A 75 5.101 -11.195 -6.873 1.00 0.00 N ATOM 1148 CA ARG A 75 4.266 -10.018 -6.707 1.00 0.00 C ATOM 1149 C ARG A 75 4.601 -9.311 -5.392 1.00 0.00 C ATOM 1150 O ARG A 75 4.938 -8.128 -5.387 1.00 0.00 O ATOM 1151 CB ARG A 75 2.782 -10.389 -6.715 1.00 0.00 C ATOM 1152 CG ARG A 75 2.112 -9.944 -8.017 1.00 0.00 C ATOM 1153 CD ARG A 75 0.950 -10.870 -8.380 1.00 0.00 C ATOM 1154 NE ARG A 75 -0.088 -10.115 -9.117 1.00 0.00 N ATOM 1155 CZ ARG A 75 -1.190 -10.669 -9.641 1.00 0.00 C ATOM 1156 NH1 ARG A 75 -1.405 -11.985 -9.511 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -2.077 -9.906 -10.294 1.00 0.00 N ATOM 0 H ARG A 75 4.590 -12.055 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 75 4.466 -9.349 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.672 -11.467 -6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.282 -9.922 -5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.748 -8.922 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.844 -9.940 -8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.311 -11.698 -8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.523 -11.303 -7.475 1.00 0.00 H new ATOM 0 HE ARG A 75 0.044 -9.110 -9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.730 -12.565 -9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.244 -12.407 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.913 -8.904 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.916 -10.327 -10.693 1.00 0.00 H new ATOM 1171 N MET A 76 4.497 -10.066 -4.308 1.00 0.00 N ATOM 1172 CA MET A 76 4.785 -9.527 -2.990 1.00 0.00 C ATOM 1173 C MET A 76 6.009 -8.610 -3.028 1.00 0.00 C ATOM 1174 O MET A 76 5.931 -7.446 -2.638 1.00 0.00 O ATOM 1175 CB MET A 76 5.036 -10.676 -2.012 1.00 0.00 C ATOM 1176 CG MET A 76 3.763 -11.029 -1.241 1.00 0.00 C ATOM 1177 SD MET A 76 3.686 -10.090 0.275 1.00 0.00 S ATOM 1178 CE MET A 76 2.050 -9.391 0.124 1.00 0.00 C ATOM 0 H MET A 76 4.217 -11.047 -4.316 1.00 0.00 H new ATOM 0 HA MET A 76 3.926 -8.941 -2.662 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.390 -11.551 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.824 -10.397 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.887 -10.818 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.747 -12.096 -1.019 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.660 -9.160 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.098 -8.478 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.392 -10.108 -0.367 1.00 0.00 H new ATOM 1188 N ARG A 77 7.113 -9.170 -3.500 1.00 0.00 N ATOM 1189 CA ARG A 77 8.353 -8.419 -3.594 1.00 0.00 C ATOM 1190 C ARG A 77 8.107 -7.072 -4.278 1.00 0.00 C ATOM 1191 O ARG A 77 8.566 -6.036 -3.800 1.00 0.00 O ATOM 1192 CB ARG A 77 9.411 -9.196 -4.380 1.00 0.00 C ATOM 1193 CG ARG A 77 10.630 -9.499 -3.507 1.00 0.00 C ATOM 1194 CD ARG A 77 11.760 -8.503 -3.778 1.00 0.00 C ATOM 1195 NE ARG A 77 12.896 -8.766 -2.867 1.00 0.00 N ATOM 1196 CZ ARG A 77 14.078 -8.139 -2.940 1.00 0.00 C ATOM 1197 NH1 ARG A 77 14.286 -7.210 -3.883 1.00 0.00 N ATOM 1198 NH2 ARG A 77 15.052 -8.442 -2.071 1.00 0.00 N ATOM 0 H ARG A 77 7.174 -10.136 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 77 8.718 -8.255 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.983 -10.128 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.718 -8.619 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 77 10.348 -9.457 -2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.979 -10.513 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.088 -8.585 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.399 -7.484 -3.638 1.00 0.00 H new ATOM 0 HE ARG A 77 12.772 -9.468 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.545 -6.980 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.186 -6.733 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.894 -9.150 -1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.952 -7.965 -2.127 1.00 0.00 H new ATOM 1212 N SER A 78 7.383 -7.131 -5.386 1.00 0.00 N ATOM 1213 CA SER A 78 7.070 -5.930 -6.141 1.00 0.00 C ATOM 1214 C SER A 78 6.275 -4.956 -5.268 1.00 0.00 C ATOM 1215 O SER A 78 6.765 -3.882 -4.925 1.00 0.00 O ATOM 1216 CB SER A 78 6.287 -6.265 -7.411 1.00 0.00 C ATOM 1217 OG SER A 78 7.091 -6.146 -8.581 1.00 0.00 O ATOM 0 H SER A 78 7.004 -7.993 -5.779 1.00 0.00 H new ATOM 0 HA SER A 78 8.007 -5.460 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.899 -7.281 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.427 -5.600 -7.493 1.00 0.00 H new ATOM 0 HG SER A 78 6.555 -6.370 -9.370 1.00 0.00 H new ATOM 1223 N TYR A 79 5.060 -5.367 -4.935 1.00 0.00 N ATOM 1224 CA TYR A 79 4.192 -4.545 -4.109 1.00 0.00 C ATOM 1225 C TYR A 79 4.993 -3.815 -3.029 1.00 0.00 C ATOM 1226 O TYR A 79 5.014 -2.586 -2.991 1.00 0.00 O ATOM 1227 CB TYR A 79 3.212 -5.509 -3.437 1.00 0.00 C ATOM 1228 CG TYR A 79 2.215 -6.156 -4.401 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.695 -5.424 -5.449 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.837 -7.470 -4.222 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.757 -6.033 -6.356 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.899 -8.079 -5.129 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.405 -7.330 -6.152 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.481 -7.905 -7.009 1.00 0.00 O ATOM 0 H TYR A 79 4.656 -6.259 -5.222 1.00 0.00 H new ATOM 0 HA TYR A 79 3.688 -3.791 -4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.777 -6.294 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.660 -4.971 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.991 -4.395 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.244 -8.042 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.342 -5.472 -7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.594 -9.107 -5.000 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.530 -8.868 -6.832 1.00 0.00 H new ATOM 1244 N LYS A 80 5.632 -4.603 -2.178 1.00 0.00 N ATOM 1245 CA LYS A 80 6.433 -4.048 -1.100 1.00 0.00 C ATOM 1246 C LYS A 80 7.329 -2.939 -1.655 1.00 0.00 C ATOM 1247 O LYS A 80 7.328 -1.820 -1.144 1.00 0.00 O ATOM 1248 CB LYS A 80 7.201 -5.156 -0.377 1.00 0.00 C ATOM 1249 CG LYS A 80 6.243 -6.182 0.230 1.00 0.00 C ATOM 1250 CD LYS A 80 6.827 -6.791 1.506 1.00 0.00 C ATOM 1251 CE LYS A 80 5.721 -7.135 2.506 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.872 -6.335 3.742 1.00 0.00 N ATOM 0 H LYS A 80 5.612 -5.622 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 80 5.792 -3.592 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.875 -5.652 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.819 -4.722 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.289 -5.705 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.043 -6.971 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.391 -7.690 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.528 -6.090 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.746 -6.943 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.758 -8.197 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.113 -6.581 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.795 -6.538 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.814 -5.323 3.510 1.00 0.00 H new ATOM 1266 N GLN A 81 8.073 -3.289 -2.694 1.00 0.00 N ATOM 1267 CA GLN A 81 8.972 -2.337 -3.325 1.00 0.00 C ATOM 1268 C GLN A 81 8.225 -1.047 -3.667 1.00 0.00 C ATOM 1269 O GLN A 81 8.570 0.025 -3.173 1.00 0.00 O ATOM 1270 CB GLN A 81 9.624 -2.941 -4.570 1.00 0.00 C ATOM 1271 CG GLN A 81 10.954 -3.613 -4.223 1.00 0.00 C ATOM 1272 CD GLN A 81 12.094 -2.593 -4.196 1.00 0.00 C ATOM 1273 OE1 GLN A 81 12.329 -1.912 -3.211 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.786 -2.525 -5.330 1.00 0.00 N ATOM 0 H GLN A 81 8.072 -4.218 -3.115 1.00 0.00 H new ATOM 0 HA GLN A 81 9.767 -2.096 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.951 -3.671 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.790 -2.161 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.876 -4.102 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.174 -4.390 -4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.536 -3.124 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.567 -1.874 -5.413 1.00 0.00 H new ATOM 1283 N GLU A 82 7.214 -1.193 -4.511 1.00 0.00 N ATOM 1284 CA GLU A 82 6.415 -0.053 -4.926 1.00 0.00 C ATOM 1285 C GLU A 82 5.874 0.690 -3.702 1.00 0.00 C ATOM 1286 O GLU A 82 6.162 1.870 -3.510 1.00 0.00 O ATOM 1287 CB GLU A 82 5.276 -0.488 -5.850 1.00 0.00 C ATOM 1288 CG GLU A 82 4.433 0.712 -6.285 1.00 0.00 C ATOM 1289 CD GLU A 82 4.417 0.848 -7.809 1.00 0.00 C ATOM 1290 OE1 GLU A 82 3.617 0.120 -8.436 1.00 0.00 O ATOM 1291 OE2 GLU A 82 5.205 1.677 -8.313 1.00 0.00 O ATOM 0 H GLU A 82 6.930 -2.084 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 82 7.054 0.628 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.686 -0.986 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.644 -1.214 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.414 0.598 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.833 1.623 -5.839 1.00 0.00 H new ATOM 1298 N MET A 83 5.099 -0.033 -2.906 1.00 0.00 N ATOM 1299 CA MET A 83 4.516 0.543 -1.706 1.00 0.00 C ATOM 1300 C MET A 83 5.498 1.494 -1.021 1.00 0.00 C ATOM 1301 O MET A 83 5.307 2.709 -1.039 1.00 0.00 O ATOM 1302 CB MET A 83 4.130 -0.577 -0.738 1.00 0.00 C ATOM 1303 CG MET A 83 2.724 -0.356 -0.176 1.00 0.00 C ATOM 1304 SD MET A 83 2.807 0.652 1.294 1.00 0.00 S ATOM 1305 CE MET A 83 1.386 1.700 1.031 1.00 0.00 C ATOM 0 H MET A 83 4.862 -1.012 -3.069 1.00 0.00 H new ATOM 0 HA MET A 83 3.630 1.110 -1.992 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.173 -1.537 -1.252 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.850 -0.620 0.080 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.096 0.128 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.261 -1.315 0.056 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.600 2.703 1.402 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.161 1.747 -0.034 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.528 1.291 1.565 1.00 0.00 H new ATOM 1315 N GLY A 84 6.529 0.906 -0.433 1.00 0.00 N ATOM 1316 CA GLY A 84 7.542 1.686 0.258 1.00 0.00 C ATOM 1317 C GLY A 84 7.955 2.905 -0.571 1.00 0.00 C ATOM 1318 O GLY A 84 8.250 3.964 -0.020 1.00 0.00 O ATOM 0 H GLY A 84 6.685 -0.102 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.158 2.012 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.414 1.063 0.455 1.00 0.00 H new ATOM 1322 N LYS A 85 7.962 2.714 -1.882 1.00 0.00 N ATOM 1323 CA LYS A 85 8.334 3.784 -2.792 1.00 0.00 C ATOM 1324 C LYS A 85 7.252 4.866 -2.768 1.00 0.00 C ATOM 1325 O LYS A 85 7.561 6.055 -2.706 1.00 0.00 O ATOM 1326 CB LYS A 85 8.615 3.226 -4.189 1.00 0.00 C ATOM 1327 CG LYS A 85 10.006 3.638 -4.674 1.00 0.00 C ATOM 1328 CD LYS A 85 10.653 2.521 -5.496 1.00 0.00 C ATOM 1329 CE LYS A 85 10.886 2.968 -6.940 1.00 0.00 C ATOM 1330 NZ LYS A 85 9.928 2.302 -7.850 1.00 0.00 N ATOM 0 H LYS A 85 7.716 1.834 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 85 9.263 4.254 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.539 2.139 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.860 3.588 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.931 4.542 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.637 3.877 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.602 2.234 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.014 1.638 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.775 4.050 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.907 2.731 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.100 2.617 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.053 1.271 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.957 2.549 -7.573 1.00 0.00 H new ATOM 1344 N LEU A 86 6.008 4.415 -2.819 1.00 0.00 N ATOM 1345 CA LEU A 86 4.879 5.330 -2.804 1.00 0.00 C ATOM 1346 C LEU A 86 5.026 6.295 -1.626 1.00 0.00 C ATOM 1347 O LEU A 86 4.593 7.444 -1.703 1.00 0.00 O ATOM 1348 CB LEU A 86 3.560 4.554 -2.802 1.00 0.00 C ATOM 1349 CG LEU A 86 2.994 4.192 -4.177 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.234 2.865 -4.123 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.128 5.326 -4.730 1.00 0.00 C ATOM 0 H LEU A 86 5.756 3.428 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 86 4.866 5.933 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.704 3.634 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.815 5.144 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 86 3.828 4.059 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.842 2.630 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.909 2.072 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.409 2.947 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.738 5.043 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.298 5.515 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.730 6.229 -4.827 1.00 0.00 H new ATOM 1363 N GLU A 87 5.639 5.794 -0.564 1.00 0.00 N ATOM 1364 CA GLU A 87 5.849 6.597 0.628 1.00 0.00 C ATOM 1365 C GLU A 87 6.884 7.690 0.356 1.00 0.00 C ATOM 1366 O GLU A 87 6.798 8.784 0.912 1.00 0.00 O ATOM 1367 CB GLU A 87 6.271 5.723 1.811 1.00 0.00 C ATOM 1368 CG GLU A 87 5.064 5.341 2.669 1.00 0.00 C ATOM 1369 CD GLU A 87 5.279 5.745 4.129 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.413 5.539 4.614 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.305 6.249 4.728 1.00 0.00 O ATOM 0 H GLU A 87 5.997 4.841 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 87 4.906 7.075 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.761 4.821 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.000 6.257 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.169 5.828 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.895 4.266 2.607 1.00 0.00 H new ATOM 1378 N THR A 88 7.840 7.356 -0.498 1.00 0.00 N ATOM 1379 CA THR A 88 8.891 8.295 -0.850 1.00 0.00 C ATOM 1380 C THR A 88 8.412 9.243 -1.951 1.00 0.00 C ATOM 1381 O THR A 88 8.439 10.461 -1.781 1.00 0.00 O ATOM 1382 CB THR A 88 10.133 7.491 -1.239 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.782 7.230 0.003 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.149 8.325 -2.022 1.00 0.00 C ATOM 0 H THR A 88 7.909 6.448 -0.957 1.00 0.00 H new ATOM 0 HA THR A 88 9.151 8.933 -0.005 1.00 0.00 H new ATOM 0 HB THR A 88 9.834 6.629 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.597 6.711 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.011 7.707 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.688 8.694 -2.938 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.473 9.169 -1.413 1.00 0.00 H new ATOM 1392 N ASP A 89 7.985 8.649 -3.055 1.00 0.00 N ATOM 1393 CA ASP A 89 7.500 9.426 -4.184 1.00 0.00 C ATOM 1394 C ASP A 89 6.399 10.375 -3.708 1.00 0.00 C ATOM 1395 O ASP A 89 6.181 11.428 -4.306 1.00 0.00 O ATOM 1396 CB ASP A 89 6.908 8.518 -5.263 1.00 0.00 C ATOM 1397 CG ASP A 89 7.709 8.454 -6.565 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.109 9.539 -7.039 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.902 7.322 -7.058 1.00 0.00 O ATOM 0 H ASP A 89 7.965 7.639 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 89 8.342 9.979 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.819 7.510 -4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.899 8.861 -5.491 1.00 0.00 H new ATOM 1404 N PHE A 90 5.733 9.969 -2.637 1.00 0.00 N ATOM 1405 CA PHE A 90 4.660 10.771 -2.074 1.00 0.00 C ATOM 1406 C PHE A 90 5.213 12.009 -1.366 1.00 0.00 C ATOM 1407 O PHE A 90 4.702 13.113 -1.547 1.00 0.00 O ATOM 1408 CB PHE A 90 3.935 9.894 -1.051 1.00 0.00 C ATOM 1409 CG PHE A 90 3.105 10.680 -0.034 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.434 11.798 -0.423 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.039 10.262 1.258 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.664 12.527 0.521 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.269 10.992 2.202 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.597 12.109 1.813 1.00 0.00 C ATOM 0 H PHE A 90 5.916 9.095 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 90 3.992 11.108 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.281 9.201 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.671 9.293 -0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.487 12.131 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.572 9.375 1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.131 13.414 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.217 10.660 3.229 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.010 12.664 2.530 1.00 0.00 H new ATOM 1424 N LYS A 91 6.252 11.784 -0.574 1.00 0.00 N ATOM 1425 CA LYS A 91 6.880 12.867 0.162 1.00 0.00 C ATOM 1426 C LYS A 91 7.610 13.788 -0.818 1.00 0.00 C ATOM 1427 O LYS A 91 7.610 15.006 -0.648 1.00 0.00 O ATOM 1428 CB LYS A 91 7.778 12.312 1.269 1.00 0.00 C ATOM 1429 CG LYS A 91 9.227 12.192 0.792 1.00 0.00 C ATOM 1430 CD LYS A 91 10.153 11.795 1.944 1.00 0.00 C ATOM 1431 CE LYS A 91 10.917 13.008 2.477 1.00 0.00 C ATOM 1432 NZ LYS A 91 10.604 13.231 3.906 1.00 0.00 N ATOM 0 H LYS A 91 6.674 10.867 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 91 6.127 13.471 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.731 12.964 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.413 11.334 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.291 11.449 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.554 13.142 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.568 11.347 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.859 11.037 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.989 12.853 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.654 13.894 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.131 14.058 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.584 13.400 4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.877 12.392 4.456 1.00 0.00 H new ATOM 1446 N ARG A 92 8.215 13.170 -1.822 1.00 0.00 N ATOM 1447 CA ARG A 92 8.947 13.919 -2.829 1.00 0.00 C ATOM 1448 C ARG A 92 7.975 14.619 -3.781 1.00 0.00 C ATOM 1449 O ARG A 92 8.397 15.320 -4.700 1.00 0.00 O ATOM 1450 CB ARG A 92 9.868 13.002 -3.636 1.00 0.00 C ATOM 1451 CG ARG A 92 11.239 12.876 -2.968 1.00 0.00 C ATOM 1452 CD ARG A 92 12.202 12.066 -3.839 1.00 0.00 C ATOM 1453 NE ARG A 92 12.605 12.860 -5.021 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.484 12.443 -5.942 1.00 0.00 C ATOM 1455 NH1 ARG A 92 14.057 11.238 -5.823 1.00 0.00 N ATOM 1456 NH2 ARG A 92 13.789 13.231 -6.982 1.00 0.00 N ATOM 0 H ARG A 92 8.213 12.159 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 92 9.554 14.662 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.413 12.016 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.986 13.396 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.653 13.868 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.131 12.395 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 92 13.083 11.788 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.725 11.140 -4.158 1.00 0.00 H new ATOM 0 HE ARG A 92 12.187 13.783 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.824 10.638 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.726 10.920 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.352 14.148 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.458 12.914 -7.683 1.00 0.00 H new ATOM 1470 N SER A 93 6.692 14.405 -3.529 1.00 0.00 N ATOM 1471 CA SER A 93 5.657 15.006 -4.352 1.00 0.00 C ATOM 1472 C SER A 93 5.117 16.267 -3.674 1.00 0.00 C ATOM 1473 O SER A 93 4.890 17.281 -4.333 1.00 0.00 O ATOM 1474 CB SER A 93 4.520 14.017 -4.617 1.00 0.00 C ATOM 1475 OG SER A 93 3.263 14.517 -4.169 1.00 0.00 O ATOM 0 H SER A 93 6.346 13.823 -2.766 1.00 0.00 H new ATOM 0 HA SER A 93 6.097 15.277 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.466 13.804 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.735 13.074 -4.114 1.00 0.00 H new ATOM 0 HG SER A 93 2.540 13.997 -4.577 1.00 0.00 H new ATOM 1481 N ARG A 94 4.926 16.163 -2.368 1.00 0.00 N ATOM 1482 CA ARG A 94 4.417 17.282 -1.594 1.00 0.00 C ATOM 1483 C ARG A 94 5.519 18.321 -1.375 1.00 0.00 C ATOM 1484 O ARG A 94 5.233 19.492 -1.130 1.00 0.00 O ATOM 1485 CB ARG A 94 3.886 16.817 -0.236 1.00 0.00 C ATOM 1486 CG ARG A 94 5.011 16.234 0.621 1.00 0.00 C ATOM 1487 CD ARG A 94 4.448 15.509 1.845 1.00 0.00 C ATOM 1488 NE ARG A 94 5.319 15.744 3.018 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.348 16.887 3.716 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.554 17.908 3.363 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.171 17.011 4.766 1.00 0.00 N ATOM 0 H ARG A 94 5.115 15.320 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 94 3.598 17.729 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.424 17.656 0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.109 16.067 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.605 15.541 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.679 17.033 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.438 15.863 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.376 14.440 1.644 1.00 0.00 H new ATOM 0 HE ARG A 94 5.936 14.988 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.928 17.814 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.576 18.778 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.776 16.235 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.193 17.882 5.297 1.00 0.00 H new ATOM 1505 N ILE A 95 6.755 17.855 -1.471 1.00 0.00 N ATOM 1506 CA ILE A 95 7.901 18.729 -1.286 1.00 0.00 C ATOM 1507 C ILE A 95 8.240 19.406 -2.616 1.00 0.00 C ATOM 1508 O ILE A 95 8.494 20.609 -2.657 1.00 0.00 O ATOM 1509 CB ILE A 95 9.071 17.956 -0.674 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.645 16.949 -1.672 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.660 17.290 0.641 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.681 17.609 -2.583 1.00 0.00 C ATOM 0 H ILE A 95 6.988 16.883 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 95 7.666 19.521 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 95 9.865 18.666 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.105 16.120 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.840 16.530 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.510 16.747 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.336 18.053 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.841 16.595 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.073 16.871 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.212 18.422 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.497 18.005 -1.979 1.00 0.00 H new ATOM 1524 N ALA A 96 8.234 18.603 -3.670 1.00 0.00 N ATOM 1525 CA ALA A 96 8.538 19.110 -4.998 1.00 0.00 C ATOM 1526 C ALA A 96 9.765 20.021 -4.923 1.00 0.00 C ATOM 1527 O ALA A 96 10.441 20.074 -3.897 1.00 0.00 O ATOM 1528 CB ALA A 96 7.311 19.829 -5.563 1.00 0.00 C ATOM 0 H ALA A 96 8.024 17.606 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 96 8.777 18.291 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.539 20.209 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.476 19.131 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.043 20.660 -4.910 1.00 0.00 H new ATOM 1534 N SER A 97 10.015 20.714 -6.024 1.00 0.00 N ATOM 1535 CA SER A 97 11.149 21.620 -6.095 1.00 0.00 C ATOM 1536 C SER A 97 12.456 20.835 -5.959 1.00 0.00 C ATOM 1537 O SER A 97 13.137 20.580 -6.950 1.00 0.00 O ATOM 1538 CB SER A 97 11.062 22.699 -5.014 1.00 0.00 C ATOM 1539 OG SER A 97 10.741 23.976 -5.558 1.00 0.00 O ATOM 0 H SER A 97 9.452 20.667 -6.873 1.00 0.00 H new ATOM 0 HA SER A 97 11.130 22.115 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.306 22.417 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.013 22.759 -4.485 1.00 0.00 H new ATOM 0 HG SER A 97 10.693 24.637 -4.836 1.00 0.00 H new ATOM 1545 N GLY A 98 12.765 20.474 -4.722 1.00 0.00 N ATOM 1546 CA GLY A 98 13.977 19.724 -4.443 1.00 0.00 C ATOM 1547 C GLY A 98 14.272 19.697 -2.941 1.00 0.00 C ATOM 1548 O GLY A 98 13.968 20.651 -2.228 1.00 0.00 O ATOM 0 H GLY A 98 12.197 20.687 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.872 18.705 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.817 20.172 -4.974 1.00 0.00 H new ATOM 1552 N PRO A 99 14.875 18.562 -2.495 1.00 0.00 N ATOM 1553 CA PRO A 99 15.214 18.398 -1.091 1.00 0.00 C ATOM 1554 C PRO A 99 16.438 19.237 -0.721 1.00 0.00 C ATOM 1555 O PRO A 99 16.382 20.053 0.198 1.00 0.00 O ATOM 1556 CB PRO A 99 15.440 16.905 -0.914 1.00 0.00 C ATOM 1557 CG PRO A 99 15.676 16.351 -2.309 1.00 0.00 C ATOM 1558 CD PRO A 99 15.249 17.411 -3.311 1.00 0.00 C ATOM 0 HA PRO A 99 14.428 18.750 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.297 16.714 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.576 16.432 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.727 16.098 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.105 15.434 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.060 17.658 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.412 17.067 -3.919 1.00 0.00 H new ATOM 1566 N SER A 100 17.517 19.007 -1.455 1.00 0.00 N ATOM 1567 CA SER A 100 18.754 19.731 -1.216 1.00 0.00 C ATOM 1568 C SER A 100 18.448 21.195 -0.890 1.00 0.00 C ATOM 1569 O SER A 100 17.943 21.930 -1.736 1.00 0.00 O ATOM 1570 CB SER A 100 19.688 19.640 -2.423 1.00 0.00 C ATOM 1571 OG SER A 100 20.090 18.299 -2.688 1.00 0.00 O ATOM 0 H SER A 100 17.560 18.329 -2.216 1.00 0.00 H new ATOM 0 HA SER A 100 19.259 19.273 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.187 20.048 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.571 20.255 -2.245 1.00 0.00 H new ATOM 0 HG SER A 100 20.684 18.284 -3.467 1.00 0.00 H new ATOM 1577 N SER A 101 18.768 21.573 0.339 1.00 0.00 N ATOM 1578 CA SER A 101 18.534 22.936 0.787 1.00 0.00 C ATOM 1579 C SER A 101 17.032 23.185 0.941 1.00 0.00 C ATOM 1580 O SER A 101 16.544 23.391 2.051 1.00 0.00 O ATOM 1581 CB SER A 101 19.143 23.947 -0.185 1.00 0.00 C ATOM 1582 OG SER A 101 20.401 23.510 -0.692 1.00 0.00 O ATOM 0 H SER A 101 19.187 20.960 1.038 1.00 0.00 H new ATOM 0 HA SER A 101 19.019 23.066 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.455 24.112 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.269 24.905 0.320 1.00 0.00 H new ATOM 0 HG SER A 101 20.756 24.182 -1.310 1.00 0.00 H new ATOM 1588 N GLY A 102 16.341 23.159 -0.189 1.00 0.00 N ATOM 1589 CA GLY A 102 14.905 23.380 -0.194 1.00 0.00 C ATOM 1590 C GLY A 102 14.158 22.137 0.291 1.00 0.00 C ATOM 1591 O GLY A 102 13.104 22.246 0.916 1.00 0.00 O ATOM 0 H GLY A 102 16.749 22.988 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 102 14.662 24.228 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.576 23.636 -1.201 1.00 0.00 H new TER 1595 GLY A 102