USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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 60 SER OG : rot -143:sc= 1.15 USER MOD Set 1.2: A 62 ASN : amide:sc= -1.16! C(o=-0.011!,f=-4.5!) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.00686 USER MOD Set 2.2: A 40 SER OG : rot 110:sc= 0.00713 USER MOD Set 3.1: A 7 GLN : amide:sc= -0.0243 X(o=-0.024,f=0.11) USER MOD Set 3.2: A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 114:sc= -0.0358 USER MOD Single : A 9 SER OG : rot -21:sc= 0.862 USER MOD Single : A 10 GLN : amide:sc= -0.106 X(o=-0.11,f=0.34) USER MOD Single : A 12 ASN : amide:sc= -0.875 X(o=-0.88,f=-0.53) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= -0.0148 (180deg=-0.223) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -164:sc= 0.583 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -145:sc= -2.18 (180deg=-7.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.952 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0.105 (180deg=-0.0861) USER MOD Single : A 59 MET CE :methyl 166:sc=-0.00857 (180deg=-0.255) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 61:sc= 0.523 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -154:sc= -5.97! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.00255 X(o=-0.0025,f=-0.11) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -2.35! C(o=-4.4!,f=-2.3!) USER MOD Single : A 86 THR OG1 : rot 24:sc= 0.19 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -37:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.338 -11.836 -7.616 1.00 0.00 N ATOM 9 CA PRO A 0 -10.078 -11.294 -6.490 1.00 0.00 C ATOM 10 C PRO A 0 -10.945 -10.110 -6.923 1.00 0.00 C ATOM 11 O PRO A 0 -11.221 -9.939 -8.109 1.00 0.00 O ATOM 12 CB PRO A 0 -9.019 -10.912 -5.469 1.00 0.00 C ATOM 13 CG PRO A 0 -7.711 -10.822 -6.239 1.00 0.00 C ATOM 14 CD PRO A 0 -7.923 -11.476 -7.595 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.756 -11.501 -8.484 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.425 -12.852 -7.616 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.781 -12.011 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -9.259 -9.961 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.955 -11.657 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.410 -9.781 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.912 -11.324 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.676 -10.792 -8.407 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.289 -12.355 -7.714 1.00 0.00 H new ATOM 22 N MET A 1 -11.351 -9.323 -5.937 1.00 0.00 N ATOM 23 CA MET A 1 -12.181 -8.159 -6.202 1.00 0.00 C ATOM 24 C MET A 1 -11.426 -7.127 -7.042 1.00 0.00 C ATOM 25 O MET A 1 -12.019 -6.454 -7.884 1.00 0.00 O ATOM 26 CB MET A 1 -12.608 -7.525 -4.877 1.00 0.00 C ATOM 27 CG MET A 1 -13.764 -8.303 -4.244 1.00 0.00 C ATOM 28 SD MET A 1 -14.536 -7.320 -2.970 1.00 0.00 S ATOM 29 CE MET A 1 -13.580 -7.841 -1.555 1.00 0.00 C ATOM 0 H MET A 1 -11.121 -9.468 -4.954 1.00 0.00 H new ATOM 0 HA MET A 1 -13.059 -8.482 -6.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.761 -7.503 -4.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.910 -6.491 -5.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.497 -8.566 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.396 -9.237 -3.821 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.933 -7.320 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.694 -8.916 -1.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.529 -7.606 -1.720 1.00 0.00 H new ATOM 39 N GLU A 2 -10.130 -7.035 -6.785 1.00 0.00 N ATOM 40 CA GLU A 2 -9.288 -6.096 -7.507 1.00 0.00 C ATOM 41 C GLU A 2 -9.823 -4.672 -7.347 1.00 0.00 C ATOM 42 O GLU A 2 -10.913 -4.357 -7.822 1.00 0.00 O ATOM 43 CB GLU A 2 -9.183 -6.479 -8.985 1.00 0.00 C ATOM 44 CG GLU A 2 -8.694 -7.920 -9.145 1.00 0.00 C ATOM 45 CD GLU A 2 -9.586 -8.697 -10.115 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.816 -8.487 -10.047 1.00 0.00 O ATOM 47 OE2 GLU A 2 -9.018 -9.484 -10.902 1.00 0.00 O ATOM 0 H GLU A 2 -9.642 -7.595 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.285 -6.136 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.156 -6.366 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.498 -5.800 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.667 -7.921 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.688 -8.416 -8.174 1.00 0.00 H new ATOM 54 N PHE A 3 -9.031 -3.849 -6.676 1.00 0.00 N ATOM 55 CA PHE A 3 -9.411 -2.465 -6.446 1.00 0.00 C ATOM 56 C PHE A 3 -8.552 -1.515 -7.283 1.00 0.00 C ATOM 57 O PHE A 3 -7.325 -1.603 -7.264 1.00 0.00 O ATOM 58 CB PHE A 3 -9.174 -2.176 -4.963 1.00 0.00 C ATOM 59 CG PHE A 3 -10.107 -2.942 -4.023 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.849 -4.243 -3.720 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.194 -2.323 -3.490 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.715 -4.954 -2.847 1.00 0.00 C ATOM 63 CE2 PHE A 3 -12.060 -3.034 -2.617 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.802 -4.335 -2.315 1.00 0.00 C ATOM 0 H PHE A 3 -8.127 -4.114 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.453 -2.313 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.142 -2.424 -4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.296 -1.107 -4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.986 -4.735 -4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.399 -1.290 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.510 -5.987 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.923 -2.542 -2.193 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.461 -4.876 -1.652 1.00 0.00 H new ATOM 74 N THR A 4 -9.230 -0.628 -7.996 1.00 0.00 N ATOM 75 CA THR A 4 -8.544 0.338 -8.837 1.00 0.00 C ATOM 76 C THR A 4 -7.967 1.471 -7.986 1.00 0.00 C ATOM 77 O THR A 4 -8.418 1.703 -6.866 1.00 0.00 O ATOM 78 CB THR A 4 -9.530 0.820 -9.903 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.467 1.612 -9.178 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.372 -0.319 -10.481 1.00 0.00 C ATOM 0 H THR A 4 -10.248 -0.558 -8.009 1.00 0.00 H new ATOM 0 HA THR A 4 -7.690 -0.113 -9.343 1.00 0.00 H new ATOM 0 HB THR A 4 -8.982 1.310 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.392 2.548 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.054 0.078 -11.232 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.717 -1.059 -10.941 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.946 -0.789 -9.682 1.00 0.00 H new ATOM 88 N ALA A 5 -6.977 2.147 -8.551 1.00 0.00 N ATOM 89 CA ALA A 5 -6.333 3.250 -7.859 1.00 0.00 C ATOM 90 C ALA A 5 -7.398 4.244 -7.391 1.00 0.00 C ATOM 91 O ALA A 5 -7.251 4.870 -6.343 1.00 0.00 O ATOM 92 CB ALA A 5 -5.297 3.896 -8.781 1.00 0.00 C ATOM 0 H ALA A 5 -6.605 1.952 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.805 2.893 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.814 4.724 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.547 3.156 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.791 4.269 -9.678 1.00 0.00 H new ATOM 98 N GLU A 6 -8.447 4.359 -8.192 1.00 0.00 N ATOM 99 CA GLU A 6 -9.537 5.266 -7.874 1.00 0.00 C ATOM 100 C GLU A 6 -10.351 4.726 -6.696 1.00 0.00 C ATOM 101 O GLU A 6 -10.689 5.470 -5.778 1.00 0.00 O ATOM 102 CB GLU A 6 -10.429 5.502 -9.094 1.00 0.00 C ATOM 103 CG GLU A 6 -10.178 6.886 -9.697 1.00 0.00 C ATOM 104 CD GLU A 6 -10.724 6.969 -11.124 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.115 6.324 -12.004 1.00 0.00 O ATOM 106 OE2 GLU A 6 -11.740 7.676 -11.302 1.00 0.00 O ATOM 0 H GLU A 6 -8.565 3.839 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.111 6.227 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.237 4.734 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.476 5.411 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.651 7.648 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.109 7.097 -9.700 1.00 0.00 H new ATOM 113 N GLN A 7 -10.641 3.434 -6.762 1.00 0.00 N ATOM 114 CA GLN A 7 -11.408 2.786 -5.712 1.00 0.00 C ATOM 115 C GLN A 7 -10.560 2.640 -4.447 1.00 0.00 C ATOM 116 O GLN A 7 -11.042 2.883 -3.342 1.00 0.00 O ATOM 117 CB GLN A 7 -11.935 1.427 -6.179 1.00 0.00 C ATOM 118 CG GLN A 7 -13.415 1.262 -5.824 1.00 0.00 C ATOM 119 CD GLN A 7 -13.743 -0.198 -5.508 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.788 -1.054 -6.377 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.969 -0.435 -4.219 1.00 0.00 N ATOM 0 H GLN A 7 -10.359 2.820 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.269 3.413 -5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.803 1.332 -7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.355 0.629 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.659 1.887 -4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.032 1.606 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.915 0.327 -3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.196 -1.379 -3.906 1.00 0.00 H new ATOM 130 N LEU A 8 -9.313 2.244 -4.652 1.00 0.00 N ATOM 131 CA LEU A 8 -8.393 2.063 -3.541 1.00 0.00 C ATOM 132 C LEU A 8 -8.260 3.381 -2.775 1.00 0.00 C ATOM 133 O LEU A 8 -8.164 3.383 -1.549 1.00 0.00 O ATOM 134 CB LEU A 8 -7.059 1.502 -4.036 1.00 0.00 C ATOM 135 CG LEU A 8 -5.872 1.654 -3.083 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.757 0.444 -2.154 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.577 1.908 -3.856 1.00 0.00 C ATOM 0 H LEU A 8 -8.917 2.043 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.782 1.324 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.192 0.442 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.809 1.991 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.048 2.527 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.905 0.577 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.669 0.350 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.615 -0.459 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.749 2.012 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.382 1.070 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.675 2.823 -4.440 1.00 0.00 H new ATOM 149 N SER A 9 -8.259 4.469 -3.530 1.00 0.00 N ATOM 150 CA SER A 9 -8.139 5.791 -2.937 1.00 0.00 C ATOM 151 C SER A 9 -9.372 6.095 -2.084 1.00 0.00 C ATOM 152 O SER A 9 -9.388 7.072 -1.336 1.00 0.00 O ATOM 153 CB SER A 9 -7.961 6.863 -4.014 1.00 0.00 C ATOM 154 OG SER A 9 -9.127 7.009 -4.820 1.00 0.00 O ATOM 0 H SER A 9 -8.339 4.463 -4.547 1.00 0.00 H new ATOM 0 HA SER A 9 -7.254 5.802 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.726 7.816 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.113 6.603 -4.647 1.00 0.00 H new ATOM 0 HG SER A 9 -9.674 6.198 -4.754 1.00 0.00 H new ATOM 160 N GLN A 10 -10.375 5.241 -2.224 1.00 0.00 N ATOM 161 CA GLN A 10 -11.609 5.406 -1.475 1.00 0.00 C ATOM 162 C GLN A 10 -11.403 4.996 -0.015 1.00 0.00 C ATOM 163 O GLN A 10 -12.177 5.385 0.858 1.00 0.00 O ATOM 164 CB GLN A 10 -12.748 4.610 -2.113 1.00 0.00 C ATOM 165 CG GLN A 10 -12.782 4.819 -3.628 1.00 0.00 C ATOM 166 CD GLN A 10 -13.437 6.156 -3.983 1.00 0.00 C ATOM 167 OE1 GLN A 10 -12.826 7.042 -4.558 1.00 0.00 O ATOM 168 NE2 GLN A 10 -14.710 6.251 -3.609 1.00 0.00 N ATOM 0 H GLN A 10 -10.358 4.432 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.888 6.459 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.624 3.550 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.699 4.918 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.767 4.790 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.332 4.004 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.161 5.471 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.235 7.104 -3.800 1.00 0.00 H new ATOM 177 N TYR A 11 -10.356 4.214 0.204 1.00 0.00 N ATOM 178 CA TYR A 11 -10.038 3.746 1.543 1.00 0.00 C ATOM 179 C TYR A 11 -8.632 4.184 1.958 1.00 0.00 C ATOM 180 O TYR A 11 -7.740 3.352 2.114 1.00 0.00 O ATOM 181 CB TYR A 11 -10.086 2.218 1.478 1.00 0.00 C ATOM 182 CG TYR A 11 -11.329 1.663 0.781 1.00 0.00 C ATOM 183 CD1 TYR A 11 -11.424 1.702 -0.596 1.00 0.00 C ATOM 184 CD2 TYR A 11 -12.356 1.123 1.528 1.00 0.00 C ATOM 185 CE1 TYR A 11 -12.595 1.180 -1.252 1.00 0.00 C ATOM 186 CE2 TYR A 11 -13.527 0.601 0.872 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.588 0.655 -0.485 1.00 0.00 C ATOM 188 OH TYR A 11 -14.694 0.161 -1.105 1.00 0.00 O ATOM 0 H TYR A 11 -9.717 3.893 -0.523 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.740 4.156 2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.199 1.859 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.043 1.820 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.620 2.124 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.282 1.092 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.683 1.205 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.338 0.176 1.445 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.320 -0.183 -0.433 1.00 0.00 H new ATOM 198 N ASN A 12 -8.479 5.489 2.124 1.00 0.00 N ATOM 199 CA ASN A 12 -7.196 6.048 2.517 1.00 0.00 C ATOM 200 C ASN A 12 -7.271 6.508 3.974 1.00 0.00 C ATOM 201 O ASN A 12 -6.393 7.228 4.448 1.00 0.00 O ATOM 202 CB ASN A 12 -6.836 7.260 1.656 1.00 0.00 C ATOM 203 CG ASN A 12 -7.246 8.563 2.345 1.00 0.00 C ATOM 204 OD1 ASN A 12 -6.423 9.380 2.726 1.00 0.00 O ATOM 205 ND2 ASN A 12 -8.560 8.712 2.484 1.00 0.00 N ATOM 0 H ASN A 12 -9.222 6.176 1.994 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.437 5.276 2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.763 7.268 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.333 7.184 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.934 9.549 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.194 7.990 2.143 1.00 0.00 H new ATOM 212 N GLY A 13 -8.328 6.074 4.645 1.00 0.00 N ATOM 213 CA GLY A 13 -8.528 6.432 6.039 1.00 0.00 C ATOM 214 C GLY A 13 -9.193 7.805 6.162 1.00 0.00 C ATOM 215 O GLY A 13 -8.528 8.833 6.044 1.00 0.00 O ATOM 0 H GLY A 13 -9.055 5.478 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.147 5.679 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.569 6.440 6.557 1.00 0.00 H new ATOM 219 N THR A 14 -10.497 7.777 6.397 1.00 0.00 N ATOM 220 CA THR A 14 -11.258 9.006 6.537 1.00 0.00 C ATOM 221 C THR A 14 -12.731 8.693 6.810 1.00 0.00 C ATOM 222 O THR A 14 -13.382 9.386 7.590 1.00 0.00 O ATOM 223 CB THR A 14 -11.039 9.844 5.276 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.897 11.176 5.764 1.00 0.00 O ATOM 225 CG2 THR A 14 -12.284 9.904 4.389 1.00 0.00 C ATOM 0 H THR A 14 -11.045 6.922 6.494 1.00 0.00 H new ATOM 0 HA THR A 14 -10.917 9.587 7.394 1.00 0.00 H new ATOM 0 HB THR A 14 -10.207 9.431 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.749 11.786 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.074 10.511 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.558 8.896 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.108 10.348 4.948 1.00 0.00 H new ATOM 293 N PRO A 19 -12.998 0.566 5.167 1.00 0.00 N ATOM 294 CA PRO A 19 -11.734 0.126 5.730 1.00 0.00 C ATOM 295 C PRO A 19 -10.560 0.867 5.087 1.00 0.00 C ATOM 296 O PRO A 19 -10.749 1.896 4.441 1.00 0.00 O ATOM 297 CB PRO A 19 -11.694 -1.374 5.487 1.00 0.00 C ATOM 298 CG PRO A 19 -12.713 -1.645 4.392 1.00 0.00 C ATOM 299 CD PRO A 19 -13.580 -0.405 4.245 1.00 0.00 C ATOM 0 HA PRO A 19 -11.649 0.345 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.698 -1.694 5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.941 -1.924 6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.211 -1.874 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.325 -2.511 4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.569 -0.034 3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.619 -0.616 4.497 1.00 0.00 H new ATOM 307 N ILE A 20 -9.372 0.315 5.287 1.00 0.00 N ATOM 308 CA ILE A 20 -8.167 0.910 4.735 1.00 0.00 C ATOM 309 C ILE A 20 -7.415 -0.139 3.914 1.00 0.00 C ATOM 310 O ILE A 20 -7.080 -1.208 4.423 1.00 0.00 O ATOM 311 CB ILE A 20 -7.325 1.543 5.845 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.136 2.578 6.626 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.031 2.135 5.282 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.553 2.030 7.993 1.00 0.00 C ATOM 0 H ILE A 20 -9.218 -0.538 5.824 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.421 1.724 4.056 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.042 0.759 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.545 3.484 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.022 2.856 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.451 2.578 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.447 1.347 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.272 2.902 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.128 2.786 8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.164 1.138 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.664 1.776 8.570 1.00 0.00 H new ATOM 326 N TYR A 21 -7.170 0.203 2.658 1.00 0.00 N ATOM 327 CA TYR A 21 -6.464 -0.697 1.761 1.00 0.00 C ATOM 328 C TYR A 21 -5.236 -0.014 1.155 1.00 0.00 C ATOM 329 O TYR A 21 -5.331 1.100 0.642 1.00 0.00 O ATOM 330 CB TYR A 21 -7.449 -1.036 0.641 1.00 0.00 C ATOM 331 CG TYR A 21 -8.683 -1.809 1.111 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.634 -2.544 2.278 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.845 -1.771 0.367 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.796 -3.271 2.720 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.007 -2.499 0.809 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.925 -3.213 1.964 1.00 0.00 C ATOM 337 OH TYR A 21 -12.021 -3.900 2.381 1.00 0.00 O ATOM 0 H TYR A 21 -7.448 1.091 2.240 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.121 -1.582 2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.772 -0.111 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.932 -1.623 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.725 -2.574 2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.883 -1.196 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.771 -3.849 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.922 -2.478 0.236 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.753 -3.766 1.744 1.00 0.00 H new ATOM 347 N VAL A 22 -4.112 -0.710 1.234 1.00 0.00 N ATOM 348 CA VAL A 22 -2.867 -0.185 0.700 1.00 0.00 C ATOM 349 C VAL A 22 -2.484 -0.971 -0.556 1.00 0.00 C ATOM 350 O VAL A 22 -2.861 -2.132 -0.704 1.00 0.00 O ATOM 351 CB VAL A 22 -1.781 -0.213 1.778 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.538 0.553 1.323 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.310 0.337 3.104 1.00 0.00 C ATOM 0 H VAL A 22 -4.037 -1.634 1.660 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.987 0.858 0.407 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.494 -1.252 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.218 0.518 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.142 0.097 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.804 1.591 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.518 0.306 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.638 1.367 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.151 -0.270 3.440 1.00 0.00 H new ATOM 363 N ALA A 23 -1.740 -0.306 -1.427 1.00 0.00 N ATOM 364 CA ALA A 23 -1.302 -0.928 -2.665 1.00 0.00 C ATOM 365 C ALA A 23 0.217 -1.110 -2.630 1.00 0.00 C ATOM 366 O ALA A 23 0.944 -0.210 -2.210 1.00 0.00 O ATOM 367 CB ALA A 23 -1.760 -0.080 -3.853 1.00 0.00 C ATOM 0 H ALA A 23 -1.429 0.657 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.750 -1.915 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.431 -0.547 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.847 -0.006 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.328 0.918 -3.776 1.00 0.00 H new ATOM 373 N ILE A 24 0.652 -2.279 -3.076 1.00 0.00 N ATOM 374 CA ILE A 24 2.071 -2.590 -3.101 1.00 0.00 C ATOM 375 C ILE A 24 2.365 -3.515 -4.284 1.00 0.00 C ATOM 376 O ILE A 24 1.942 -4.670 -4.294 1.00 0.00 O ATOM 377 CB ILE A 24 2.519 -3.155 -1.752 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.434 -2.091 -0.656 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.918 -3.766 -1.851 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.045 -2.600 0.651 1.00 0.00 C ATOM 0 H ILE A 24 0.046 -3.023 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 24 2.657 -1.684 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 24 1.836 -3.958 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.955 -1.189 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.392 -1.816 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.212 -4.160 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.911 -4.574 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.628 -3.000 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.972 -1.824 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.506 -3.487 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.093 -2.851 0.489 1.00 0.00 H new ATOM 392 N LYS A 25 3.089 -2.972 -5.252 1.00 0.00 N ATOM 393 CA LYS A 25 3.445 -3.734 -6.437 1.00 0.00 C ATOM 394 C LYS A 25 2.179 -4.038 -7.242 1.00 0.00 C ATOM 395 O LYS A 25 2.193 -4.892 -8.128 1.00 0.00 O ATOM 396 CB LYS A 25 4.243 -4.981 -6.052 1.00 0.00 C ATOM 397 CG LYS A 25 5.615 -4.602 -5.491 1.00 0.00 C ATOM 398 CD LYS A 25 6.548 -4.119 -6.603 1.00 0.00 C ATOM 399 CE LYS A 25 7.016 -5.288 -7.472 1.00 0.00 C ATOM 400 NZ LYS A 25 7.968 -6.141 -6.725 1.00 0.00 N ATOM 0 H LYS A 25 3.439 -2.014 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 25 4.101 -3.150 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.689 -5.557 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.367 -5.622 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.502 -3.819 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.057 -5.463 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.032 -3.385 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.411 -3.618 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.157 -5.881 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.491 -4.909 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.899 -6.110 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.055 -5.792 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.620 -7.121 -6.712 1.00 0.00 H new ATOM 414 N GLY A 26 1.116 -3.323 -6.905 1.00 0.00 N ATOM 415 CA GLY A 26 -0.155 -3.506 -7.585 1.00 0.00 C ATOM 416 C GLY A 26 -1.066 -4.452 -6.801 1.00 0.00 C ATOM 417 O GLY A 26 -2.061 -4.943 -7.331 1.00 0.00 O ATOM 0 H GLY A 26 1.109 -2.616 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.647 -2.541 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.018 -3.907 -8.584 1.00 0.00 H new ATOM 421 N ARG A 27 -0.692 -4.680 -5.550 1.00 0.00 N ATOM 422 CA ARG A 27 -1.463 -5.559 -4.687 1.00 0.00 C ATOM 423 C ARG A 27 -2.109 -4.758 -3.555 1.00 0.00 C ATOM 424 O ARG A 27 -1.443 -3.964 -2.893 1.00 0.00 O ATOM 425 CB ARG A 27 -0.580 -6.655 -4.088 1.00 0.00 C ATOM 426 CG ARG A 27 -1.396 -7.915 -3.791 1.00 0.00 C ATOM 427 CD ARG A 27 -0.544 -8.963 -3.071 1.00 0.00 C ATOM 428 NE ARG A 27 -0.194 -10.058 -4.004 1.00 0.00 N ATOM 429 CZ ARG A 27 0.428 -11.187 -3.637 1.00 0.00 C ATOM 430 NH1 ARG A 27 0.772 -11.376 -2.357 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.705 -12.126 -4.552 1.00 0.00 N ATOM 0 H ARG A 27 0.134 -4.271 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.238 -6.025 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.228 -6.895 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.117 -6.293 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.258 -7.658 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.781 -8.331 -4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.364 -8.501 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.090 -9.363 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.442 -9.946 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.561 -10.661 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.245 -12.235 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.443 -11.981 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.178 -12.986 -4.274 1.00 0.00 H new ATOM 445 N VAL A 28 -3.399 -4.995 -3.368 1.00 0.00 N ATOM 446 CA VAL A 28 -4.143 -4.305 -2.327 1.00 0.00 C ATOM 447 C VAL A 28 -4.014 -5.081 -1.015 1.00 0.00 C ATOM 448 O VAL A 28 -4.361 -6.259 -0.949 1.00 0.00 O ATOM 449 CB VAL A 28 -5.596 -4.108 -2.765 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.498 -3.828 -1.561 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.708 -2.993 -3.807 1.00 0.00 C ATOM 0 H VAL A 28 -3.948 -5.655 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.731 -3.310 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.935 -5.034 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.525 -3.692 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.453 -4.669 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.160 -2.923 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.751 -2.873 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.342 -2.059 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.111 -3.251 -4.682 1.00 0.00 H new ATOM 461 N PHE A 29 -3.514 -4.389 -0.002 1.00 0.00 N ATOM 462 CA PHE A 29 -3.335 -4.998 1.305 1.00 0.00 C ATOM 463 C PHE A 29 -4.180 -4.285 2.363 1.00 0.00 C ATOM 464 O PHE A 29 -4.361 -3.070 2.303 1.00 0.00 O ATOM 465 CB PHE A 29 -1.856 -4.853 1.668 1.00 0.00 C ATOM 466 CG PHE A 29 -0.932 -5.803 0.903 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.083 -7.148 1.031 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.041 -5.302 0.096 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.225 -8.030 0.321 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.899 -6.183 -0.614 1.00 0.00 C ATOM 471 CZ PHE A 29 0.748 -7.529 -0.486 1.00 0.00 C ATOM 0 H PHE A 29 -3.227 -3.412 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.646 -6.042 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.544 -3.826 1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.736 -5.028 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.855 -7.546 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.161 -4.233 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.346 -9.098 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.671 -5.785 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.401 -8.199 -1.025 1.00 0.00 H new ATOM 481 N ASP A 30 -4.674 -5.072 3.308 1.00 0.00 N ATOM 482 CA ASP A 30 -5.496 -4.531 4.378 1.00 0.00 C ATOM 483 C ASP A 30 -4.599 -4.132 5.551 1.00 0.00 C ATOM 484 O ASP A 30 -3.809 -4.940 6.037 1.00 0.00 O ATOM 485 CB ASP A 30 -6.499 -5.570 4.881 1.00 0.00 C ATOM 486 CG ASP A 30 -6.914 -5.412 6.345 1.00 0.00 C ATOM 487 OD1 ASP A 30 -5.996 -5.307 7.187 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.140 -5.399 6.589 1.00 0.00 O ATOM 0 H ASP A 30 -4.521 -6.079 3.355 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.036 -3.669 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.392 -5.522 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.070 -6.563 4.746 1.00 0.00 H new ATOM 493 N VAL A 31 -4.750 -2.885 5.973 1.00 0.00 N ATOM 494 CA VAL A 31 -3.964 -2.369 7.080 1.00 0.00 C ATOM 495 C VAL A 31 -4.899 -1.739 8.114 1.00 0.00 C ATOM 496 O VAL A 31 -4.442 -1.166 9.103 1.00 0.00 O ATOM 497 CB VAL A 31 -2.904 -1.394 6.561 1.00 0.00 C ATOM 498 CG1 VAL A 31 -1.997 -2.070 5.530 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.554 -0.137 5.979 1.00 0.00 C ATOM 0 H VAL A 31 -5.406 -2.217 5.568 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.428 -3.178 7.576 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.285 -1.091 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.253 -1.356 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.494 -2.921 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.597 -2.415 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.779 0.539 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.208 -0.415 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.139 0.362 6.752 1.00 0.00 H new ATOM 509 N THR A 32 -6.191 -1.866 7.851 1.00 0.00 N ATOM 510 CA THR A 32 -7.195 -1.316 8.747 1.00 0.00 C ATOM 511 C THR A 32 -6.935 -1.773 10.184 1.00 0.00 C ATOM 512 O THR A 32 -7.372 -1.126 11.134 1.00 0.00 O ATOM 513 CB THR A 32 -8.572 -1.722 8.220 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.300 -2.082 9.391 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.528 -3.012 7.398 1.00 0.00 C ATOM 0 H THR A 32 -6.566 -2.342 7.030 1.00 0.00 H new ATOM 0 HA THR A 32 -7.149 -0.227 8.772 1.00 0.00 H new ATOM 0 HB THR A 32 -8.978 -0.916 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.207 -2.357 9.141 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.531 -3.255 7.048 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.868 -2.875 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.153 -3.826 8.018 1.00 0.00 H new ATOM 523 N THR A 33 -6.224 -2.886 10.297 1.00 0.00 N ATOM 524 CA THR A 33 -5.901 -3.437 11.602 1.00 0.00 C ATOM 525 C THR A 33 -5.203 -2.386 12.467 1.00 0.00 C ATOM 526 O THR A 33 -4.989 -2.601 13.660 1.00 0.00 O ATOM 527 CB THR A 33 -5.065 -4.701 11.388 1.00 0.00 C ATOM 528 OG1 THR A 33 -3.825 -4.215 10.883 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.609 -5.578 10.258 1.00 0.00 C ATOM 0 H THR A 33 -5.863 -3.420 9.507 1.00 0.00 H new ATOM 0 HA THR A 33 -6.803 -3.715 12.148 1.00 0.00 H new ATOM 0 HB THR A 33 -5.035 -5.277 12.313 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.221 -4.969 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.980 -6.461 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.628 -5.885 10.494 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.607 -5.013 9.326 1.00 0.00 H new ATOM 537 N GLY A 34 -4.867 -1.273 11.833 1.00 0.00 N ATOM 538 CA GLY A 34 -4.197 -0.188 12.530 1.00 0.00 C ATOM 539 C GLY A 34 -4.531 1.162 11.892 1.00 0.00 C ATOM 540 O GLY A 34 -3.635 1.950 11.594 1.00 0.00 O ATOM 0 H GLY A 34 -5.046 -1.099 10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.498 -0.183 13.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.119 -0.348 12.508 1.00 0.00 H new ATOM 544 N LYS A 35 -5.822 1.387 11.701 1.00 0.00 N ATOM 545 CA LYS A 35 -6.285 2.628 11.104 1.00 0.00 C ATOM 546 C LYS A 35 -5.622 3.810 11.815 1.00 0.00 C ATOM 547 O LYS A 35 -5.494 4.891 11.242 1.00 0.00 O ATOM 548 CB LYS A 35 -7.814 2.687 11.109 1.00 0.00 C ATOM 549 CG LYS A 35 -8.324 3.604 12.223 1.00 0.00 C ATOM 550 CD LYS A 35 -9.848 3.530 12.340 1.00 0.00 C ATOM 551 CE LYS A 35 -10.363 4.498 13.406 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.740 4.137 13.813 1.00 0.00 N ATOM 0 H LYS A 35 -6.562 0.731 11.949 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.990 2.680 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.171 3.048 10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.220 1.684 11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.869 3.318 13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.021 4.631 12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.302 3.767 11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.148 2.513 12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.704 4.477 14.274 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.347 5.517 13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.074 4.804 14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.369 4.180 12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.745 3.173 14.202 1.00 0.00 H new ATOM 566 N SER A 36 -5.218 3.564 13.052 1.00 0.00 N ATOM 567 CA SER A 36 -4.571 4.594 13.847 1.00 0.00 C ATOM 568 C SER A 36 -3.267 5.031 13.176 1.00 0.00 C ATOM 569 O SER A 36 -2.730 6.092 13.488 1.00 0.00 O ATOM 570 CB SER A 36 -4.296 4.101 15.269 1.00 0.00 C ATOM 571 OG SER A 36 -4.757 5.024 16.252 1.00 0.00 O ATOM 0 H SER A 36 -5.326 2.666 13.524 1.00 0.00 H new ATOM 0 HA SER A 36 -5.244 5.449 13.911 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.783 3.138 15.419 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.225 3.940 15.396 1.00 0.00 H new ATOM 0 HG SER A 36 -4.565 4.673 17.146 1.00 0.00 H new ATOM 577 N PHE A 37 -2.797 4.191 12.265 1.00 0.00 N ATOM 578 CA PHE A 37 -1.567 4.478 11.547 1.00 0.00 C ATOM 579 C PHE A 37 -1.856 4.854 10.093 1.00 0.00 C ATOM 580 O PHE A 37 -1.258 5.787 9.558 1.00 0.00 O ATOM 581 CB PHE A 37 -0.726 3.200 11.573 1.00 0.00 C ATOM 582 CG PHE A 37 -0.329 2.745 12.979 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.769 3.276 13.581 1.00 0.00 C ATOM 584 CD2 PHE A 37 -1.073 1.809 13.627 1.00 0.00 C ATOM 585 CE1 PHE A 37 1.137 2.854 14.886 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.705 1.387 14.931 1.00 0.00 C ATOM 587 CZ PHE A 37 0.393 1.918 15.534 1.00 0.00 C ATOM 0 H PHE A 37 -3.246 3.312 12.008 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.050 5.316 12.015 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.285 2.400 11.087 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.178 3.360 10.985 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.361 4.019 13.067 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.944 1.387 13.149 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.008 3.277 15.364 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.297 0.644 15.445 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.673 1.597 16.526 1.00 0.00 H new ATOM 597 N TYR A 38 -2.773 4.109 9.493 1.00 0.00 N ATOM 598 CA TYR A 38 -3.148 4.352 8.111 1.00 0.00 C ATOM 599 C TYR A 38 -4.353 5.291 8.027 1.00 0.00 C ATOM 600 O TYR A 38 -4.422 6.141 7.141 1.00 0.00 O ATOM 601 CB TYR A 38 -3.537 2.990 7.533 1.00 0.00 C ATOM 602 CG TYR A 38 -2.397 2.274 6.806 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.978 2.723 5.570 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.788 1.180 7.385 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.905 2.049 4.885 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.715 0.506 6.701 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.327 0.974 5.485 1.00 0.00 C ATOM 608 OH TYR A 38 0.687 0.337 4.838 1.00 0.00 O ATOM 0 H TYR A 38 -3.267 3.336 9.939 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.326 4.817 7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.896 2.353 8.341 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.368 3.125 6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.455 3.580 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.116 0.829 8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.567 2.389 3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.230 -0.351 7.144 1.00 0.00 H new ATOM 0 HH TYR A 38 0.833 -0.543 5.245 1.00 0.00 H new ATOM 618 N GLY A 39 -5.273 5.106 8.963 1.00 0.00 N ATOM 619 CA GLY A 39 -6.472 5.925 9.006 1.00 0.00 C ATOM 620 C GLY A 39 -6.140 7.396 8.748 1.00 0.00 C ATOM 621 O GLY A 39 -4.971 7.780 8.738 1.00 0.00 O ATOM 0 H GLY A 39 -5.212 4.401 9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.184 5.573 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.952 5.822 9.979 1.00 0.00 H new ATOM 625 N SER A 40 -7.189 8.180 8.547 1.00 0.00 N ATOM 626 CA SER A 40 -7.024 9.601 8.290 1.00 0.00 C ATOM 627 C SER A 40 -5.822 10.137 9.070 1.00 0.00 C ATOM 628 O SER A 40 -5.759 10.000 10.291 1.00 0.00 O ATOM 629 CB SER A 40 -8.288 10.379 8.661 1.00 0.00 C ATOM 630 OG SER A 40 -8.400 11.596 7.929 1.00 0.00 O ATOM 0 H SER A 40 -8.157 7.858 8.557 1.00 0.00 H new ATOM 0 HA SER A 40 -6.847 9.737 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.164 9.759 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.279 10.598 9.729 1.00 0.00 H new ATOM 0 HG SER A 40 -9.136 11.524 7.286 1.00 0.00 H new ATOM 636 N GLY A 41 -4.898 10.737 8.333 1.00 0.00 N ATOM 637 CA GLY A 41 -3.702 11.294 8.941 1.00 0.00 C ATOM 638 C GLY A 41 -3.112 10.332 9.975 1.00 0.00 C ATOM 639 O GLY A 41 -3.437 10.412 11.158 1.00 0.00 O ATOM 0 H GLY A 41 -4.954 10.849 7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.961 11.503 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.941 12.244 9.418 1.00 0.00 H new ATOM 643 N GLY A 42 -2.256 9.445 9.489 1.00 0.00 N ATOM 644 CA GLY A 42 -1.619 8.468 10.356 1.00 0.00 C ATOM 645 C GLY A 42 -0.223 8.108 9.842 1.00 0.00 C ATOM 646 O GLY A 42 0.249 8.682 8.862 1.00 0.00 O ATOM 0 H GLY A 42 -1.989 9.382 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.546 8.867 11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.233 7.569 10.411 1.00 0.00 H new ATOM 650 N ASP A 43 0.399 7.160 10.528 1.00 0.00 N ATOM 651 CA ASP A 43 1.731 6.717 10.153 1.00 0.00 C ATOM 652 C ASP A 43 1.840 6.677 8.628 1.00 0.00 C ATOM 653 O ASP A 43 2.770 7.243 8.054 1.00 0.00 O ATOM 654 CB ASP A 43 2.012 5.310 10.684 1.00 0.00 C ATOM 655 CG ASP A 43 3.339 5.153 11.429 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.566 5.956 12.360 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.097 4.234 11.051 1.00 0.00 O ATOM 0 H ASP A 43 0.005 6.687 11.341 1.00 0.00 H new ATOM 0 HA ASP A 43 2.452 7.415 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.201 5.022 11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.998 4.612 9.847 1.00 0.00 H new ATOM 662 N TYR A 44 0.878 6.004 8.015 1.00 0.00 N ATOM 663 CA TYR A 44 0.855 5.883 6.567 1.00 0.00 C ATOM 664 C TYR A 44 -0.306 6.680 5.969 1.00 0.00 C ATOM 665 O TYR A 44 -1.209 6.107 5.361 1.00 0.00 O ATOM 666 CB TYR A 44 0.644 4.397 6.271 1.00 0.00 C ATOM 667 CG TYR A 44 1.218 3.462 7.337 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.584 3.286 7.438 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.371 2.795 8.199 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.124 2.406 8.442 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.912 1.916 9.203 1.00 0.00 C ATOM 672 CZ TYR A 44 2.261 1.765 9.275 1.00 0.00 C ATOM 673 OH TYR A 44 2.772 0.934 10.223 1.00 0.00 O ATOM 0 H TYR A 44 0.108 5.537 8.494 1.00 0.00 H new ATOM 0 HA TYR A 44 1.779 6.268 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.424 4.205 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.101 4.160 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.247 3.808 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.697 2.932 8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.190 2.258 8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.260 1.388 9.884 1.00 0.00 H new ATOM 0 HH TYR A 44 2.040 0.546 10.746 1.00 0.00 H new ATOM 683 N SER A 45 -0.245 7.989 6.162 1.00 0.00 N ATOM 684 CA SER A 45 -1.280 8.870 5.649 1.00 0.00 C ATOM 685 C SER A 45 -1.151 9.002 4.130 1.00 0.00 C ATOM 686 O SER A 45 -2.139 9.238 3.438 1.00 0.00 O ATOM 687 CB SER A 45 -1.206 10.249 6.309 1.00 0.00 C ATOM 688 OG SER A 45 -0.635 11.226 5.443 1.00 0.00 O ATOM 0 H SER A 45 0.505 8.461 6.667 1.00 0.00 H new ATOM 0 HA SER A 45 -2.250 8.433 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.207 10.565 6.602 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.613 10.183 7.221 1.00 0.00 H new ATOM 0 HG SER A 45 -0.607 12.092 5.900 1.00 0.00 H new ATOM 694 N MET A 46 0.077 8.842 3.657 1.00 0.00 N ATOM 695 CA MET A 46 0.348 8.939 2.233 1.00 0.00 C ATOM 696 C MET A 46 0.088 7.604 1.532 1.00 0.00 C ATOM 697 O MET A 46 -0.297 7.576 0.364 1.00 0.00 O ATOM 698 CB MET A 46 1.805 9.353 2.018 1.00 0.00 C ATOM 699 CG MET A 46 2.748 8.509 2.878 1.00 0.00 C ATOM 700 SD MET A 46 3.206 9.412 4.348 1.00 0.00 S ATOM 701 CE MET A 46 3.613 10.993 3.626 1.00 0.00 C ATOM 0 H MET A 46 0.894 8.646 4.235 1.00 0.00 H new ATOM 0 HA MET A 46 -0.319 9.688 1.806 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.067 9.240 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.927 10.407 2.265 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.263 7.573 3.153 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.640 8.250 2.308 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.440 11.442 4.176 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.902 10.854 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.745 11.650 3.677 1.00 0.00 H new ATOM 711 N PHE A 47 0.308 6.530 2.276 1.00 0.00 N ATOM 712 CA PHE A 47 0.102 5.194 1.741 1.00 0.00 C ATOM 713 C PHE A 47 -1.389 4.863 1.653 1.00 0.00 C ATOM 714 O PHE A 47 -1.817 4.145 0.750 1.00 0.00 O ATOM 715 CB PHE A 47 0.774 4.217 2.707 1.00 0.00 C ATOM 716 CG PHE A 47 2.247 4.527 2.981 1.00 0.00 C ATOM 717 CD1 PHE A 47 2.879 5.504 2.278 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.924 3.825 3.929 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.246 5.792 2.533 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.291 4.112 4.184 1.00 0.00 C ATOM 721 CZ PHE A 47 4.923 5.090 3.480 1.00 0.00 C ATOM 0 H PHE A 47 0.627 6.557 3.245 1.00 0.00 H new ATOM 0 HA PHE A 47 0.521 5.126 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.230 4.224 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.695 3.208 2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.341 6.061 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.422 3.049 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.748 6.569 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.829 3.554 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.963 5.309 3.674 1.00 0.00 H new ATOM 731 N ALA A 48 -2.139 5.401 2.604 1.00 0.00 N ATOM 732 CA ALA A 48 -3.573 5.171 2.645 1.00 0.00 C ATOM 733 C ALA A 48 -4.169 5.441 1.262 1.00 0.00 C ATOM 734 O ALA A 48 -3.908 6.482 0.662 1.00 0.00 O ATOM 735 CB ALA A 48 -4.200 6.049 3.731 1.00 0.00 C ATOM 0 H ALA A 48 -1.781 5.995 3.352 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.788 4.133 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.276 5.877 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.764 5.798 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.007 7.098 3.507 1.00 0.00 H new ATOM 741 N GLY A 49 -4.958 4.484 0.796 1.00 0.00 N ATOM 742 CA GLY A 49 -5.593 4.605 -0.505 1.00 0.00 C ATOM 743 C GLY A 49 -4.582 5.031 -1.571 1.00 0.00 C ATOM 744 O GLY A 49 -4.905 5.819 -2.459 1.00 0.00 O ATOM 0 H GLY A 49 -5.172 3.621 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.042 3.652 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.401 5.335 -0.453 1.00 0.00 H new ATOM 748 N LYS A 50 -3.378 4.491 -1.448 1.00 0.00 N ATOM 749 CA LYS A 50 -2.317 4.805 -2.390 1.00 0.00 C ATOM 750 C LYS A 50 -1.209 3.756 -2.272 1.00 0.00 C ATOM 751 O LYS A 50 -1.031 3.152 -1.216 1.00 0.00 O ATOM 752 CB LYS A 50 -1.829 6.241 -2.188 1.00 0.00 C ATOM 753 CG LYS A 50 -2.803 7.244 -2.809 1.00 0.00 C ATOM 754 CD LYS A 50 -2.075 8.515 -3.249 1.00 0.00 C ATOM 755 CE LYS A 50 -1.795 8.495 -4.753 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.229 9.765 -5.378 1.00 0.00 N ATOM 0 H LYS A 50 -3.114 3.838 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.690 4.761 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.721 6.446 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.843 6.360 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.300 6.790 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.580 7.497 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.678 9.388 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.137 8.609 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.730 8.342 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.318 7.658 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.032 9.735 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.250 9.896 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.711 10.558 -4.949 1.00 0.00 H new ATOM 770 N ASP A 51 -0.494 3.572 -3.372 1.00 0.00 N ATOM 771 CA ASP A 51 0.592 2.607 -3.405 1.00 0.00 C ATOM 772 C ASP A 51 1.876 3.272 -2.905 1.00 0.00 C ATOM 773 O ASP A 51 2.367 4.219 -3.516 1.00 0.00 O ATOM 774 CB ASP A 51 0.842 2.108 -4.830 1.00 0.00 C ATOM 775 CG ASP A 51 1.993 1.110 -4.973 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.675 0.880 -3.951 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.165 0.600 -6.101 1.00 0.00 O ATOM 0 H ASP A 51 -0.645 4.074 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 51 0.314 1.765 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.071 1.642 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.044 2.967 -5.469 1.00 0.00 H new ATOM 782 N ALA A 52 2.382 2.750 -1.797 1.00 0.00 N ATOM 783 CA ALA A 52 3.599 3.281 -1.207 1.00 0.00 C ATOM 784 C ALA A 52 4.700 2.221 -1.279 1.00 0.00 C ATOM 785 O ALA A 52 5.396 1.977 -0.295 1.00 0.00 O ATOM 786 CB ALA A 52 3.316 3.732 0.227 1.00 0.00 C ATOM 0 H ALA A 52 1.971 1.965 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 52 3.945 4.154 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.229 4.130 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.548 4.506 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.969 2.882 0.814 1.00 0.00 H new ATOM 792 N SER A 53 4.823 1.620 -2.454 1.00 0.00 N ATOM 793 CA SER A 53 5.828 0.593 -2.667 1.00 0.00 C ATOM 794 C SER A 53 7.219 1.226 -2.726 1.00 0.00 C ATOM 795 O SER A 53 8.176 0.684 -2.174 1.00 0.00 O ATOM 796 CB SER A 53 5.547 -0.194 -3.948 1.00 0.00 C ATOM 797 OG SER A 53 4.943 0.617 -4.952 1.00 0.00 O ATOM 0 H SER A 53 4.243 1.825 -3.268 1.00 0.00 H new ATOM 0 HA SER A 53 5.789 -0.103 -1.829 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.480 -0.609 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.893 -1.036 -3.720 1.00 0.00 H new ATOM 0 HG SER A 53 4.780 0.078 -5.754 1.00 0.00 H new ATOM 803 N ARG A 54 7.289 2.364 -3.401 1.00 0.00 N ATOM 804 CA ARG A 54 8.547 3.076 -3.539 1.00 0.00 C ATOM 805 C ARG A 54 9.009 3.608 -2.181 1.00 0.00 C ATOM 806 O ARG A 54 10.133 3.346 -1.757 1.00 0.00 O ATOM 807 CB ARG A 54 8.414 4.244 -4.518 1.00 0.00 C ATOM 808 CG ARG A 54 7.354 3.951 -5.582 1.00 0.00 C ATOM 809 CD ARG A 54 7.774 4.506 -6.944 1.00 0.00 C ATOM 810 NE ARG A 54 7.840 5.984 -6.889 1.00 0.00 N ATOM 811 CZ ARG A 54 8.217 6.757 -7.917 1.00 0.00 C ATOM 812 NH1 ARG A 54 8.564 6.198 -9.084 1.00 0.00 N ATOM 813 NH2 ARG A 54 8.247 8.089 -7.776 1.00 0.00 N ATOM 0 H ARG A 54 6.494 2.810 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 54 9.284 2.373 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.147 5.150 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.374 4.431 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.197 2.875 -5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.403 4.392 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.745 4.101 -7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.063 4.194 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 54 7.583 6.442 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.541 5.184 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.851 6.787 -9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.983 8.514 -6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.534 8.678 -8.558 1.00 0.00 H new ATOM 827 N ALA A 55 8.117 4.346 -1.537 1.00 0.00 N ATOM 828 CA ALA A 55 8.418 4.917 -0.235 1.00 0.00 C ATOM 829 C ALA A 55 8.710 3.789 0.757 1.00 0.00 C ATOM 830 O ALA A 55 9.546 3.941 1.646 1.00 0.00 O ATOM 831 CB ALA A 55 7.255 5.803 0.216 1.00 0.00 C ATOM 0 H ALA A 55 7.186 4.562 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 55 9.306 5.547 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.481 6.231 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.108 6.606 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.347 5.204 0.284 1.00 0.00 H new ATOM 837 N LEU A 56 8.005 2.683 0.571 1.00 0.00 N ATOM 838 CA LEU A 56 8.178 1.530 1.438 1.00 0.00 C ATOM 839 C LEU A 56 9.616 1.020 1.320 1.00 0.00 C ATOM 840 O LEU A 56 10.248 0.697 2.324 1.00 0.00 O ATOM 841 CB LEU A 56 7.121 0.467 1.133 1.00 0.00 C ATOM 842 CG LEU A 56 5.786 0.619 1.865 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.667 -0.112 1.121 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.903 0.160 3.320 1.00 0.00 C ATOM 0 H LEU A 56 7.312 2.561 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 56 8.023 1.810 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.927 0.473 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.537 -0.511 1.376 1.00 0.00 H new ATOM 0 HG LEU A 56 5.524 1.677 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.729 0.012 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.565 0.303 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.909 -1.173 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.940 0.279 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.199 -0.889 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.653 0.763 3.832 1.00 0.00 H new ATOM 856 N GLY A 57 10.090 0.964 0.084 1.00 0.00 N ATOM 857 CA GLY A 57 11.441 0.498 -0.179 1.00 0.00 C ATOM 858 C GLY A 57 12.475 1.430 0.457 1.00 0.00 C ATOM 859 O GLY A 57 13.153 1.051 1.411 1.00 0.00 O ATOM 0 H GLY A 57 9.563 1.234 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.565 -0.511 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.608 0.443 -1.255 1.00 0.00 H new ATOM 863 N LYS A 58 12.563 2.630 -0.097 1.00 0.00 N ATOM 864 CA LYS A 58 13.503 3.618 0.404 1.00 0.00 C ATOM 865 C LYS A 58 13.176 3.932 1.865 1.00 0.00 C ATOM 866 O LYS A 58 14.049 4.351 2.624 1.00 0.00 O ATOM 867 CB LYS A 58 13.516 4.852 -0.501 1.00 0.00 C ATOM 868 CG LYS A 58 13.738 4.457 -1.963 1.00 0.00 C ATOM 869 CD LYS A 58 13.071 5.458 -2.908 1.00 0.00 C ATOM 870 CE LYS A 58 11.865 4.830 -3.610 1.00 0.00 C ATOM 871 NZ LYS A 58 12.012 4.927 -5.079 1.00 0.00 N ATOM 0 H LYS A 58 11.999 2.941 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 58 14.519 3.223 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.572 5.388 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.304 5.534 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.807 4.410 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.334 3.460 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.753 6.337 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.792 5.798 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.770 3.785 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.951 5.334 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.357 4.263 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.794 5.896 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.989 4.690 -5.347 1.00 0.00 H new ATOM 885 N MET A 59 11.917 3.716 2.216 1.00 0.00 N ATOM 886 CA MET A 59 11.464 3.970 3.574 1.00 0.00 C ATOM 887 C MET A 59 11.534 5.463 3.904 1.00 0.00 C ATOM 888 O MET A 59 12.095 5.850 4.928 1.00 0.00 O ATOM 889 CB MET A 59 12.337 3.188 4.558 1.00 0.00 C ATOM 890 CG MET A 59 12.381 1.703 4.191 1.00 0.00 C ATOM 891 SD MET A 59 14.041 1.077 4.379 1.00 0.00 S ATOM 892 CE MET A 59 13.774 -0.126 5.671 1.00 0.00 C ATOM 0 H MET A 59 11.196 3.368 1.584 1.00 0.00 H new ATOM 0 HA MET A 59 10.427 3.646 3.658 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.348 3.597 4.557 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.946 3.305 5.569 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.698 1.142 4.828 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.045 1.564 3.163 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.642 -0.782 5.742 1.00 0.00 H new ATOM 0 HE2 MET A 59 13.628 0.387 6.621 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.889 -0.719 5.439 1.00 0.00 H new ATOM 902 N SER A 60 10.954 6.260 3.019 1.00 0.00 N ATOM 903 CA SER A 60 10.943 7.701 3.204 1.00 0.00 C ATOM 904 C SER A 60 9.512 8.187 3.441 1.00 0.00 C ATOM 905 O SER A 60 9.302 9.245 4.032 1.00 0.00 O ATOM 906 CB SER A 60 11.552 8.416 1.996 1.00 0.00 C ATOM 907 OG SER A 60 12.113 9.677 2.350 1.00 0.00 O ATOM 0 H SER A 60 10.488 5.935 2.172 1.00 0.00 H new ATOM 0 HA SER A 60 11.550 7.938 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.324 7.787 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.785 8.561 1.236 1.00 0.00 H new ATOM 0 HG SER A 60 11.949 10.322 1.630 1.00 0.00 H new ATOM 913 N LYS A 61 8.564 7.391 2.968 1.00 0.00 N ATOM 914 CA LYS A 61 7.159 7.726 3.122 1.00 0.00 C ATOM 915 C LYS A 61 6.861 9.018 2.359 1.00 0.00 C ATOM 916 O LYS A 61 5.803 9.619 2.537 1.00 0.00 O ATOM 917 CB LYS A 61 6.781 7.786 4.603 1.00 0.00 C ATOM 918 CG LYS A 61 7.224 6.517 5.334 1.00 0.00 C ATOM 919 CD LYS A 61 8.128 6.854 6.521 1.00 0.00 C ATOM 920 CE LYS A 61 9.293 5.866 6.621 1.00 0.00 C ATOM 921 NZ LYS A 61 10.230 6.276 7.690 1.00 0.00 N ATOM 0 H LYS A 61 8.742 6.514 2.478 1.00 0.00 H new ATOM 0 HA LYS A 61 6.532 6.947 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.245 8.657 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.703 7.909 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.348 5.970 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.754 5.862 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.514 7.867 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.547 6.831 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.912 4.866 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.819 5.817 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.014 5.595 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.607 7.222 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.729 6.300 8.601 1.00 0.00 H new ATOM 935 N ASN A 62 7.814 9.408 1.525 1.00 0.00 N ATOM 936 CA ASN A 62 7.667 10.618 0.734 1.00 0.00 C ATOM 937 C ASN A 62 6.315 10.594 0.019 1.00 0.00 C ATOM 938 O ASN A 62 5.813 9.527 -0.332 1.00 0.00 O ATOM 939 CB ASN A 62 8.763 10.718 -0.330 1.00 0.00 C ATOM 940 CG ASN A 62 9.889 11.646 0.128 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.930 11.218 0.599 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.624 12.939 -0.036 1.00 0.00 N ATOM 0 H ASN A 62 8.691 8.907 1.380 1.00 0.00 H new ATOM 0 HA ASN A 62 7.740 11.472 1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.166 9.726 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.337 11.090 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.313 13.640 0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.732 13.230 -0.437 1.00 0.00 H new ATOM 949 N GLU A 63 5.763 11.783 -0.177 1.00 0.00 N ATOM 950 CA GLU A 63 4.479 11.911 -0.844 1.00 0.00 C ATOM 951 C GLU A 63 4.633 11.660 -2.345 1.00 0.00 C ATOM 952 O GLU A 63 3.677 11.273 -3.015 1.00 0.00 O ATOM 953 CB GLU A 63 3.859 13.284 -0.579 1.00 0.00 C ATOM 954 CG GLU A 63 2.338 13.182 -0.444 1.00 0.00 C ATOM 955 CD GLU A 63 1.641 14.283 -1.246 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.353 14.023 -2.435 1.00 0.00 O ATOM 957 OE2 GLU A 63 1.411 15.358 -0.653 1.00 0.00 O ATOM 0 H GLU A 63 6.182 12.666 0.115 1.00 0.00 H new ATOM 0 HA GLU A 63 3.804 11.158 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.281 13.708 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.111 13.964 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.003 12.205 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.057 13.259 0.606 1.00 0.00 H new ATOM 964 N GLU A 64 5.845 11.889 -2.830 1.00 0.00 N ATOM 965 CA GLU A 64 6.137 11.692 -4.240 1.00 0.00 C ATOM 966 C GLU A 64 6.616 10.260 -4.488 1.00 0.00 C ATOM 967 O GLU A 64 6.551 9.766 -5.613 1.00 0.00 O ATOM 968 CB GLU A 64 7.168 12.709 -4.734 1.00 0.00 C ATOM 969 CG GLU A 64 7.421 13.788 -3.680 1.00 0.00 C ATOM 970 CD GLU A 64 8.613 13.420 -2.793 1.00 0.00 C ATOM 971 OE1 GLU A 64 9.085 12.270 -2.926 1.00 0.00 O ATOM 972 OE2 GLU A 64 9.024 14.296 -2.002 1.00 0.00 O ATOM 0 H GLU A 64 6.636 12.209 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 64 5.219 11.850 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.102 12.200 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.815 13.171 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.609 14.743 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.531 13.916 -3.064 1.00 0.00 H new ATOM 979 N ASP A 65 7.086 9.634 -3.419 1.00 0.00 N ATOM 980 CA ASP A 65 7.575 8.269 -3.506 1.00 0.00 C ATOM 981 C ASP A 65 6.403 7.328 -3.793 1.00 0.00 C ATOM 982 O ASP A 65 6.512 6.432 -4.628 1.00 0.00 O ATOM 983 CB ASP A 65 8.223 7.831 -2.191 1.00 0.00 C ATOM 984 CG ASP A 65 9.737 8.037 -2.116 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.184 9.121 -2.548 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.413 7.106 -1.627 1.00 0.00 O ATOM 0 H ASP A 65 7.138 10.047 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 65 8.316 8.227 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.756 8.379 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.007 6.775 -2.031 1.00 0.00 H new ATOM 991 N VAL A 66 5.309 7.566 -3.084 1.00 0.00 N ATOM 992 CA VAL A 66 4.117 6.751 -3.252 1.00 0.00 C ATOM 993 C VAL A 66 3.744 6.700 -4.734 1.00 0.00 C ATOM 994 O VAL A 66 3.509 7.736 -5.355 1.00 0.00 O ATOM 995 CB VAL A 66 2.989 7.287 -2.369 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.659 6.609 -2.707 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.327 7.121 -0.886 1.00 0.00 C ATOM 0 H VAL A 66 5.223 8.311 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 66 4.305 5.727 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 66 2.883 8.353 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.874 7.008 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.407 6.801 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.747 5.534 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.508 7.510 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.473 6.064 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.240 7.670 -0.657 1.00 0.00 H new ATOM 1007 N SER A 67 3.701 5.484 -5.260 1.00 0.00 N ATOM 1008 CA SER A 67 3.360 5.285 -6.658 1.00 0.00 C ATOM 1009 C SER A 67 2.738 3.901 -6.853 1.00 0.00 C ATOM 1010 O SER A 67 3.249 2.909 -6.336 1.00 0.00 O ATOM 1011 CB SER A 67 4.591 5.445 -7.553 1.00 0.00 C ATOM 1012 OG SER A 67 4.486 4.674 -8.747 1.00 0.00 O ATOM 0 H SER A 67 3.897 4.627 -4.743 1.00 0.00 H new ATOM 0 HA SER A 67 2.634 6.046 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.718 6.497 -7.810 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.482 5.142 -7.003 1.00 0.00 H new ATOM 0 HG SER A 67 3.707 4.973 -9.262 1.00 0.00 H new ATOM 1018 N PRO A 68 1.615 3.878 -7.620 1.00 0.00 N ATOM 1019 CA PRO A 68 0.918 2.632 -7.889 1.00 0.00 C ATOM 1020 C PRO A 68 1.678 1.790 -8.916 1.00 0.00 C ATOM 1021 O PRO A 68 1.181 0.759 -9.368 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.463 3.050 -8.368 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.335 4.504 -8.791 1.00 0.00 C ATOM 1024 CD PRO A 68 0.981 5.034 -8.248 1.00 0.00 C ATOM 0 HA PRO A 68 0.843 1.993 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.792 2.429 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.202 2.938 -7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.361 4.589 -9.877 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.170 5.089 -8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.603 5.442 -9.045 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.818 5.836 -7.528 1.00 0.00 H new ATOM 1032 N SER A 69 2.869 2.260 -9.254 1.00 0.00 N ATOM 1033 CA SER A 69 3.702 1.563 -10.220 1.00 0.00 C ATOM 1034 C SER A 69 5.175 1.906 -9.984 1.00 0.00 C ATOM 1035 O SER A 69 5.703 2.838 -10.587 1.00 0.00 O ATOM 1036 CB SER A 69 3.298 1.916 -11.652 1.00 0.00 C ATOM 1037 OG SER A 69 3.339 0.781 -12.513 1.00 0.00 O ATOM 0 H SER A 69 3.278 3.115 -8.877 1.00 0.00 H new ATOM 0 HA SER A 69 3.559 0.491 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.292 2.335 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.965 2.688 -12.037 1.00 0.00 H new ATOM 0 HG SER A 69 3.073 1.047 -13.418 1.00 0.00 H new ATOM 1043 N LEU A 70 5.796 1.133 -9.105 1.00 0.00 N ATOM 1044 CA LEU A 70 7.197 1.342 -8.783 1.00 0.00 C ATOM 1045 C LEU A 70 7.874 2.093 -9.931 1.00 0.00 C ATOM 1046 O LEU A 70 8.497 3.131 -9.717 1.00 0.00 O ATOM 1047 CB LEU A 70 7.871 0.014 -8.434 1.00 0.00 C ATOM 1048 CG LEU A 70 7.671 -1.123 -9.437 1.00 0.00 C ATOM 1049 CD1 LEU A 70 8.645 -0.998 -10.610 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.775 -2.486 -8.749 1.00 0.00 C ATOM 0 H LEU A 70 5.354 0.361 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 70 7.294 1.965 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.941 0.190 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.500 -0.315 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 70 6.663 -1.044 -9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.481 -1.819 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.480 -0.049 -11.121 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.669 -1.037 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.629 -3.277 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.760 -2.590 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.010 -2.563 -7.977 1.00 0.00 H new ATOM 1062 N GLU A 71 7.727 1.538 -11.126 1.00 0.00 N ATOM 1063 CA GLU A 71 8.317 2.141 -12.309 1.00 0.00 C ATOM 1064 C GLU A 71 9.553 2.959 -11.928 1.00 0.00 C ATOM 1065 O GLU A 71 9.759 4.056 -12.444 1.00 0.00 O ATOM 1066 CB GLU A 71 7.295 3.005 -13.050 1.00 0.00 C ATOM 1067 CG GLU A 71 6.190 2.143 -13.665 1.00 0.00 C ATOM 1068 CD GLU A 71 6.732 1.302 -14.823 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.315 0.237 -14.526 1.00 0.00 O ATOM 1070 OE2 GLU A 71 6.550 1.744 -15.978 1.00 0.00 O ATOM 0 H GLU A 71 7.208 0.677 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 71 8.628 1.343 -12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.857 3.727 -12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.795 3.575 -13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.767 1.489 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.382 2.781 -14.021 1.00 0.00 H new ATOM 1077 N GLY A 72 10.342 2.393 -11.026 1.00 0.00 N ATOM 1078 CA GLY A 72 11.552 3.056 -10.570 1.00 0.00 C ATOM 1079 C GLY A 72 11.990 2.520 -9.206 1.00 0.00 C ATOM 1080 O GLY A 72 12.442 3.281 -8.352 1.00 0.00 O ATOM 0 H GLY A 72 10.167 1.483 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.350 2.905 -11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.380 4.130 -10.504 1.00 0.00 H new ATOM 1084 N LEU A 73 11.840 1.214 -9.043 1.00 0.00 N ATOM 1085 CA LEU A 73 12.215 0.567 -7.797 1.00 0.00 C ATOM 1086 C LEU A 73 13.653 0.057 -7.905 1.00 0.00 C ATOM 1087 O LEU A 73 13.919 -0.920 -8.603 1.00 0.00 O ATOM 1088 CB LEU A 73 11.202 -0.521 -7.433 1.00 0.00 C ATOM 1089 CG LEU A 73 10.187 -0.156 -6.348 1.00 0.00 C ATOM 1090 CD1 LEU A 73 10.607 -0.725 -4.991 1.00 0.00 C ATOM 1091 CD2 LEU A 73 9.966 1.357 -6.291 1.00 0.00 C ATOM 0 H LEU A 73 11.464 0.586 -9.753 1.00 0.00 H new ATOM 0 HA LEU A 73 12.191 1.281 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.656 -0.798 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.750 -1.405 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 73 9.231 -0.612 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.869 -0.451 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.673 -1.811 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.579 -0.319 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.240 1.590 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.910 1.854 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.590 1.706 -7.253 1.00 0.00 H new ATOM 1103 N THR A 74 14.544 0.741 -7.202 1.00 0.00 N ATOM 1104 CA THR A 74 15.949 0.369 -7.209 1.00 0.00 C ATOM 1105 C THR A 74 16.170 -0.894 -6.375 1.00 0.00 C ATOM 1106 O THR A 74 15.213 -1.514 -5.914 1.00 0.00 O ATOM 1107 CB THR A 74 16.758 1.571 -6.719 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.471 1.638 -5.325 1.00 0.00 O ATOM 1109 CG2 THR A 74 16.232 2.897 -7.272 1.00 0.00 C ATOM 0 H THR A 74 14.320 1.551 -6.624 1.00 0.00 H new ATOM 0 HA THR A 74 16.288 0.119 -8.214 1.00 0.00 H new ATOM 0 HB THR A 74 17.802 1.447 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.586 2.559 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.842 3.717 -6.893 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.281 2.882 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 74 15.198 3.038 -6.957 1.00 0.00 H new ATOM 1117 N GLU A 75 17.439 -1.238 -6.206 1.00 0.00 N ATOM 1118 CA GLU A 75 17.799 -2.416 -5.435 1.00 0.00 C ATOM 1119 C GLU A 75 17.484 -2.197 -3.954 1.00 0.00 C ATOM 1120 O GLU A 75 16.953 -3.087 -3.291 1.00 0.00 O ATOM 1121 CB GLU A 75 19.273 -2.773 -5.636 1.00 0.00 C ATOM 1122 CG GLU A 75 19.419 -4.072 -6.431 1.00 0.00 C ATOM 1123 CD GLU A 75 20.507 -4.963 -5.829 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.540 -4.395 -5.413 1.00 0.00 O ATOM 1125 OE2 GLU A 75 20.282 -6.192 -5.798 1.00 0.00 O ATOM 0 H GLU A 75 18.230 -0.721 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 75 17.204 -3.257 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.779 -1.963 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.761 -2.879 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.469 -4.607 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.664 -3.842 -7.468 1.00 0.00 H new ATOM 1132 N LYS A 76 17.824 -1.008 -3.478 1.00 0.00 N ATOM 1133 CA LYS A 76 17.584 -0.662 -2.088 1.00 0.00 C ATOM 1134 C LYS A 76 16.114 -0.917 -1.749 1.00 0.00 C ATOM 1135 O LYS A 76 15.808 -1.597 -0.771 1.00 0.00 O ATOM 1136 CB LYS A 76 18.040 0.771 -1.807 1.00 0.00 C ATOM 1137 CG LYS A 76 16.914 1.769 -2.084 1.00 0.00 C ATOM 1138 CD LYS A 76 17.301 3.176 -1.622 1.00 0.00 C ATOM 1139 CE LYS A 76 17.810 4.017 -2.794 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.928 4.885 -2.363 1.00 0.00 N ATOM 0 H LYS A 76 18.264 -0.272 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 76 18.177 -1.296 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.360 0.858 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.903 1.010 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.689 1.782 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.007 1.451 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.439 3.663 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.072 3.111 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.140 3.364 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.999 4.628 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.261 5.449 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.602 5.521 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.708 4.296 -2.007 1.00 0.00 H new ATOM 1154 N GLU A 77 15.244 -0.359 -2.577 1.00 0.00 N ATOM 1155 CA GLU A 77 13.813 -0.518 -2.378 1.00 0.00 C ATOM 1156 C GLU A 77 13.370 -1.918 -2.807 1.00 0.00 C ATOM 1157 O GLU A 77 12.518 -2.528 -2.162 1.00 0.00 O ATOM 1158 CB GLU A 77 13.031 0.560 -3.132 1.00 0.00 C ATOM 1159 CG GLU A 77 13.660 0.838 -4.499 1.00 0.00 C ATOM 1160 CD GLU A 77 14.241 2.252 -4.557 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.797 2.680 -3.523 1.00 0.00 O ATOM 1162 OE2 GLU A 77 14.116 2.873 -5.635 1.00 0.00 O ATOM 0 H GLU A 77 15.502 0.204 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 77 13.598 -0.400 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.997 0.241 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.010 1.478 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.446 0.109 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.910 0.717 -5.280 1.00 0.00 H new ATOM 1169 N ILE A 78 13.967 -2.387 -3.893 1.00 0.00 N ATOM 1170 CA ILE A 78 13.645 -3.703 -4.415 1.00 0.00 C ATOM 1171 C ILE A 78 13.779 -4.738 -3.297 1.00 0.00 C ATOM 1172 O ILE A 78 13.071 -5.744 -3.288 1.00 0.00 O ATOM 1173 CB ILE A 78 14.497 -4.015 -5.647 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.864 -3.435 -6.913 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.753 -5.518 -5.771 1.00 0.00 C ATOM 1176 CD1 ILE A 78 13.241 -4.539 -7.770 1.00 0.00 C ATOM 0 H ILE A 78 14.672 -1.878 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 78 12.610 -3.734 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 78 15.467 -3.533 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.100 -2.706 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.620 -2.904 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.361 -5.712 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.279 -5.872 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.802 -6.043 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.798 -4.100 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.012 -5.253 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.469 -5.052 -7.197 1.00 0.00 H new ATOM 1188 N ASN A 79 14.693 -4.457 -2.380 1.00 0.00 N ATOM 1189 CA ASN A 79 14.930 -5.351 -1.259 1.00 0.00 C ATOM 1190 C ASN A 79 13.893 -5.078 -0.168 1.00 0.00 C ATOM 1191 O ASN A 79 13.229 -5.999 0.307 1.00 0.00 O ATOM 1192 CB ASN A 79 16.319 -5.126 -0.659 1.00 0.00 C ATOM 1193 CG ASN A 79 17.372 -5.967 -1.383 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.263 -7.176 -1.503 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.395 -5.262 -1.857 1.00 0.00 N ATOM 0 H ASN A 79 15.279 -3.622 -2.390 1.00 0.00 H new ATOM 0 HA ASN A 79 14.857 -6.376 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.582 -4.070 -0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.308 -5.384 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.150 -5.732 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.424 -4.251 -1.722 1.00 0.00 H new ATOM 1202 N THR A 80 13.786 -3.810 0.199 1.00 0.00 N ATOM 1203 CA THR A 80 12.841 -3.404 1.226 1.00 0.00 C ATOM 1204 C THR A 80 11.407 -3.528 0.709 1.00 0.00 C ATOM 1205 O THR A 80 10.542 -4.075 1.392 1.00 0.00 O ATOM 1206 CB THR A 80 13.207 -1.987 1.672 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.461 -2.143 2.330 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.276 -1.459 2.766 1.00 0.00 C ATOM 0 H THR A 80 14.338 -3.049 -0.197 1.00 0.00 H new ATOM 0 HA THR A 80 12.897 -4.058 2.096 1.00 0.00 H new ATOM 0 HB THR A 80 13.175 -1.317 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.773 -1.271 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.579 -0.450 3.046 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.252 -1.440 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.333 -2.111 3.638 1.00 0.00 H new ATOM 1216 N LEU A 81 11.198 -3.010 -0.492 1.00 0.00 N ATOM 1217 CA LEU A 81 9.883 -3.055 -1.109 1.00 0.00 C ATOM 1218 C LEU A 81 9.418 -4.510 -1.202 1.00 0.00 C ATOM 1219 O LEU A 81 8.336 -4.851 -0.727 1.00 0.00 O ATOM 1220 CB LEU A 81 9.896 -2.326 -2.454 1.00 0.00 C ATOM 1221 CG LEU A 81 8.621 -2.440 -3.291 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.627 -3.721 -4.127 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.375 -2.336 -2.409 1.00 0.00 C ATOM 0 H LEU A 81 11.918 -2.557 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 81 9.155 -2.526 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.093 -1.270 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.729 -2.708 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 81 8.593 -1.602 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.709 -3.778 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.486 -3.714 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.690 -4.586 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.482 -2.420 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.382 -3.140 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.371 -1.374 -1.896 1.00 0.00 H new ATOM 1235 N ASN A 82 10.258 -5.327 -1.819 1.00 0.00 N ATOM 1236 CA ASN A 82 9.947 -6.737 -1.981 1.00 0.00 C ATOM 1237 C ASN A 82 9.538 -7.324 -0.628 1.00 0.00 C ATOM 1238 O ASN A 82 8.429 -7.833 -0.478 1.00 0.00 O ATOM 1239 CB ASN A 82 11.164 -7.516 -2.486 1.00 0.00 C ATOM 1240 CG ASN A 82 11.238 -7.487 -4.014 1.00 0.00 C ATOM 1241 OD1 ASN A 82 11.002 -6.290 -4.544 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 11.493 -8.485 -4.668 1.00 0.00 N flip ATOM 0 H ASN A 82 11.154 -5.040 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 82 9.138 -6.822 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.074 -7.088 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.108 -8.548 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.664 -9.373 -4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.535 -8.431 -5.686 1.00 0.00 H new ATOM 1249 N ASP A 83 10.457 -7.233 0.322 1.00 0.00 N ATOM 1250 CA ASP A 83 10.207 -7.748 1.657 1.00 0.00 C ATOM 1251 C ASP A 83 8.971 -7.060 2.241 1.00 0.00 C ATOM 1252 O ASP A 83 8.218 -7.668 3.000 1.00 0.00 O ATOM 1253 CB ASP A 83 11.389 -7.466 2.587 1.00 0.00 C ATOM 1254 CG ASP A 83 11.984 -8.700 3.269 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.198 -9.425 3.916 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.211 -8.890 3.127 1.00 0.00 O ATOM 0 H ASP A 83 11.376 -6.810 0.193 1.00 0.00 H new ATOM 0 HA ASP A 83 10.058 -8.825 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.174 -6.973 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.067 -6.764 3.356 1.00 0.00 H new ATOM 1261 N TRP A 84 8.801 -5.801 1.865 1.00 0.00 N ATOM 1262 CA TRP A 84 7.670 -5.024 2.342 1.00 0.00 C ATOM 1263 C TRP A 84 6.389 -5.739 1.908 1.00 0.00 C ATOM 1264 O TRP A 84 5.485 -5.945 2.716 1.00 0.00 O ATOM 1265 CB TRP A 84 7.747 -3.580 1.843 1.00 0.00 C ATOM 1266 CG TRP A 84 8.185 -2.575 2.910 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.062 -1.569 2.786 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.728 -2.518 4.277 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.203 -0.872 3.968 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.366 -1.467 4.904 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.805 -3.329 4.962 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.150 -1.130 6.246 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.601 -2.979 6.302 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.235 -1.924 6.948 1.00 0.00 C ATOM 0 H TRP A 84 9.428 -5.300 1.235 1.00 0.00 H new ATOM 0 HA TRP A 84 7.680 -4.956 3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.444 -3.532 1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.769 -3.286 1.461 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.592 -1.334 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 84 9.810 -0.068 4.126 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.294 -4.156 4.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 8.662 -0.302 6.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.902 -3.570 6.874 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.023 -1.718 7.987 1.00 0.00 H new ATOM 1285 N GLU A 85 6.352 -6.097 0.633 1.00 0.00 N ATOM 1286 CA GLU A 85 5.196 -6.784 0.082 1.00 0.00 C ATOM 1287 C GLU A 85 4.998 -8.132 0.779 1.00 0.00 C ATOM 1288 O GLU A 85 3.887 -8.466 1.187 1.00 0.00 O ATOM 1289 CB GLU A 85 5.335 -6.965 -1.430 1.00 0.00 C ATOM 1290 CG GLU A 85 4.676 -8.267 -1.890 1.00 0.00 C ATOM 1291 CD GLU A 85 5.616 -9.458 -1.689 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.839 -9.210 -1.618 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.090 -10.589 -1.611 1.00 0.00 O ATOM 0 H GLU A 85 7.104 -5.924 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 85 4.313 -6.170 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.877 -6.120 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.390 -6.971 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.754 -8.429 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.403 -8.188 -2.942 1.00 0.00 H new ATOM 1300 N THR A 86 6.093 -8.869 0.895 1.00 0.00 N ATOM 1301 CA THR A 86 6.054 -10.173 1.535 1.00 0.00 C ATOM 1302 C THR A 86 5.652 -10.033 3.005 1.00 0.00 C ATOM 1303 O THR A 86 4.955 -10.890 3.546 1.00 0.00 O ATOM 1304 CB THR A 86 7.417 -10.838 1.338 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.209 -11.745 0.259 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.804 -11.739 2.513 1.00 0.00 C ATOM 0 H THR A 86 7.013 -8.588 0.556 1.00 0.00 H new ATOM 0 HA THR A 86 5.297 -10.813 1.083 1.00 0.00 H new ATOM 0 HB THR A 86 8.179 -10.070 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.453 -11.439 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.780 -12.186 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.849 -11.146 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.060 -12.527 2.628 1.00 0.00 H new ATOM 1314 N LYS A 87 6.109 -8.946 3.609 1.00 0.00 N ATOM 1315 CA LYS A 87 5.807 -8.682 5.006 1.00 0.00 C ATOM 1316 C LYS A 87 4.344 -8.252 5.134 1.00 0.00 C ATOM 1317 O LYS A 87 3.637 -8.703 6.033 1.00 0.00 O ATOM 1318 CB LYS A 87 6.798 -7.673 5.587 1.00 0.00 C ATOM 1319 CG LYS A 87 8.215 -8.249 5.615 1.00 0.00 C ATOM 1320 CD LYS A 87 9.262 -7.133 5.591 1.00 0.00 C ATOM 1321 CE LYS A 87 10.644 -7.669 5.971 1.00 0.00 C ATOM 1322 NZ LYS A 87 11.048 -7.164 7.302 1.00 0.00 N ATOM 0 H LYS A 87 6.686 -8.237 3.156 1.00 0.00 H new ATOM 0 HA LYS A 87 5.926 -9.588 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.784 -6.760 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.493 -7.399 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.347 -8.857 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.361 -8.907 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.301 -6.688 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.972 -6.342 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.628 -8.759 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.376 -7.366 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.988 -7.537 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.083 -6.125 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.358 -7.475 8.015 1.00 0.00 H new ATOM 1336 N PHE A 88 3.934 -7.384 4.220 1.00 0.00 N ATOM 1337 CA PHE A 88 2.569 -6.887 4.220 1.00 0.00 C ATOM 1338 C PHE A 88 1.586 -7.984 3.805 1.00 0.00 C ATOM 1339 O PHE A 88 0.529 -8.139 4.414 1.00 0.00 O ATOM 1340 CB PHE A 88 2.506 -5.750 3.198 1.00 0.00 C ATOM 1341 CG PHE A 88 2.530 -4.352 3.820 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.316 -4.102 4.901 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.764 -3.360 3.292 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.337 -2.805 5.479 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.785 -2.063 3.870 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.572 -1.813 4.951 1.00 0.00 C ATOM 0 H PHE A 88 4.523 -7.013 3.475 1.00 0.00 H new ATOM 0 HA PHE A 88 2.296 -6.551 5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.347 -5.845 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.597 -5.857 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.924 -4.890 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.140 -3.559 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.961 -2.607 6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.176 -1.275 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.589 -0.826 5.390 1.00 0.00 H new ATOM 1356 N GLU A 89 1.971 -8.718 2.771 1.00 0.00 N ATOM 1357 CA GLU A 89 1.137 -9.796 2.267 1.00 0.00 C ATOM 1358 C GLU A 89 1.150 -10.976 3.240 1.00 0.00 C ATOM 1359 O GLU A 89 0.270 -11.834 3.194 1.00 0.00 O ATOM 1360 CB GLU A 89 1.588 -10.231 0.871 1.00 0.00 C ATOM 1361 CG GLU A 89 2.653 -11.326 0.956 1.00 0.00 C ATOM 1362 CD GLU A 89 2.057 -12.697 0.629 1.00 0.00 C ATOM 1363 OE1 GLU A 89 1.577 -12.850 -0.515 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.094 -13.562 1.531 1.00 0.00 O ATOM 0 H GLU A 89 2.849 -8.587 2.269 1.00 0.00 H new ATOM 0 HA GLU A 89 0.114 -9.430 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.731 -10.596 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.986 -9.373 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.464 -11.104 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.084 -11.342 1.957 1.00 0.00 H new ATOM 1371 N ALA A 90 2.159 -10.982 4.099 1.00 0.00 N ATOM 1372 CA ALA A 90 2.299 -12.043 5.082 1.00 0.00 C ATOM 1373 C ALA A 90 1.632 -11.612 6.390 1.00 0.00 C ATOM 1374 O ALA A 90 1.366 -12.442 7.258 1.00 0.00 O ATOM 1375 CB ALA A 90 3.780 -12.378 5.266 1.00 0.00 C ATOM 0 H ALA A 90 2.887 -10.269 4.135 1.00 0.00 H new ATOM 0 HA ALA A 90 1.800 -12.950 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.884 -13.174 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.199 -12.707 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.313 -11.492 5.611 1.00 0.00 H new ATOM 1381 N LYS A 91 1.380 -10.315 6.489 1.00 0.00 N ATOM 1382 CA LYS A 91 0.750 -9.764 7.676 1.00 0.00 C ATOM 1383 C LYS A 91 -0.649 -9.258 7.317 1.00 0.00 C ATOM 1384 O LYS A 91 -1.649 -9.828 7.752 1.00 0.00 O ATOM 1385 CB LYS A 91 1.644 -8.697 8.312 1.00 0.00 C ATOM 1386 CG LYS A 91 2.649 -9.329 9.278 1.00 0.00 C ATOM 1387 CD LYS A 91 2.517 -8.727 10.678 1.00 0.00 C ATOM 1388 CE LYS A 91 1.881 -9.727 11.647 1.00 0.00 C ATOM 1389 NZ LYS A 91 0.872 -9.056 12.496 1.00 0.00 N ATOM 0 H LYS A 91 1.601 -9.630 5.766 1.00 0.00 H new ATOM 0 HA LYS A 91 0.626 -10.537 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.177 -8.152 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.029 -7.972 8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.486 -10.406 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.662 -9.175 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.500 -8.434 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.911 -7.822 10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.413 -10.537 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.652 -10.176 12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.450 -9.749 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.328 -8.298 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.128 -8.649 11.895 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.675 -8.195 6.528 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.935 -7.607 6.105 1.00 0.00 C ATOM 1405 C TYR A 92 -2.670 -8.528 5.130 1.00 0.00 C ATOM 1406 O TYR A 92 -2.054 -9.122 4.247 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.572 -6.306 5.385 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.134 -5.178 6.321 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.798 -4.974 7.514 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.074 -4.365 5.973 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.385 -3.912 8.395 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.338 -3.304 6.854 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.338 -3.129 8.021 1.00 0.00 C ATOM 1414 OH TYR A 92 0.052 -2.127 8.853 1.00 0.00 O ATOM 0 H TYR A 92 0.156 -7.725 6.170 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.589 -7.443 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.770 -6.507 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.433 -5.971 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.627 -5.610 7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.446 -4.525 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.895 -3.741 9.331 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.166 -2.661 6.594 1.00 0.00 H new ATOM 0 HH TYR A 92 0.812 -1.651 8.458 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.013 -8.619 5.327 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.839 -9.458 4.476 1.00 0.00 C ATOM 1426 C PRO A 93 -5.050 -8.809 3.106 1.00 0.00 C ATOM 1427 O PRO A 93 -5.263 -7.602 3.013 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.134 -9.649 5.248 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.168 -8.538 6.285 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.777 -7.930 6.363 1.00 0.00 C ATOM 0 HA PRO A 93 -4.376 -10.420 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.997 -9.591 4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.164 -10.629 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.901 -7.780 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.468 -8.932 7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.804 -6.855 6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.334 -8.080 7.348 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.982 -9.641 2.076 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.163 -9.163 0.716 1.00 0.00 C ATOM 1440 C VAL A 94 -6.640 -9.272 0.334 1.00 0.00 C ATOM 1441 O VAL A 94 -7.159 -10.373 0.154 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.241 -9.930 -0.235 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.307 -9.350 -1.649 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.803 -9.943 0.287 1.00 0.00 C ATOM 0 H VAL A 94 -4.804 -10.642 2.156 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.885 -8.112 0.640 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.589 -10.962 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.643 -9.913 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.329 -9.418 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.997 -8.305 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.169 -10.494 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.439 -8.919 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.775 -10.425 1.264 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.276 -8.115 0.222 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.684 -8.067 -0.136 1.00 0.00 C ATOM 1456 C VAL A 95 -8.818 -8.021 -1.659 1.00 0.00 C ATOM 1457 O VAL A 95 -9.925 -8.085 -2.191 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.360 -6.883 0.559 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.189 -6.968 2.077 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.826 -5.554 0.021 1.00 0.00 C ATOM 0 H VAL A 95 -6.843 -7.204 0.373 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.196 -8.966 0.208 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.427 -6.930 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.679 -6.115 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.639 -7.891 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.128 -6.959 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.323 -4.729 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.752 -5.496 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.022 -5.489 -1.049 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.674 -7.912 -2.319 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.649 -7.857 -3.770 1.00 0.00 C ATOM 1472 C GLY A 96 -6.301 -7.340 -4.277 1.00 0.00 C ATOM 1473 O GLY A 96 -5.381 -7.120 -3.491 1.00 0.00 O ATOM 0 H GLY A 96 -6.757 -7.860 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.838 -8.850 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.449 -7.208 -4.127 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.227 -7.160 -5.588 1.00 0.00 N ATOM 1478 CA ARG A 97 -5.007 -6.673 -6.208 1.00 0.00 C ATOM 1479 C ARG A 97 -5.303 -5.439 -7.064 1.00 0.00 C ATOM 1480 O ARG A 97 -6.283 -5.416 -7.808 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.366 -7.751 -7.084 1.00 0.00 C ATOM 1482 CG ARG A 97 -5.122 -7.905 -8.406 1.00 0.00 C ATOM 1483 CD ARG A 97 -4.394 -7.182 -9.541 1.00 0.00 C ATOM 1484 NE ARG A 97 -4.954 -7.597 -10.846 1.00 0.00 N ATOM 1485 CZ ARG A 97 -4.406 -7.293 -12.031 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -3.279 -6.569 -12.081 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -4.984 -7.712 -13.164 1.00 0.00 N ATOM 0 H ARG A 97 -6.992 -7.343 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.312 -6.409 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.326 -7.492 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.361 -8.702 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.224 -8.962 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.130 -7.503 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.494 -6.103 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.329 -7.410 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.811 -8.149 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.839 -6.250 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.861 -6.337 -12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.842 -8.263 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.567 -7.480 -14.065 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.439 -4.444 -6.930 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.595 -3.211 -7.682 1.00 0.00 C ATOM 1503 C VAL A 98 -4.596 -3.527 -9.179 1.00 0.00 C ATOM 1504 O VAL A 98 -3.664 -4.149 -9.686 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.506 -2.213 -7.283 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.481 -1.018 -8.237 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.687 -1.754 -5.835 1.00 0.00 C ATOM 0 H VAL A 98 -3.628 -4.467 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.550 -2.741 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.544 -2.720 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.698 -0.324 -7.931 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.281 -1.366 -9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.446 -0.511 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.900 -1.045 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.659 -1.273 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.631 -2.616 -5.170 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.654 -3.085 -9.844 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.789 -3.314 -11.272 1.00 0.00 C ATOM 1519 C VAL A 99 -5.573 -1.996 -12.018 1.00 0.00 C ATOM 1520 O VAL A 99 -4.747 -1.920 -12.927 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.144 -3.956 -11.574 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.011 -5.473 -11.725 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.171 -3.601 -10.497 1.00 0.00 C ATOM 0 H VAL A 99 -6.425 -2.570 -9.420 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.029 -4.013 -11.620 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.500 -3.555 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.989 -5.904 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.328 -5.699 -12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.622 -5.898 -10.800 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.126 -4.070 -10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.822 -3.961 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.298 -2.519 -10.458 1.00 0.00 H new ATOM 1533 N SER A 100 -6.329 -0.989 -11.606 1.00 0.00 N ATOM 1534 CA SER A 100 -6.230 0.323 -12.223 1.00 0.00 C ATOM 1535 C SER A 100 -6.358 0.197 -13.743 1.00 0.00 C ATOM 1536 O SER A 100 -6.529 1.196 -14.440 1.00 0.00 O ATOM 1537 CB SER A 100 -4.912 1.007 -11.857 1.00 0.00 C ATOM 1538 OG SER A 100 -4.862 2.353 -12.320 1.00 0.00 O ATOM 0 H SER A 100 -7.013 -1.055 -10.852 1.00 0.00 H new ATOM 0 HA SER A 100 -7.045 0.940 -11.845 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.784 0.991 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.081 0.446 -12.285 1.00 0.00 H new ATOM 0 HG SER A 100 -5.307 2.416 -13.191 1.00 0.00 H new