USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 5 HIS : no HE2:sc= 0.679 K(o=0.68,f=-5.7!) USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= -0.0302 (180deg=-0.124) USER MOD Single : A 8 SER OG : rot -44:sc= 0.258 USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.676 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc=-0.00476 (180deg=-0.0578) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 34 ASN : amide:sc= -0.242 K(o=-0.24,f=-3.8!) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0214) USER MOD Single : A 44 THR OG1 : rot -149:sc= -0.179 USER MOD Single : A 46 HIS : no HD1:sc= -2 K(o=-2,f=-7.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 3:sc= 1.29 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.625 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.18) USER MOD Single : A 78 ASN : amide:sc= 1.21 K(o=1.2,f=-0.014) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.778) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= 0.464 (180deg=0.332) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.37 F(o=-1.5!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.196 10.681 -4.887 1.00 0.00 N ATOM 36 CA LYS A 4 7.977 11.272 -4.403 1.00 0.00 C ATOM 37 C LYS A 4 8.268 12.083 -3.156 1.00 0.00 C ATOM 38 O LYS A 4 9.411 12.101 -2.682 1.00 0.00 O ATOM 39 CB LYS A 4 6.952 10.154 -4.085 1.00 0.00 C ATOM 40 CG LYS A 4 7.574 8.809 -3.635 1.00 0.00 C ATOM 41 CD LYS A 4 8.377 8.855 -2.335 1.00 0.00 C ATOM 42 CE LYS A 4 7.541 9.072 -1.089 1.00 0.00 C ATOM 43 NZ LYS A 4 8.379 9.070 0.140 1.00 0.00 N ATOM 0 HA LYS A 4 7.560 11.930 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.282 10.508 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.342 9.977 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.773 8.079 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.225 8.446 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.928 7.921 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.115 9.654 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.011 10.021 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.786 8.290 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.800 9.354 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.758 8.115 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.166 9.740 0.024 1.00 0.00 H new ATOM 57 N HIS A 5 7.279 12.769 -2.641 1.00 0.00 N ATOM 58 CA HIS A 5 7.443 13.444 -1.363 1.00 0.00 C ATOM 59 C HIS A 5 6.773 12.624 -0.242 1.00 0.00 C ATOM 60 O HIS A 5 7.421 12.238 0.714 1.00 0.00 O ATOM 61 CB HIS A 5 6.966 14.937 -1.399 1.00 0.00 C ATOM 62 CG HIS A 5 5.494 15.152 -1.620 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.856 14.914 -2.803 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.531 15.535 -0.755 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.568 15.138 -2.637 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.306 15.523 -1.408 1.00 0.00 N ATOM 0 H HIS A 5 6.362 12.879 -3.073 1.00 0.00 H new ATOM 0 HA HIS A 5 8.509 13.498 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.245 15.410 -0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.511 15.453 -2.189 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.301 14.613 -3.670 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.688 15.807 0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.824 15.020 -3.411 1.00 0.00 H new ATOM 74 N SER A 6 5.500 12.296 -0.419 1.00 0.00 N ATOM 75 CA SER A 6 4.745 11.528 0.563 1.00 0.00 C ATOM 76 C SER A 6 3.897 10.493 -0.155 1.00 0.00 C ATOM 77 O SER A 6 4.077 10.273 -1.355 1.00 0.00 O ATOM 78 CB SER A 6 3.818 12.446 1.331 1.00 0.00 C ATOM 79 OG SER A 6 4.509 13.565 1.857 1.00 0.00 O ATOM 0 H SER A 6 4.962 12.554 -1.246 1.00 0.00 H new ATOM 0 HA SER A 6 5.443 11.045 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.018 12.788 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.349 11.892 2.144 1.00 0.00 H new ATOM 0 HG SER A 6 3.881 14.137 2.345 1.00 0.00 H new ATOM 85 N ILE A 7 2.979 9.877 0.566 1.00 0.00 N ATOM 86 CA ILE A 7 2.078 8.891 0.010 1.00 0.00 C ATOM 87 C ILE A 7 1.138 9.518 -1.021 1.00 0.00 C ATOM 88 O ILE A 7 0.829 8.916 -2.038 1.00 0.00 O ATOM 89 CB ILE A 7 1.234 8.212 1.122 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.482 7.010 0.554 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.284 9.202 1.809 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.372 6.281 1.546 1.00 0.00 C ATOM 0 H ILE A 7 2.838 10.050 1.561 1.00 0.00 H new ATOM 0 HA ILE A 7 2.694 8.138 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 7 1.917 7.856 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.148 7.348 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.205 6.311 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.286 8.684 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.863 10.005 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.400 9.621 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.867 5.444 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.252 5.907 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.123 6.961 1.949 1.00 0.00 H new ATOM 104 N SER A 8 0.752 10.759 -0.782 1.00 0.00 N ATOM 105 CA SER A 8 -0.189 11.434 -1.624 1.00 0.00 C ATOM 106 C SER A 8 0.512 12.000 -2.861 1.00 0.00 C ATOM 107 O SER A 8 -0.069 12.764 -3.623 1.00 0.00 O ATOM 108 CB SER A 8 -0.917 12.520 -0.822 1.00 0.00 C ATOM 109 OG SER A 8 -2.034 13.049 -1.526 1.00 0.00 O ATOM 0 H SER A 8 1.088 11.317 0.003 1.00 0.00 H new ATOM 0 HA SER A 8 -0.938 10.725 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.252 12.104 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.221 13.326 -0.590 1.00 0.00 H new ATOM 0 HG SER A 8 -1.785 13.213 -2.459 1.00 0.00 H new ATOM 115 N ASP A 9 1.767 11.636 -3.039 1.00 0.00 N ATOM 116 CA ASP A 9 2.483 11.975 -4.263 1.00 0.00 C ATOM 117 C ASP A 9 2.100 10.933 -5.299 1.00 0.00 C ATOM 118 O ASP A 9 2.105 11.179 -6.501 1.00 0.00 O ATOM 119 CB ASP A 9 3.986 11.920 -4.037 1.00 0.00 C ATOM 120 CG ASP A 9 4.807 12.509 -5.173 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.837 11.952 -6.276 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.491 13.524 -4.940 1.00 0.00 O ATOM 0 H ASP A 9 2.313 11.108 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 9 2.224 12.983 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.224 12.453 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.283 10.882 -3.889 1.00 0.00 H new ATOM 127 N TYR A 10 1.736 9.776 -4.796 1.00 0.00 N ATOM 128 CA TYR A 10 1.317 8.664 -5.597 1.00 0.00 C ATOM 129 C TYR A 10 -0.165 8.793 -5.843 1.00 0.00 C ATOM 130 O TYR A 10 -0.915 9.183 -4.935 1.00 0.00 O ATOM 131 CB TYR A 10 1.490 7.343 -4.821 1.00 0.00 C ATOM 132 CG TYR A 10 2.887 6.916 -4.406 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.635 7.624 -3.465 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.424 5.739 -4.903 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.850 7.175 -3.057 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.663 5.294 -4.498 1.00 0.00 C ATOM 137 CZ TYR A 10 5.368 6.016 -3.573 1.00 0.00 C ATOM 138 OH TYR A 10 6.603 5.573 -3.149 1.00 0.00 O ATOM 0 H TYR A 10 1.725 9.584 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 10 1.907 8.659 -6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.883 7.409 -3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.068 6.544 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.242 8.543 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.861 5.161 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.411 7.734 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.075 4.383 -4.907 1.00 0.00 H new ATOM 0 HH TYR A 10 6.754 5.860 -2.224 1.00 0.00 H new ATOM 148 N THR A 11 -0.600 8.514 -7.039 1.00 0.00 N ATOM 149 CA THR A 11 -2.013 8.355 -7.274 1.00 0.00 C ATOM 150 C THR A 11 -2.430 7.031 -6.662 1.00 0.00 C ATOM 151 O THR A 11 -1.565 6.247 -6.203 1.00 0.00 O ATOM 152 CB THR A 11 -2.357 8.317 -8.782 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.470 7.422 -9.445 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.289 9.684 -9.431 1.00 0.00 C ATOM 0 H THR A 11 -0.007 8.392 -7.860 1.00 0.00 H new ATOM 0 HA THR A 11 -2.535 9.205 -6.833 1.00 0.00 H new ATOM 0 HB THR A 11 -3.387 7.972 -8.875 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.687 7.395 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.539 9.598 -10.488 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.998 10.354 -8.944 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.281 10.086 -9.329 1.00 0.00 H new ATOM 162 N GLU A 12 -3.711 6.753 -6.679 1.00 0.00 N ATOM 163 CA GLU A 12 -4.205 5.493 -6.188 1.00 0.00 C ATOM 164 C GLU A 12 -3.573 4.388 -7.015 1.00 0.00 C ATOM 165 O GLU A 12 -3.121 3.410 -6.485 1.00 0.00 O ATOM 166 CB GLU A 12 -5.714 5.460 -6.320 1.00 0.00 C ATOM 167 CG GLU A 12 -6.397 4.234 -5.757 1.00 0.00 C ATOM 168 CD GLU A 12 -7.876 4.308 -5.970 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.544 5.117 -5.288 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.402 3.625 -6.873 1.00 0.00 O ATOM 0 H GLU A 12 -4.431 7.385 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.950 5.357 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.123 6.340 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.969 5.542 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.000 3.339 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.182 4.149 -4.692 1.00 0.00 H new ATOM 177 N ALA A 13 -3.458 4.649 -8.314 1.00 0.00 N ATOM 178 CA ALA A 13 -2.883 3.715 -9.275 1.00 0.00 C ATOM 179 C ALA A 13 -1.397 3.430 -8.998 1.00 0.00 C ATOM 180 O ALA A 13 -0.994 2.277 -8.933 1.00 0.00 O ATOM 181 CB ALA A 13 -3.065 4.241 -10.683 1.00 0.00 C ATOM 0 H ALA A 13 -3.766 5.526 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.415 2.770 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.632 3.537 -11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.128 4.360 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.566 5.205 -10.779 1.00 0.00 H new ATOM 187 N GLU A 14 -0.600 4.485 -8.815 1.00 0.00 N ATOM 188 CA GLU A 14 0.855 4.352 -8.547 1.00 0.00 C ATOM 189 C GLU A 14 1.106 3.642 -7.247 1.00 0.00 C ATOM 190 O GLU A 14 2.051 2.858 -7.113 1.00 0.00 O ATOM 191 CB GLU A 14 1.510 5.716 -8.501 1.00 0.00 C ATOM 192 CG GLU A 14 1.433 6.482 -9.789 1.00 0.00 C ATOM 193 CD GLU A 14 1.840 7.912 -9.609 1.00 0.00 C ATOM 194 OE1 GLU A 14 0.975 8.737 -9.268 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.027 8.243 -9.800 1.00 0.00 O ATOM 0 H GLU A 14 -0.929 5.450 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 14 1.286 3.765 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.041 6.305 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.558 5.594 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.077 6.011 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.415 6.439 -10.177 1.00 0.00 H new ATOM 202 N PHE A 15 0.273 3.903 -6.294 1.00 0.00 N ATOM 203 CA PHE A 15 0.394 3.268 -5.025 1.00 0.00 C ATOM 204 C PHE A 15 -0.127 1.865 -5.122 1.00 0.00 C ATOM 205 O PHE A 15 0.327 0.997 -4.467 1.00 0.00 O ATOM 206 CB PHE A 15 -0.292 4.052 -3.942 1.00 0.00 C ATOM 207 CG PHE A 15 0.139 3.628 -2.590 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.271 4.181 -2.021 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.569 2.681 -1.885 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.685 3.793 -0.778 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.157 2.300 -0.644 1.00 0.00 C ATOM 212 CZ PHE A 15 0.965 2.851 -0.095 1.00 0.00 C ATOM 0 H PHE A 15 -0.505 4.558 -6.372 1.00 0.00 H new ATOM 0 HA PHE A 15 1.447 3.230 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.080 5.113 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.371 3.929 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.833 4.926 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.454 2.239 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.572 4.226 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.719 1.560 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.287 2.540 0.888 1.00 0.00 H new ATOM 222 N LEU A 16 -1.079 1.663 -5.942 1.00 0.00 N ATOM 223 CA LEU A 16 -1.614 0.344 -6.182 1.00 0.00 C ATOM 224 C LEU A 16 -0.575 -0.506 -6.881 1.00 0.00 C ATOM 225 O LEU A 16 -0.564 -1.729 -6.777 1.00 0.00 O ATOM 226 CB LEU A 16 -2.896 0.501 -6.966 1.00 0.00 C ATOM 227 CG LEU A 16 -3.808 -0.649 -7.007 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.214 -0.155 -7.054 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.586 -1.466 -8.199 1.00 0.00 C ATOM 0 H LEU A 16 -1.529 2.402 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.852 -0.176 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.442 1.349 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.634 0.760 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.623 -1.252 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.897 -1.004 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.419 0.444 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.355 0.457 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.278 -2.308 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.753 -0.862 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.561 -1.838 -8.199 1.00 0.00 H new ATOM 241 N GLU A 17 0.300 0.143 -7.552 1.00 0.00 N ATOM 242 CA GLU A 17 1.425 -0.517 -8.116 1.00 0.00 C ATOM 243 C GLU A 17 2.437 -0.886 -7.016 1.00 0.00 C ATOM 244 O GLU A 17 3.245 -1.764 -7.224 1.00 0.00 O ATOM 245 CB GLU A 17 2.120 0.304 -9.188 1.00 0.00 C ATOM 246 CG GLU A 17 1.294 0.612 -10.409 1.00 0.00 C ATOM 247 CD GLU A 17 2.091 1.377 -11.422 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.154 2.617 -11.332 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.706 0.744 -12.318 1.00 0.00 O ATOM 0 H GLU A 17 0.261 1.147 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 17 1.044 -1.419 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.446 1.245 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.018 -0.228 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.934 -0.317 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.416 1.190 -10.121 1.00 0.00 H new ATOM 256 N PHE A 18 2.374 -0.196 -5.832 1.00 0.00 N ATOM 257 CA PHE A 18 3.280 -0.507 -4.666 1.00 0.00 C ATOM 258 C PHE A 18 3.151 -1.953 -4.374 1.00 0.00 C ATOM 259 O PHE A 18 4.111 -2.705 -4.368 1.00 0.00 O ATOM 260 CB PHE A 18 2.938 0.342 -3.320 1.00 0.00 C ATOM 261 CG PHE A 18 2.170 -0.379 -2.104 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.764 -0.478 -2.043 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.874 -0.930 -1.039 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.118 -1.107 -0.958 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.225 -1.546 0.029 1.00 0.00 C ATOM 266 CZ PHE A 18 0.857 -1.632 0.065 1.00 0.00 C ATOM 0 H PHE A 18 1.719 0.566 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 18 4.294 -0.226 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.879 0.728 -2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.340 1.203 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.170 -0.063 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.953 -0.879 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.960 -1.174 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.807 -1.961 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.366 -2.112 0.898 1.00 0.00 H new ATOM 276 N VAL A 19 1.937 -2.331 -4.218 1.00 0.00 N ATOM 277 CA VAL A 19 1.599 -3.642 -3.832 1.00 0.00 C ATOM 278 C VAL A 19 1.795 -4.633 -4.962 1.00 0.00 C ATOM 279 O VAL A 19 2.235 -5.746 -4.732 1.00 0.00 O ATOM 280 CB VAL A 19 0.190 -3.690 -3.216 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.884 -3.261 -4.179 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.095 -5.012 -2.570 1.00 0.00 C ATOM 0 H VAL A 19 1.133 -1.719 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 19 2.290 -3.953 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 19 0.174 -2.948 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.856 -3.316 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.697 -2.236 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.879 -3.920 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.100 -5.002 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.022 -5.804 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.630 -5.193 -1.776 1.00 0.00 H new ATOM 292 N LYS A 20 1.501 -4.215 -6.181 1.00 0.00 N ATOM 293 CA LYS A 20 1.728 -5.071 -7.334 1.00 0.00 C ATOM 294 C LYS A 20 3.218 -5.358 -7.492 1.00 0.00 C ATOM 295 O LYS A 20 3.622 -6.467 -7.868 1.00 0.00 O ATOM 296 CB LYS A 20 1.190 -4.456 -8.607 1.00 0.00 C ATOM 297 CG LYS A 20 -0.306 -4.344 -8.631 1.00 0.00 C ATOM 298 CD LYS A 20 -0.774 -3.912 -9.977 1.00 0.00 C ATOM 299 CE LYS A 20 -2.275 -3.857 -10.077 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.721 -3.555 -11.448 1.00 0.00 N ATOM 0 H LYS A 20 1.109 -3.299 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 20 1.191 -6.003 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.623 -3.464 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.515 -5.056 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.753 -5.305 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.635 -3.628 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.362 -2.928 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.388 -4.599 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.696 -4.811 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.657 -3.098 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.760 -3.526 -11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.340 -2.633 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.378 -4.293 -12.095 1.00 0.00 H new ATOM 314 N LYS A 21 4.020 -4.351 -7.186 1.00 0.00 N ATOM 315 CA LYS A 21 5.460 -4.446 -7.206 1.00 0.00 C ATOM 316 C LYS A 21 5.909 -5.439 -6.167 1.00 0.00 C ATOM 317 O LYS A 21 6.637 -6.348 -6.477 1.00 0.00 O ATOM 318 CB LYS A 21 6.091 -3.073 -6.940 1.00 0.00 C ATOM 319 CG LYS A 21 7.607 -3.048 -7.012 1.00 0.00 C ATOM 320 CD LYS A 21 8.166 -1.659 -6.705 1.00 0.00 C ATOM 321 CE LYS A 21 7.665 -0.591 -7.684 1.00 0.00 C ATOM 322 NZ LYS A 21 8.029 -0.888 -9.086 1.00 0.00 N ATOM 0 H LYS A 21 3.676 -3.430 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 21 5.784 -4.784 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.695 -2.360 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.782 -2.731 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.017 -3.769 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.929 -3.358 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.887 -1.376 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.255 -1.694 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.581 -0.510 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.079 0.377 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.757 -0.088 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.056 -1.040 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.531 -1.745 -9.400 1.00 0.00 H new ATOM 336 N ILE A 22 5.426 -5.284 -4.947 1.00 0.00 N ATOM 337 CA ILE A 22 5.775 -6.192 -3.853 1.00 0.00 C ATOM 338 C ILE A 22 5.291 -7.615 -4.182 1.00 0.00 C ATOM 339 O ILE A 22 5.937 -8.603 -3.859 1.00 0.00 O ATOM 340 CB ILE A 22 5.172 -5.718 -2.504 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.549 -4.261 -2.250 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.709 -6.579 -1.369 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.943 -3.667 -1.013 1.00 0.00 C ATOM 0 H ILE A 22 4.787 -4.535 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 22 6.860 -6.193 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 22 4.087 -5.810 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.634 -4.187 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.245 -3.665 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.283 -6.242 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.434 -7.620 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.795 -6.492 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.265 -2.630 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.856 -3.704 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.267 -4.234 -0.141 1.00 0.00 H new ATOM 355 N CYS A 23 4.166 -7.693 -4.864 1.00 0.00 N ATOM 356 CA CYS A 23 3.592 -8.946 -5.310 1.00 0.00 C ATOM 357 C CYS A 23 4.538 -9.657 -6.303 1.00 0.00 C ATOM 358 O CYS A 23 4.550 -10.868 -6.385 1.00 0.00 O ATOM 359 CB CYS A 23 2.210 -8.689 -5.943 1.00 0.00 C ATOM 360 SG CYS A 23 1.287 -10.157 -6.439 1.00 0.00 S ATOM 0 H CYS A 23 3.617 -6.875 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 23 3.463 -9.604 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.605 -8.126 -5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.345 -8.055 -6.819 1.00 0.00 H new ATOM 0 HG CYS A 23 0.147 -9.800 -6.952 1.00 0.00 H new ATOM 366 N ARG A 24 5.321 -8.898 -7.061 1.00 0.00 N ATOM 367 CA ARG A 24 6.291 -9.511 -7.963 1.00 0.00 C ATOM 368 C ARG A 24 7.709 -9.498 -7.365 1.00 0.00 C ATOM 369 O ARG A 24 8.661 -10.023 -7.952 1.00 0.00 O ATOM 370 CB ARG A 24 6.276 -8.880 -9.359 1.00 0.00 C ATOM 371 CG ARG A 24 6.720 -7.439 -9.448 1.00 0.00 C ATOM 372 CD ARG A 24 6.853 -7.042 -10.900 1.00 0.00 C ATOM 373 NE ARG A 24 7.387 -5.691 -11.074 1.00 0.00 N ATOM 374 CZ ARG A 24 8.317 -5.354 -11.977 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.860 -6.278 -12.762 1.00 0.00 N ATOM 376 NH2 ARG A 24 8.703 -4.098 -12.091 1.00 0.00 N ATOM 0 H ARG A 24 5.306 -7.878 -7.071 1.00 0.00 H new ATOM 0 HA ARG A 24 5.985 -10.551 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.916 -9.476 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.263 -8.951 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.998 -6.793 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.673 -7.309 -8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.505 -7.753 -11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.876 -7.106 -11.380 1.00 0.00 H new ATOM 0 HE ARG A 24 7.026 -4.956 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.569 -7.252 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.568 -6.013 -13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.293 -3.382 -11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.411 -3.843 -12.779 1.00 0.00 H new ATOM 390 N ALA A 25 7.840 -8.880 -6.217 1.00 0.00 N ATOM 391 CA ALA A 25 9.107 -8.730 -5.515 1.00 0.00 C ATOM 392 C ALA A 25 9.141 -9.604 -4.273 1.00 0.00 C ATOM 393 O ALA A 25 9.933 -9.357 -3.359 1.00 0.00 O ATOM 394 CB ALA A 25 9.349 -7.273 -5.147 1.00 0.00 C ATOM 0 H ALA A 25 7.054 -8.454 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 25 9.905 -9.053 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.301 -7.183 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.375 -6.668 -6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.545 -6.923 -4.500 1.00 0.00 H new ATOM 400 N GLU A 26 8.299 -10.626 -4.269 1.00 0.00 N ATOM 401 CA GLU A 26 8.140 -11.546 -3.145 1.00 0.00 C ATOM 402 C GLU A 26 9.462 -12.113 -2.652 1.00 0.00 C ATOM 403 O GLU A 26 9.651 -12.301 -1.439 1.00 0.00 O ATOM 404 CB GLU A 26 7.238 -12.703 -3.530 1.00 0.00 C ATOM 405 CG GLU A 26 5.832 -12.303 -3.893 1.00 0.00 C ATOM 406 CD GLU A 26 5.019 -13.478 -4.323 1.00 0.00 C ATOM 407 OE1 GLU A 26 4.430 -14.153 -3.461 1.00 0.00 O ATOM 408 OE2 GLU A 26 4.971 -13.771 -5.531 1.00 0.00 O ATOM 0 H GLU A 26 7.694 -10.846 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 26 7.697 -10.962 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.683 -13.229 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.199 -13.409 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.357 -11.825 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.859 -11.565 -4.695 1.00 0.00 H new ATOM 415 N GLY A 27 10.380 -12.393 -3.557 1.00 0.00 N ATOM 416 CA GLY A 27 11.586 -12.957 -3.100 1.00 0.00 C ATOM 417 C GLY A 27 12.754 -12.950 -4.053 1.00 0.00 C ATOM 418 O GLY A 27 12.957 -13.899 -4.808 1.00 0.00 O ATOM 0 H GLY A 27 10.301 -12.240 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.885 -12.428 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.389 -13.990 -2.815 1.00 0.00 H new ATOM 422 N ALA A 28 13.504 -11.864 -4.066 1.00 0.00 N ATOM 423 CA ALA A 28 14.862 -11.926 -4.609 1.00 0.00 C ATOM 424 C ALA A 28 15.665 -12.449 -3.431 1.00 0.00 C ATOM 425 O ALA A 28 16.635 -13.202 -3.534 1.00 0.00 O ATOM 426 CB ALA A 28 15.355 -10.543 -5.022 1.00 0.00 C ATOM 0 H ALA A 28 13.214 -10.950 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 28 14.939 -12.544 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.366 -10.621 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.694 -10.134 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.358 -9.884 -4.154 1.00 0.00 H new ATOM 432 N THR A 29 15.182 -12.005 -2.308 1.00 0.00 N ATOM 433 CA THR A 29 15.490 -12.384 -0.979 1.00 0.00 C ATOM 434 C THR A 29 14.274 -11.797 -0.270 1.00 0.00 C ATOM 435 O THR A 29 13.708 -10.821 -0.803 1.00 0.00 O ATOM 436 CB THR A 29 16.769 -11.693 -0.458 1.00 0.00 C ATOM 437 OG1 THR A 29 17.768 -11.655 -1.498 1.00 0.00 O ATOM 438 CG2 THR A 29 17.342 -12.470 0.715 1.00 0.00 C ATOM 0 H THR A 29 14.471 -11.274 -2.316 1.00 0.00 H new ATOM 0 HA THR A 29 15.671 -13.451 -0.847 1.00 0.00 H new ATOM 0 HB THR A 29 16.507 -10.681 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.575 -11.214 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.244 -11.974 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.606 -12.512 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.588 -13.483 0.395 1.00 0.00 H new ATOM 446 N GLU A 30 13.836 -12.320 0.841 1.00 0.00 N ATOM 447 CA GLU A 30 12.579 -11.818 1.428 1.00 0.00 C ATOM 448 C GLU A 30 12.734 -10.428 2.010 1.00 0.00 C ATOM 449 O GLU A 30 11.746 -9.708 2.198 1.00 0.00 O ATOM 450 CB GLU A 30 11.950 -12.781 2.429 1.00 0.00 C ATOM 451 CG GLU A 30 12.748 -13.023 3.689 1.00 0.00 C ATOM 452 CD GLU A 30 11.988 -13.861 4.675 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.209 -13.297 5.477 1.00 0.00 O ATOM 454 OE2 GLU A 30 12.152 -15.097 4.671 1.00 0.00 O ATOM 0 H GLU A 30 14.296 -13.068 1.360 1.00 0.00 H new ATOM 0 HA GLU A 30 11.878 -11.748 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.969 -12.397 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.788 -13.738 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.685 -13.519 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.006 -12.067 4.146 1.00 0.00 H new ATOM 461 N GLU A 31 13.972 -10.048 2.281 1.00 0.00 N ATOM 462 CA GLU A 31 14.282 -8.708 2.723 1.00 0.00 C ATOM 463 C GLU A 31 13.926 -7.684 1.641 1.00 0.00 C ATOM 464 O GLU A 31 13.550 -6.573 1.956 1.00 0.00 O ATOM 465 CB GLU A 31 15.759 -8.576 3.106 1.00 0.00 C ATOM 466 CG GLU A 31 16.726 -8.967 2.003 1.00 0.00 C ATOM 467 CD GLU A 31 18.146 -8.614 2.327 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.817 -9.374 3.036 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.618 -7.559 1.861 1.00 0.00 O ATOM 0 H GLU A 31 14.784 -10.660 2.200 1.00 0.00 H new ATOM 0 HA GLU A 31 13.680 -8.507 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.956 -7.544 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.953 -9.197 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.654 -10.040 1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.435 -8.471 1.077 1.00 0.00 H new ATOM 476 N ASP A 32 14.004 -8.093 0.360 1.00 0.00 N ATOM 477 CA ASP A 32 13.725 -7.178 -0.760 1.00 0.00 C ATOM 478 C ASP A 32 12.260 -6.791 -0.736 1.00 0.00 C ATOM 479 O ASP A 32 11.905 -5.624 -0.876 1.00 0.00 O ATOM 480 CB ASP A 32 14.104 -7.806 -2.110 1.00 0.00 C ATOM 481 CG ASP A 32 14.106 -6.792 -3.248 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.023 -5.947 -3.278 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.226 -6.843 -4.144 1.00 0.00 O ATOM 0 H ASP A 32 14.255 -9.041 0.078 1.00 0.00 H new ATOM 0 HA ASP A 32 14.337 -6.284 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.092 -8.260 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.403 -8.607 -2.343 1.00 0.00 H new ATOM 488 N ASP A 33 11.437 -7.794 -0.484 1.00 0.00 N ATOM 489 CA ASP A 33 9.982 -7.650 -0.293 1.00 0.00 C ATOM 490 C ASP A 33 9.717 -6.731 0.899 1.00 0.00 C ATOM 491 O ASP A 33 9.142 -5.642 0.760 1.00 0.00 O ATOM 492 CB ASP A 33 9.382 -9.067 -0.032 1.00 0.00 C ATOM 493 CG ASP A 33 7.921 -9.113 0.446 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.677 -8.887 1.653 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.024 -9.471 -0.353 1.00 0.00 O ATOM 0 H ASP A 33 11.758 -8.759 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 33 9.518 -7.213 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.459 -9.645 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.001 -9.568 0.712 1.00 0.00 H new ATOM 500 N ASN A 34 10.245 -7.139 2.036 1.00 0.00 N ATOM 501 CA ASN A 34 10.051 -6.482 3.318 1.00 0.00 C ATOM 502 C ASN A 34 10.521 -5.024 3.323 1.00 0.00 C ATOM 503 O ASN A 34 9.825 -4.151 3.850 1.00 0.00 O ATOM 504 CB ASN A 34 10.727 -7.347 4.399 1.00 0.00 C ATOM 505 CG ASN A 34 10.704 -6.838 5.837 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.797 -5.653 6.125 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.591 -7.755 6.753 1.00 0.00 N ATOM 0 H ASN A 34 10.841 -7.964 2.097 1.00 0.00 H new ATOM 0 HA ASN A 34 8.985 -6.407 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.256 -8.330 4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.769 -7.489 4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.578 -7.493 7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.515 -8.736 6.486 1.00 0.00 H new ATOM 514 N LYS A 35 11.658 -4.733 2.708 1.00 0.00 N ATOM 515 CA LYS A 35 12.157 -3.370 2.717 1.00 0.00 C ATOM 516 C LYS A 35 11.286 -2.450 1.881 1.00 0.00 C ATOM 517 O LYS A 35 11.207 -1.243 2.168 1.00 0.00 O ATOM 518 CB LYS A 35 13.621 -3.271 2.302 1.00 0.00 C ATOM 519 CG LYS A 35 13.913 -3.594 0.853 1.00 0.00 C ATOM 520 CD LYS A 35 15.404 -3.605 0.600 1.00 0.00 C ATOM 521 CE LYS A 35 16.065 -2.245 0.840 1.00 0.00 C ATOM 522 NZ LYS A 35 15.581 -1.188 -0.083 1.00 0.00 N ATOM 0 H LYS A 35 12.239 -5.406 2.208 1.00 0.00 H new ATOM 0 HA LYS A 35 12.104 -3.035 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.971 -2.259 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.204 -3.944 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.488 -4.565 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.435 -2.858 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.871 -4.348 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.590 -3.916 -0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.878 -1.934 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.144 -2.348 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.102 -0.306 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.736 -1.488 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.565 -1.028 0.074 1.00 0.00 H new ATOM 536 N LEU A 36 10.632 -2.996 0.848 1.00 0.00 N ATOM 537 CA LEU A 36 9.705 -2.199 0.066 1.00 0.00 C ATOM 538 C LEU A 36 8.501 -1.930 0.913 1.00 0.00 C ATOM 539 O LEU A 36 8.089 -0.784 1.071 1.00 0.00 O ATOM 540 CB LEU A 36 9.283 -2.886 -1.245 1.00 0.00 C ATOM 541 CG LEU A 36 10.388 -3.141 -2.271 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.818 -3.857 -3.481 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.041 -1.827 -2.692 1.00 0.00 C ATOM 0 H LEU A 36 10.730 -3.965 0.546 1.00 0.00 H new ATOM 0 HA LEU A 36 10.204 -1.274 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.822 -3.842 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.514 -2.275 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 36 11.150 -3.772 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.612 -4.034 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.390 -4.810 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.042 -3.241 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.825 -2.028 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.290 -1.173 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.475 -1.340 -1.819 1.00 0.00 H new ATOM 555 N VAL A 37 7.992 -2.998 1.523 1.00 0.00 N ATOM 556 CA VAL A 37 6.840 -2.933 2.409 1.00 0.00 C ATOM 557 C VAL A 37 7.038 -1.852 3.464 1.00 0.00 C ATOM 558 O VAL A 37 6.183 -1.011 3.652 1.00 0.00 O ATOM 559 CB VAL A 37 6.581 -4.294 3.126 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.390 -4.176 4.041 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.342 -5.412 2.130 1.00 0.00 C ATOM 0 H VAL A 37 8.373 -3.938 1.413 1.00 0.00 H new ATOM 0 HA VAL A 37 5.976 -2.696 1.788 1.00 0.00 H new ATOM 0 HB VAL A 37 7.472 -4.537 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.217 -5.131 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.581 -3.407 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.509 -3.904 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.165 -6.345 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.472 -5.174 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.217 -5.522 1.489 1.00 0.00 H new ATOM 571 N ARG A 38 8.194 -1.856 4.094 1.00 0.00 N ATOM 572 CA ARG A 38 8.497 -0.907 5.147 1.00 0.00 C ATOM 573 C ARG A 38 8.412 0.560 4.719 1.00 0.00 C ATOM 574 O ARG A 38 7.856 1.368 5.447 1.00 0.00 O ATOM 575 CB ARG A 38 9.822 -1.210 5.825 1.00 0.00 C ATOM 576 CG ARG A 38 9.786 -2.461 6.680 1.00 0.00 C ATOM 577 CD ARG A 38 11.084 -2.668 7.430 1.00 0.00 C ATOM 578 NE ARG A 38 12.198 -3.025 6.543 1.00 0.00 N ATOM 579 CZ ARG A 38 13.367 -2.362 6.469 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.515 -1.186 7.085 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.383 -2.872 5.775 1.00 0.00 N ATOM 0 H ARG A 38 8.947 -2.513 3.893 1.00 0.00 H new ATOM 0 HA ARG A 38 7.702 -1.044 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.595 -1.321 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.106 -0.361 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.963 -2.391 7.391 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.589 -3.327 6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.335 -1.757 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.949 -3.455 8.172 1.00 0.00 H new ATOM 0 HE ARG A 38 12.077 -3.837 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.740 -0.787 7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.403 -0.688 7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.276 -3.767 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.268 -2.367 5.721 1.00 0.00 H new ATOM 595 N GLU A 39 8.908 0.908 3.530 1.00 0.00 N ATOM 596 CA GLU A 39 8.863 2.315 3.128 1.00 0.00 C ATOM 597 C GLU A 39 7.431 2.723 2.828 1.00 0.00 C ATOM 598 O GLU A 39 6.996 3.822 3.196 1.00 0.00 O ATOM 599 CB GLU A 39 9.809 2.651 1.948 1.00 0.00 C ATOM 600 CG GLU A 39 9.431 2.058 0.600 1.00 0.00 C ATOM 601 CD GLU A 39 10.398 2.452 -0.489 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.610 2.117 -0.393 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.978 3.106 -1.469 1.00 0.00 O ATOM 0 H GLU A 39 9.328 0.268 2.855 1.00 0.00 H new ATOM 0 HA GLU A 39 9.234 2.900 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.858 3.735 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.812 2.310 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.399 0.971 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.428 2.387 0.329 1.00 0.00 H new ATOM 610 N PHE A 40 6.688 1.802 2.235 1.00 0.00 N ATOM 611 CA PHE A 40 5.315 2.038 1.880 1.00 0.00 C ATOM 612 C PHE A 40 4.422 2.080 3.117 1.00 0.00 C ATOM 613 O PHE A 40 3.563 2.941 3.237 1.00 0.00 O ATOM 614 CB PHE A 40 4.824 1.015 0.861 1.00 0.00 C ATOM 615 CG PHE A 40 5.479 1.116 -0.510 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.319 2.247 -1.297 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.219 0.062 -1.020 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.888 2.320 -2.557 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.793 0.130 -2.274 1.00 0.00 C ATOM 620 CZ PHE A 40 6.629 1.256 -3.045 1.00 0.00 C ATOM 0 H PHE A 40 7.029 0.872 1.990 1.00 0.00 H new ATOM 0 HA PHE A 40 5.257 3.018 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.997 0.015 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.746 1.129 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.744 3.081 -0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.350 -0.830 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.754 3.206 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.371 -0.702 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.076 1.311 -4.027 1.00 0.00 H new ATOM 630 N GLU A 41 4.680 1.196 4.055 1.00 0.00 N ATOM 631 CA GLU A 41 3.941 1.142 5.299 1.00 0.00 C ATOM 632 C GLU A 41 4.186 2.324 6.219 1.00 0.00 C ATOM 633 O GLU A 41 3.419 2.589 7.143 1.00 0.00 O ATOM 634 CB GLU A 41 4.101 -0.207 5.984 1.00 0.00 C ATOM 635 CG GLU A 41 3.115 -1.184 5.395 1.00 0.00 C ATOM 636 CD GLU A 41 1.756 -0.563 5.455 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.226 -0.480 6.569 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.226 -0.117 4.428 1.00 0.00 O ATOM 0 H GLU A 41 5.412 0.490 3.977 1.00 0.00 H new ATOM 0 HA GLU A 41 2.889 1.238 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.118 -0.576 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.934 -0.106 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.381 -1.419 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.130 -2.122 5.950 1.00 0.00 H new ATOM 645 N ARG A 42 5.244 3.045 5.964 1.00 0.00 N ATOM 646 CA ARG A 42 5.517 4.273 6.692 1.00 0.00 C ATOM 647 C ARG A 42 4.802 5.434 6.023 1.00 0.00 C ATOM 648 O ARG A 42 4.566 6.469 6.635 1.00 0.00 O ATOM 649 CB ARG A 42 7.011 4.530 6.772 1.00 0.00 C ATOM 650 CG ARG A 42 7.766 3.503 7.583 1.00 0.00 C ATOM 651 CD ARG A 42 9.263 3.764 7.572 1.00 0.00 C ATOM 652 NE ARG A 42 9.635 5.012 8.252 1.00 0.00 N ATOM 653 CZ ARG A 42 10.891 5.473 8.358 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.897 4.849 7.726 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.142 6.562 9.084 1.00 0.00 N ATOM 0 H ARG A 42 5.939 2.809 5.256 1.00 0.00 H new ATOM 0 HA ARG A 42 5.144 4.171 7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.420 4.554 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.177 5.516 7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.403 3.513 8.611 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.568 2.508 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.775 2.930 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.612 3.802 6.540 1.00 0.00 H new ATOM 0 HE ARG A 42 8.888 5.566 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.709 4.020 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.850 5.203 7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.380 7.045 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.097 6.912 9.165 1.00 0.00 H new ATOM 669 N LEU A 43 4.459 5.248 4.771 1.00 0.00 N ATOM 670 CA LEU A 43 3.711 6.235 4.019 1.00 0.00 C ATOM 671 C LEU A 43 2.248 6.178 4.445 1.00 0.00 C ATOM 672 O LEU A 43 1.604 7.203 4.684 1.00 0.00 O ATOM 673 CB LEU A 43 3.828 5.937 2.515 1.00 0.00 C ATOM 674 CG LEU A 43 5.213 6.061 1.899 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.189 5.598 0.459 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.687 7.493 1.970 1.00 0.00 C ATOM 0 H LEU A 43 4.690 4.407 4.241 1.00 0.00 H new ATOM 0 HA LEU A 43 4.111 7.230 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.468 4.923 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.157 6.610 1.982 1.00 0.00 H new ATOM 0 HG LEU A 43 5.902 5.430 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.187 5.692 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.873 4.556 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.490 6.212 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.680 7.570 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.994 8.133 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.730 7.811 3.012 1.00 0.00 H new ATOM 688 N THR A 44 1.759 4.974 4.572 1.00 0.00 N ATOM 689 CA THR A 44 0.390 4.706 4.922 1.00 0.00 C ATOM 690 C THR A 44 0.154 4.879 6.402 1.00 0.00 C ATOM 691 O THR A 44 -0.934 5.319 6.819 1.00 0.00 O ATOM 692 CB THR A 44 0.071 3.267 4.516 1.00 0.00 C ATOM 693 OG1 THR A 44 1.016 2.411 5.142 1.00 0.00 O ATOM 694 CG2 THR A 44 0.231 3.152 3.046 1.00 0.00 C ATOM 0 H THR A 44 2.316 4.131 4.431 1.00 0.00 H new ATOM 0 HA THR A 44 -0.257 5.412 4.401 1.00 0.00 H new ATOM 0 HB THR A 44 -0.943 2.997 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.173 1.627 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.008 2.132 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.453 3.841 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.256 3.399 2.771 1.00 0.00 H new ATOM 702 N GLU A 45 1.200 4.523 7.197 1.00 0.00 N ATOM 703 CA GLU A 45 1.140 4.482 8.660 1.00 0.00 C ATOM 704 C GLU A 45 0.173 3.384 9.043 1.00 0.00 C ATOM 705 O GLU A 45 -0.324 3.322 10.179 1.00 0.00 O ATOM 706 CB GLU A 45 0.679 5.824 9.242 1.00 0.00 C ATOM 707 CG GLU A 45 1.622 6.979 9.013 1.00 0.00 C ATOM 708 CD GLU A 45 1.101 8.246 9.620 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.038 8.734 9.187 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.738 8.805 10.534 1.00 0.00 O ATOM 0 H GLU A 45 2.111 4.256 6.823 1.00 0.00 H new ATOM 0 HA GLU A 45 2.133 4.286 9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.290 6.075 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.529 5.705 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.597 6.744 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.770 7.122 7.943 1.00 0.00 H new ATOM 717 N HIS A 46 -0.036 2.475 8.106 1.00 0.00 N ATOM 718 CA HIS A 46 -1.031 1.482 8.238 1.00 0.00 C ATOM 719 C HIS A 46 -0.558 0.355 9.200 1.00 0.00 C ATOM 720 O HIS A 46 0.596 -0.037 9.213 1.00 0.00 O ATOM 721 CB HIS A 46 -1.507 0.971 6.830 1.00 0.00 C ATOM 722 CG HIS A 46 -2.762 0.155 6.877 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.821 -1.104 7.392 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.037 0.513 6.637 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.095 -1.453 7.498 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.881 -0.515 7.039 1.00 0.00 N ATOM 0 H HIS A 46 0.495 2.424 7.236 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.916 1.916 8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.667 1.829 6.177 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.713 0.374 6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.353 1.449 6.202 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.439 -2.390 7.910 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.899 -0.534 6.987 1.00 0.00 H new ATOM 734 N PRO A 47 -1.441 -0.071 10.084 1.00 0.00 N ATOM 735 CA PRO A 47 -1.167 -1.092 11.088 1.00 0.00 C ATOM 736 C PRO A 47 -0.873 -2.453 10.525 1.00 0.00 C ATOM 737 O PRO A 47 0.159 -3.057 10.806 1.00 0.00 O ATOM 738 CB PRO A 47 -2.462 -1.155 11.880 1.00 0.00 C ATOM 739 CG PRO A 47 -3.474 -0.412 11.115 1.00 0.00 C ATOM 740 CD PRO A 47 -2.761 0.485 10.221 1.00 0.00 C ATOM 0 HA PRO A 47 -0.276 -0.831 11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.773 -2.189 12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.330 -0.718 12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.108 -1.095 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.127 0.149 11.784 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.260 0.552 9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.720 1.495 10.630 1.00 0.00 H new ATOM 748 N ASP A 48 -1.745 -2.899 9.689 1.00 0.00 N ATOM 749 CA ASP A 48 -1.709 -4.236 9.198 1.00 0.00 C ATOM 750 C ASP A 48 -1.301 -4.179 7.783 1.00 0.00 C ATOM 751 O ASP A 48 -1.550 -5.082 7.031 1.00 0.00 O ATOM 752 CB ASP A 48 -3.091 -4.886 9.261 1.00 0.00 C ATOM 753 CG ASP A 48 -3.728 -4.832 10.609 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.445 -5.700 11.460 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.557 -3.926 10.824 1.00 0.00 O ATOM 0 H ASP A 48 -2.514 -2.339 9.321 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.018 -4.820 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.745 -4.394 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.005 -5.928 8.953 1.00 0.00 H new ATOM 760 N GLY A 49 -0.665 -3.092 7.431 1.00 0.00 N ATOM 761 CA GLY A 49 -0.305 -2.849 6.033 1.00 0.00 C ATOM 762 C GLY A 49 0.586 -3.878 5.473 1.00 0.00 C ATOM 763 O GLY A 49 0.384 -4.337 4.353 1.00 0.00 O ATOM 0 H GLY A 49 -0.381 -2.357 8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.214 -2.801 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.180 -1.876 5.954 1.00 0.00 H new ATOM 767 N SER A 50 1.550 -4.261 6.242 1.00 0.00 N ATOM 768 CA SER A 50 2.429 -5.332 5.818 1.00 0.00 C ATOM 769 C SER A 50 1.598 -6.618 5.651 1.00 0.00 C ATOM 770 O SER A 50 1.672 -7.280 4.620 1.00 0.00 O ATOM 771 CB SER A 50 3.558 -5.546 6.814 1.00 0.00 C ATOM 772 OG SER A 50 4.185 -4.300 7.158 1.00 0.00 O ATOM 0 H SER A 50 1.759 -3.863 7.158 1.00 0.00 H new ATOM 0 HA SER A 50 2.887 -5.064 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.168 -6.022 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.298 -6.225 6.390 1.00 0.00 H new ATOM 0 HG SER A 50 4.906 -4.463 7.801 1.00 0.00 H new ATOM 778 N ASP A 51 0.741 -6.898 6.647 1.00 0.00 N ATOM 779 CA ASP A 51 -0.150 -8.073 6.640 1.00 0.00 C ATOM 780 C ASP A 51 -1.051 -8.092 5.429 1.00 0.00 C ATOM 781 O ASP A 51 -1.279 -9.130 4.879 1.00 0.00 O ATOM 782 CB ASP A 51 -1.023 -8.161 7.902 1.00 0.00 C ATOM 783 CG ASP A 51 -0.263 -8.520 9.148 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.105 -9.731 9.434 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.165 -7.605 9.877 1.00 0.00 O ATOM 0 H ASP A 51 0.646 -6.317 7.480 1.00 0.00 H new ATOM 0 HA ASP A 51 0.515 -8.936 6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.520 -7.203 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.805 -8.903 7.739 1.00 0.00 H new ATOM 790 N LEU A 52 -1.520 -6.918 5.003 1.00 0.00 N ATOM 791 CA LEU A 52 -2.418 -6.768 3.833 1.00 0.00 C ATOM 792 C LEU A 52 -1.827 -7.404 2.597 1.00 0.00 C ATOM 793 O LEU A 52 -2.528 -8.013 1.805 1.00 0.00 O ATOM 794 CB LEU A 52 -2.652 -5.286 3.503 1.00 0.00 C ATOM 795 CG LEU A 52 -3.286 -4.404 4.564 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.408 -2.987 4.035 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.649 -4.944 4.982 1.00 0.00 C ATOM 0 H LEU A 52 -1.292 -6.033 5.456 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.353 -7.258 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.689 -4.848 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.279 -5.239 2.613 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.649 -4.403 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.863 -2.353 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.418 -2.604 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.031 -2.985 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.080 -4.293 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.309 -4.976 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.533 -5.949 5.387 1.00 0.00 H new ATOM 809 N ILE A 53 -0.525 -7.295 2.484 1.00 0.00 N ATOM 810 CA ILE A 53 0.209 -7.715 1.306 1.00 0.00 C ATOM 811 C ILE A 53 0.321 -9.214 1.288 1.00 0.00 C ATOM 812 O ILE A 53 0.395 -9.852 0.231 1.00 0.00 O ATOM 813 CB ILE A 53 1.613 -7.086 1.352 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.477 -5.567 1.427 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.466 -7.508 0.152 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.765 -4.859 1.683 1.00 0.00 C ATOM 0 H ILE A 53 0.067 -6.906 3.218 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.312 -7.391 0.405 1.00 0.00 H new ATOM 0 HB ILE A 53 2.130 -7.447 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.053 -5.203 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.770 -5.313 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.449 -7.042 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.577 -8.592 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.979 -7.190 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.588 -3.784 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.181 -5.194 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.468 -5.081 0.880 1.00 0.00 H new ATOM 828 N TYR A 54 0.305 -9.763 2.449 1.00 0.00 N ATOM 829 CA TYR A 54 0.451 -11.154 2.627 1.00 0.00 C ATOM 830 C TYR A 54 -0.922 -11.835 2.681 1.00 0.00 C ATOM 831 O TYR A 54 -1.146 -12.861 2.041 1.00 0.00 O ATOM 832 CB TYR A 54 1.252 -11.408 3.901 1.00 0.00 C ATOM 833 CG TYR A 54 2.638 -10.772 3.902 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.567 -11.071 2.913 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.016 -9.871 4.896 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.825 -10.495 2.913 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.268 -9.292 4.900 1.00 0.00 C ATOM 838 CZ TYR A 54 5.169 -9.606 3.910 1.00 0.00 C ATOM 839 OH TYR A 54 6.421 -9.033 3.924 1.00 0.00 O ATOM 0 H TYR A 54 0.187 -9.242 3.318 1.00 0.00 H new ATOM 0 HA TYR A 54 0.990 -11.582 1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.689 -11.028 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.357 -12.484 4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.302 -11.766 2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.315 -9.621 5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.534 -10.740 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.540 -8.594 5.678 1.00 0.00 H new ATOM 0 HH TYR A 54 6.924 -9.326 3.135 1.00 0.00 H new ATOM 849 N TYR A 55 -1.839 -11.229 3.406 1.00 0.00 N ATOM 850 CA TYR A 55 -3.155 -11.775 3.631 1.00 0.00 C ATOM 851 C TYR A 55 -4.220 -10.695 3.420 1.00 0.00 C ATOM 852 O TYR A 55 -4.434 -9.849 4.296 1.00 0.00 O ATOM 853 CB TYR A 55 -3.293 -12.288 5.081 1.00 0.00 C ATOM 854 CG TYR A 55 -2.166 -13.170 5.558 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.046 -14.475 5.121 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.208 -12.680 6.441 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.010 -15.272 5.548 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.167 -13.472 6.871 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.073 -14.768 6.422 1.00 0.00 C ATOM 860 OH TYR A 55 0.976 -15.566 6.840 1.00 0.00 O ATOM 0 H TYR A 55 -1.685 -10.329 3.861 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.294 -12.595 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.369 -11.429 5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.228 -12.842 5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.777 -14.875 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.282 -11.662 6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.931 -16.291 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.570 -13.078 7.556 1.00 0.00 H new ATOM 0 HH TYR A 55 1.548 -15.059 7.454 1.00 0.00 H new ATOM 870 N PRO A 56 -4.840 -10.641 2.243 1.00 0.00 N ATOM 871 CA PRO A 56 -5.993 -9.774 2.015 1.00 0.00 C ATOM 872 C PRO A 56 -7.153 -10.234 2.917 1.00 0.00 C ATOM 873 O PRO A 56 -7.794 -11.245 2.631 1.00 0.00 O ATOM 874 CB PRO A 56 -6.332 -9.985 0.536 1.00 0.00 C ATOM 875 CG PRO A 56 -5.091 -10.563 -0.060 1.00 0.00 C ATOM 876 CD PRO A 56 -4.434 -11.357 1.031 1.00 0.00 C ATOM 0 HA PRO A 56 -5.804 -8.725 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.180 -10.660 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.602 -9.045 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.328 -11.197 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.429 -9.776 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.775 -12.392 1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.350 -11.379 0.918 1.00 0.00 H new ATOM 884 N ARG A 57 -7.358 -9.471 4.001 1.00 0.00 N ATOM 885 CA ARG A 57 -8.260 -9.752 5.156 1.00 0.00 C ATOM 886 C ARG A 57 -9.345 -10.845 5.008 1.00 0.00 C ATOM 887 O ARG A 57 -9.039 -12.031 4.931 1.00 0.00 O ATOM 888 CB ARG A 57 -8.867 -8.478 5.753 1.00 0.00 C ATOM 889 CG ARG A 57 -7.870 -7.445 6.249 1.00 0.00 C ATOM 890 CD ARG A 57 -8.577 -6.425 7.126 1.00 0.00 C ATOM 891 NE ARG A 57 -7.731 -5.286 7.485 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.006 -5.181 8.617 1.00 0.00 C ATOM 893 NH1 ARG A 57 -6.842 -6.240 9.419 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.436 -4.025 8.927 1.00 0.00 N ATOM 0 H ARG A 57 -6.872 -8.581 4.113 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.549 -10.204 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.501 -8.012 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.514 -8.760 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.076 -7.934 6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.399 -6.946 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.463 -6.061 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.921 -6.915 8.037 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.686 -4.509 6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.267 -7.135 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.292 -6.152 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.547 -3.220 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.887 -3.940 9.782 1.00 0.00 H new ATOM 908 N ASP A 58 -10.594 -10.438 5.051 1.00 0.00 N ATOM 909 CA ASP A 58 -11.715 -11.379 5.028 1.00 0.00 C ATOM 910 C ASP A 58 -12.641 -11.134 3.855 1.00 0.00 C ATOM 911 O ASP A 58 -12.731 -11.940 2.924 1.00 0.00 O ATOM 912 CB ASP A 58 -12.496 -11.294 6.350 1.00 0.00 C ATOM 913 CG ASP A 58 -13.662 -12.262 6.434 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.458 -13.432 6.850 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.804 -11.876 6.129 1.00 0.00 O ATOM 0 H ASP A 58 -10.870 -9.457 5.102 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.303 -12.381 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.814 -11.488 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.869 -10.278 6.476 1.00 0.00 H new ATOM 920 N ASP A 59 -13.306 -10.000 3.900 1.00 0.00 N ATOM 921 CA ASP A 59 -14.301 -9.631 2.892 1.00 0.00 C ATOM 922 C ASP A 59 -13.645 -8.784 1.829 1.00 0.00 C ATOM 923 O ASP A 59 -14.166 -8.599 0.728 1.00 0.00 O ATOM 924 CB ASP A 59 -15.458 -8.867 3.551 1.00 0.00 C ATOM 925 CG ASP A 59 -16.578 -8.515 2.594 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.402 -9.395 2.263 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.694 -7.340 2.190 1.00 0.00 O ATOM 0 H ASP A 59 -13.179 -9.302 4.632 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.704 -10.532 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.863 -9.469 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.070 -7.950 3.995 1.00 0.00 H new ATOM 932 N ARG A 60 -12.478 -8.289 2.172 1.00 0.00 N ATOM 933 CA ARG A 60 -11.693 -7.501 1.312 1.00 0.00 C ATOM 934 C ARG A 60 -11.178 -8.352 0.185 1.00 0.00 C ATOM 935 O ARG A 60 -10.734 -9.484 0.399 1.00 0.00 O ATOM 936 CB ARG A 60 -10.555 -6.918 2.105 1.00 0.00 C ATOM 937 CG ARG A 60 -9.577 -6.101 1.327 1.00 0.00 C ATOM 938 CD ARG A 60 -10.240 -4.900 0.661 1.00 0.00 C ATOM 939 NE ARG A 60 -10.919 -4.017 1.616 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.140 -3.507 1.444 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.846 -3.792 0.352 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.642 -2.692 2.361 1.00 0.00 N ATOM 0 H ARG A 60 -12.056 -8.440 3.088 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.285 -6.691 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.970 -6.297 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.017 -7.734 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.784 -5.756 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.108 -6.724 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.485 -4.329 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.962 -5.253 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.422 -3.776 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.454 -4.405 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.778 -3.397 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.096 -2.459 3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.575 -2.298 2.237 1.00 0.00 H new ATOM 956 N GLU A 61 -11.252 -7.801 -0.974 1.00 0.00 N ATOM 957 CA GLU A 61 -10.867 -8.451 -2.199 1.00 0.00 C ATOM 958 C GLU A 61 -9.404 -8.870 -2.166 1.00 0.00 C ATOM 959 O GLU A 61 -8.525 -8.095 -1.735 1.00 0.00 O ATOM 960 CB GLU A 61 -11.097 -7.496 -3.367 1.00 0.00 C ATOM 961 CG GLU A 61 -11.019 -8.151 -4.725 1.00 0.00 C ATOM 962 CD GLU A 61 -11.984 -9.289 -4.847 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.168 -9.054 -5.137 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.586 -10.437 -4.628 1.00 0.00 O ATOM 0 H GLU A 61 -11.594 -6.850 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.474 -9.348 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.077 -7.032 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.358 -6.696 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.228 -7.412 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.005 -8.513 -4.897 1.00 0.00 H new ATOM 971 N ASP A 62 -9.143 -10.071 -2.620 1.00 0.00 N ATOM 972 CA ASP A 62 -7.788 -10.580 -2.702 1.00 0.00 C ATOM 973 C ASP A 62 -7.202 -10.070 -3.994 1.00 0.00 C ATOM 974 O ASP A 62 -7.222 -10.759 -5.022 1.00 0.00 O ATOM 975 CB ASP A 62 -7.763 -12.124 -2.674 1.00 0.00 C ATOM 976 CG ASP A 62 -6.356 -12.747 -2.646 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.511 -12.455 -3.519 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.105 -13.605 -1.770 1.00 0.00 O ATOM 0 H ASP A 62 -9.857 -10.724 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.207 -10.240 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.314 -12.466 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.293 -12.498 -3.550 1.00 0.00 H new ATOM 983 N SER A 63 -6.890 -8.805 -4.009 1.00 0.00 N ATOM 984 CA SER A 63 -6.299 -8.197 -5.150 1.00 0.00 C ATOM 985 C SER A 63 -5.392 -7.062 -4.694 1.00 0.00 C ATOM 986 O SER A 63 -5.630 -6.494 -3.617 1.00 0.00 O ATOM 987 CB SER A 63 -7.421 -7.673 -6.067 1.00 0.00 C ATOM 988 OG SER A 63 -8.281 -8.741 -6.471 1.00 0.00 O ATOM 0 H SER A 63 -7.042 -8.171 -3.224 1.00 0.00 H new ATOM 0 HA SER A 63 -5.698 -8.917 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.999 -6.911 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.987 -7.196 -6.946 1.00 0.00 H new ATOM 0 HG SER A 63 -8.988 -8.390 -7.051 1.00 0.00 H new ATOM 994 N PRO A 64 -4.315 -6.754 -5.461 1.00 0.00 N ATOM 995 CA PRO A 64 -3.460 -5.570 -5.232 1.00 0.00 C ATOM 996 C PRO A 64 -4.327 -4.308 -4.991 1.00 0.00 C ATOM 997 O PRO A 64 -4.067 -3.507 -4.086 1.00 0.00 O ATOM 998 CB PRO A 64 -2.697 -5.475 -6.584 1.00 0.00 C ATOM 999 CG PRO A 64 -2.520 -6.891 -6.978 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.791 -7.592 -6.574 1.00 0.00 C ATOM 0 HA PRO A 64 -2.810 -5.645 -4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.267 -4.919 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.739 -4.967 -6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.349 -6.980 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.656 -7.330 -6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.498 -7.648 -7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.599 -8.615 -6.250 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.386 -4.195 -5.776 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.339 -3.100 -5.698 1.00 0.00 C ATOM 1010 C GLU A 65 -7.081 -3.103 -4.351 1.00 0.00 C ATOM 1011 O GLU A 65 -7.366 -2.044 -3.771 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.321 -3.239 -6.851 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.248 -2.065 -7.038 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.155 -2.228 -8.219 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.668 -2.171 -9.369 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.383 -2.420 -8.032 1.00 0.00 O ATOM 0 H GLU A 65 -5.612 -4.876 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.809 -2.150 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.759 -3.390 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.920 -4.136 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.849 -1.935 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.658 -1.157 -7.161 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.345 -4.291 -3.858 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.053 -4.465 -2.601 1.00 0.00 C ATOM 1025 C GLY A 66 -7.219 -4.036 -1.421 1.00 0.00 C ATOM 1026 O GLY A 66 -7.726 -3.520 -0.429 1.00 0.00 O ATOM 0 H GLY A 66 -7.078 -5.165 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.977 -3.887 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.335 -5.512 -2.485 1.00 0.00 H new ATOM 1030 N ILE A 67 -5.940 -4.233 -1.537 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.005 -3.839 -0.509 1.00 0.00 C ATOM 1032 C ILE A 67 -4.968 -2.309 -0.397 1.00 0.00 C ATOM 1033 O ILE A 67 -5.021 -1.752 0.691 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.625 -4.463 -0.810 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.766 -5.995 -0.686 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.540 -3.911 0.121 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.581 -6.793 -1.155 1.00 0.00 C ATOM 0 H ILE A 67 -5.507 -4.673 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.321 -4.213 0.465 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.308 -4.202 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.958 -6.242 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.642 -6.309 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.583 -4.373 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.464 -2.831 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.800 -4.135 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.784 -7.856 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.397 -6.585 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.703 -6.517 -0.572 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.943 -1.660 -1.534 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.032 -0.204 -1.631 1.00 0.00 C ATOM 1051 C VAL A 68 -6.379 0.300 -1.104 1.00 0.00 C ATOM 1052 O VAL A 68 -6.463 1.388 -0.530 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.814 0.260 -3.076 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.939 1.774 -3.220 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.462 -0.168 -3.512 1.00 0.00 C ATOM 0 H VAL A 68 -4.859 -2.125 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.243 0.221 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.586 -0.191 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.777 2.055 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.936 2.088 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.194 2.262 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.292 0.155 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.711 0.280 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.389 -1.254 -3.456 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.421 -0.497 -1.289 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.724 -0.181 -0.738 1.00 0.00 C ATOM 1067 C LYS A 69 -8.636 -0.097 0.773 1.00 0.00 C ATOM 1068 O LYS A 69 -9.164 0.827 1.380 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.758 -1.200 -1.154 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.128 -0.855 -0.627 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.176 -0.852 -1.711 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.977 0.342 -2.624 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.014 0.446 -3.667 1.00 0.00 N ATOM 0 H LYS A 69 -7.386 -1.368 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.038 0.786 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.792 -1.260 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.465 -2.185 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.409 -1.572 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.096 0.126 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.116 -1.775 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.171 -0.818 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.977 1.254 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.998 0.271 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.827 1.279 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.999 -0.410 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.948 0.542 -3.220 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.923 -1.034 1.362 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.675 -1.023 2.789 1.00 0.00 C ATOM 1089 C GLU A 70 -6.874 0.199 3.180 1.00 0.00 C ATOM 1090 O GLU A 70 -7.120 0.800 4.218 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.948 -2.288 3.224 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.824 -3.507 3.290 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.881 -3.365 4.343 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.572 -3.542 5.532 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.045 -3.071 4.006 1.00 0.00 O ATOM 0 H GLU A 70 -7.501 -1.821 0.869 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.639 -0.988 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.129 -2.480 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.503 -2.120 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.294 -3.672 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.213 -4.385 3.502 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.938 0.583 2.331 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.113 1.738 2.605 1.00 0.00 C ATOM 1104 C ILE A 71 -5.944 3.008 2.562 1.00 0.00 C ATOM 1105 O ILE A 71 -5.872 3.820 3.482 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.935 1.921 1.612 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.117 0.643 1.408 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.034 3.048 2.070 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.522 0.035 2.636 1.00 0.00 C ATOM 0 H ILE A 71 -5.733 0.112 1.450 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.698 1.558 3.597 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.376 2.169 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.757 -0.101 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.310 0.861 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.212 3.166 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.606 3.974 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.635 2.816 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.967 -0.863 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.847 0.751 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.317 -0.227 3.334 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.719 3.201 1.491 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.490 4.374 1.358 1.00 0.00 C ATOM 1123 C LYS A 72 -8.528 4.433 2.441 1.00 0.00 C ATOM 1124 O LYS A 72 -8.484 5.320 3.225 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.109 4.517 -0.057 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.229 3.562 -0.392 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.576 3.531 -1.887 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.225 4.838 -2.328 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.665 4.815 -3.739 1.00 0.00 N ATOM 0 H LYS A 72 -6.808 2.541 0.719 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.826 5.230 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.482 5.535 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.316 4.387 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.950 2.559 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.117 3.842 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.672 3.356 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.251 2.700 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.083 5.045 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.517 5.655 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.036 5.750 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.858 4.578 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.411 4.100 -3.858 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.340 3.388 2.573 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.475 3.400 3.465 1.00 0.00 C ATOM 1145 C GLU A 73 -10.111 3.502 4.930 1.00 0.00 C ATOM 1146 O GLU A 73 -10.807 4.175 5.691 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.402 2.227 3.203 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.136 2.330 1.881 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.006 3.561 1.830 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.064 3.575 2.495 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.644 4.546 1.158 1.00 0.00 O ATOM 0 H GLU A 73 -9.222 2.514 2.061 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.012 4.321 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.823 1.304 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.130 2.160 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.415 2.358 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.750 1.442 1.734 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.020 2.890 5.330 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.634 2.962 6.714 1.00 0.00 C ATOM 1160 C TRP A 74 -8.139 4.369 7.044 1.00 0.00 C ATOM 1161 O TRP A 74 -8.525 4.949 8.059 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.596 1.905 7.030 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.115 1.892 8.437 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.669 1.238 9.498 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.957 2.548 8.927 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.909 1.446 10.617 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.853 2.246 10.289 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.995 3.363 8.332 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.819 2.724 11.070 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.970 3.839 9.094 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.884 3.515 10.455 1.00 0.00 C ATOM 0 H TRP A 74 -8.398 2.349 4.729 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.501 2.759 7.343 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.015 0.926 6.797 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.740 2.051 6.371 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.571 0.645 9.461 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.100 1.066 11.544 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.061 3.613 7.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.750 2.485 12.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.218 4.471 8.645 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.058 3.899 11.035 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.336 4.942 6.161 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.826 6.295 6.365 1.00 0.00 C ATOM 1184 C ARG A 75 -7.954 7.295 6.175 1.00 0.00 C ATOM 1185 O ARG A 75 -8.019 8.324 6.851 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.705 6.595 5.396 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.507 5.685 5.556 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.470 5.988 4.514 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.082 6.044 3.182 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.848 6.990 2.258 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.931 7.942 2.466 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.546 6.995 1.140 1.00 0.00 N ATOM 0 H ARG A 75 -7.023 4.496 5.299 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.434 6.373 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.083 6.508 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.386 7.629 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.079 5.810 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.820 4.644 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.987 6.939 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.693 5.223 4.532 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.739 5.303 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.398 7.956 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.764 8.654 1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.259 6.283 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.373 7.711 0.434 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.852 6.942 5.276 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.037 7.701 4.936 1.00 0.00 C ATOM 1208 C ALA A 76 -10.925 7.882 6.157 1.00 0.00 C ATOM 1209 O ALA A 76 -11.463 8.954 6.388 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.818 6.967 3.824 1.00 0.00 C ATOM 0 H ALA A 76 -8.770 6.079 4.739 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.734 8.686 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.710 7.538 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.186 6.866 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.110 5.978 4.177 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.029 6.832 6.959 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.884 6.830 8.127 1.00 0.00 C ATOM 1218 C ALA A 77 -11.170 7.473 9.284 1.00 0.00 C ATOM 1219 O ALA A 77 -11.775 8.030 10.177 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.280 5.410 8.480 1.00 0.00 C ATOM 0 H ALA A 77 -10.521 5.959 6.814 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.787 7.400 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.923 5.420 9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.817 4.963 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.385 4.825 8.691 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.868 7.411 9.229 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.013 7.918 10.278 1.00 0.00 C ATOM 1228 C ASN A 78 -8.665 9.380 10.100 1.00 0.00 C ATOM 1229 O ASN A 78 -7.862 9.923 10.854 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.741 7.078 10.391 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.886 5.894 11.331 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.634 6.007 12.535 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.274 4.764 10.809 1.00 0.00 N ATOM 0 H ASN A 78 -9.360 7.002 8.445 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.580 7.839 11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.464 6.716 9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.925 7.712 10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.378 3.939 11.399 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.474 4.705 9.811 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.263 10.010 9.102 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.031 11.421 8.841 1.00 0.00 C ATOM 1242 C GLY A 79 -7.588 11.720 8.500 1.00 0.00 C ATOM 1243 O GLY A 79 -7.038 12.745 8.920 1.00 0.00 O ATOM 0 H GLY A 79 -9.915 9.564 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.669 11.744 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.321 12.001 9.717 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.969 10.817 7.772 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.603 10.943 7.377 1.00 0.00 C ATOM 1249 C LYS A 80 -5.481 11.470 5.952 1.00 0.00 C ATOM 1250 O LYS A 80 -6.444 12.007 5.373 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.912 9.594 7.494 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.540 9.201 8.911 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.881 7.838 8.931 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.246 7.525 10.277 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.195 8.513 10.648 1.00 0.00 N ATOM 0 H LYS A 80 -7.417 9.964 7.438 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.121 11.662 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.565 8.828 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.008 9.608 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.864 9.944 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.432 9.189 9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.622 7.075 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.119 7.794 8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.018 7.512 11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.809 6.527 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.643 8.148 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.564 8.670 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.643 9.412 10.917 1.00 0.00 H new ATOM 1269 N SER A 81 -4.304 11.325 5.408 1.00 0.00 N ATOM 1270 CA SER A 81 -3.994 11.734 4.077 1.00 0.00 C ATOM 1271 C SER A 81 -4.663 10.777 3.069 1.00 0.00 C ATOM 1272 O SER A 81 -5.182 9.716 3.451 1.00 0.00 O ATOM 1273 CB SER A 81 -2.475 11.700 3.927 1.00 0.00 C ATOM 1274 OG SER A 81 -2.038 12.260 2.699 1.00 0.00 O ATOM 0 H SER A 81 -3.514 10.906 5.899 1.00 0.00 H new ATOM 0 HA SER A 81 -4.366 12.740 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.019 12.245 4.754 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.129 10.669 3.996 1.00 0.00 H new ATOM 0 HG SER A 81 -1.060 12.217 2.650 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.646 11.150 1.816 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.217 10.335 0.784 1.00 0.00 C ATOM 1282 C GLY A 82 -4.171 9.995 -0.243 1.00 0.00 C ATOM 1283 O GLY A 82 -2.994 9.821 0.106 1.00 0.00 O ATOM 0 H GLY A 82 -4.237 12.024 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.625 9.421 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.046 10.862 0.310 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.583 9.827 -1.466 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.699 9.654 -2.560 1.00 0.00 C ATOM 1289 C PHE A 83 -3.848 10.845 -3.478 1.00 0.00 C ATOM 1290 O PHE A 83 -4.697 11.718 -3.244 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.000 8.364 -3.333 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.768 7.101 -2.545 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.492 6.797 -2.129 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.804 6.209 -2.229 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.233 5.657 -1.422 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.534 5.055 -1.512 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.242 4.784 -1.110 1.00 0.00 C ATOM 0 H PHE A 83 -5.569 9.807 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.679 9.577 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.038 8.386 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.380 8.338 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.682 7.471 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.814 6.423 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.223 5.442 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.332 4.369 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.027 3.886 -0.551 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.034 10.901 -4.485 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.107 11.944 -5.466 1.00 0.00 C ATOM 1309 C LYS A 84 -4.161 11.558 -6.482 1.00 0.00 C ATOM 1310 O LYS A 84 -4.283 10.382 -6.846 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.747 12.084 -6.141 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.609 13.218 -7.140 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.208 13.257 -7.762 1.00 0.00 C ATOM 1314 CE LYS A 84 0.055 12.033 -8.634 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.416 12.005 -9.194 1.00 0.00 N ATOM 0 H LYS A 84 -2.293 10.220 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.371 12.897 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.992 12.216 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.520 11.148 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.354 13.102 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.814 14.167 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.101 14.161 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.540 13.308 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.107 11.132 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.668 12.013 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.456 11.320 -9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.665 12.950 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.090 11.725 -8.454 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.925 12.501 -6.911 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.954 12.246 -7.882 1.00 0.00 C ATOM 1331 C GLN A 85 -5.658 13.024 -9.144 1.00 0.00 C ATOM 1332 O GLN A 85 -5.398 14.232 -9.098 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.391 12.535 -7.339 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.751 14.007 -7.061 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.873 14.676 -6.029 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.810 15.295 -6.482 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.157 14.645 -4.832 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.862 13.472 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.945 11.180 -8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.110 12.140 -8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.523 11.974 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.687 14.567 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.788 14.059 -6.728 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.994 14.152 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.556 15.112 -4.153 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.633 12.325 -10.224 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.355 12.894 -11.498 1.00 0.00 C ATOM 1348 C GLY A 86 -5.981 12.047 -12.554 1.00 0.00 C ATOM 1349 O GLY A 86 -7.123 12.326 -12.954 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.393 11.012 -12.917 1.00 0.00 O ATOM 0 H GLY A 86 -5.809 11.321 -10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.745 13.910 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.278 12.958 -11.655 1.00 0.00 H new