USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 12 GLN : amide:sc= -0.908! X(o=0.098!,f=-0.13) USER MOD Set 1.2: A 79 TYR OH : rot 28:sc= 1.01 USER MOD Set 2.1: A 3 THR OG1 : rot 52:sc= 0.279 USER MOD Set 2.2: A 5 CYS SG : rot 180:sc= 0.346 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -103:sc= 0.116 (180deg=0) USER MOD Single : A 2 MET CE :methyl -179:sc= -0.566 (180deg=-0.595) USER MOD Single : A 8 THR OG1 : rot -134:sc= -2.64! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.45) USER MOD Single : A 13 SER OG : rot -42:sc= 0.453 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -157:sc= -0.115 (180deg=-0.668) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.16) USER MOD Single : A 28 CYS SG : rot -20:sc= -1.44 USER MOD Single : A 31 MET CE :methyl 180:sc= -0.123 (180deg=-0.123) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 2.36 (180deg=2.36) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.724 K(o=-0.72,f=-5.6!) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00398) USER MOD Single : A 47 LYS NZ :NH3+ -135:sc= 0.541 (180deg=0.0408) USER MOD Single : A 68 SER OG : rot 28:sc= 0.81 USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.999 USER MOD Single : A 71 MET CE :methyl 142:sc= -0.377 (180deg=-2.42!) USER MOD Single : A 74 TYR OH : rot 151:sc= 0 USER MOD Single : A 75 THR OG1 : rot 80:sc= -0.263 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc=-0.00923 USER MOD Single : A 81 THR OG1 : rot -133:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.105 7.600 -11.756 1.00 0.00 N ATOM 2 CA HIS A 1 2.770 7.317 -11.249 1.00 0.00 C ATOM 3 C HIS A 1 2.650 7.876 -9.863 1.00 0.00 C ATOM 4 O HIS A 1 3.662 8.024 -9.176 1.00 0.00 O ATOM 5 CB HIS A 1 2.501 5.808 -11.195 1.00 0.00 C ATOM 6 CG HIS A 1 2.424 5.112 -12.512 1.00 0.00 C ATOM 7 ND1 HIS A 1 3.517 4.668 -13.224 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.338 4.764 -13.241 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.069 4.084 -14.333 1.00 0.00 C ATOM 10 NE2 HIS A 1 1.747 4.114 -14.394 1.00 0.00 N ATOM 0 H1 HIS A 1 4.061 8.393 -12.427 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.731 7.851 -10.964 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.478 6.758 -12.240 1.00 0.00 H new ATOM 0 HA HIS A 1 2.043 7.775 -11.920 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.288 5.339 -10.604 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.563 5.645 -10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 1 0.312 4.962 -12.967 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.703 3.642 -15.087 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.154 3.738 -15.134 1.00 0.00 H new ATOM 18 N MET A 2 1.437 8.198 -9.457 1.00 0.00 N ATOM 19 CA MET A 2 1.148 8.701 -8.122 1.00 0.00 C ATOM 20 C MET A 2 -0.344 8.773 -7.909 1.00 0.00 C ATOM 21 O MET A 2 -1.078 9.279 -8.759 1.00 0.00 O ATOM 22 CB MET A 2 1.792 10.066 -7.843 1.00 0.00 C ATOM 23 CG MET A 2 1.433 11.159 -8.841 1.00 0.00 C ATOM 24 SD MET A 2 2.119 12.785 -8.418 1.00 0.00 S ATOM 25 CE MET A 2 3.879 12.436 -8.383 1.00 0.00 C ATOM 0 H MET A 2 0.612 8.118 -10.051 1.00 0.00 H new ATOM 0 HA MET A 2 1.589 7.998 -7.415 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.498 10.393 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 2 2.875 9.945 -7.832 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.791 10.869 -9.829 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.348 11.238 -8.906 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.424 13.342 -8.118 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.082 11.661 -7.644 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.201 12.093 -9.366 1.00 0.00 H new ATOM 35 N THR A 3 -0.792 8.242 -6.812 1.00 0.00 N ATOM 36 CA THR A 3 -2.185 8.252 -6.502 1.00 0.00 C ATOM 37 C THR A 3 -2.438 8.970 -5.189 1.00 0.00 C ATOM 38 O THR A 3 -1.784 8.697 -4.154 1.00 0.00 O ATOM 39 CB THR A 3 -2.804 6.823 -6.516 1.00 0.00 C ATOM 40 OG1 THR A 3 -4.207 6.866 -6.219 1.00 0.00 O ATOM 41 CG2 THR A 3 -2.117 5.891 -5.539 1.00 0.00 C ATOM 0 H THR A 3 -0.204 7.792 -6.111 1.00 0.00 H new ATOM 0 HA THR A 3 -2.693 8.809 -7.290 1.00 0.00 H new ATOM 0 HB THR A 3 -2.655 6.434 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.646 7.518 -6.805 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.584 4.907 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.062 5.805 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.210 6.290 -4.529 1.00 0.00 H new ATOM 49 N PHE A 4 -3.319 9.931 -5.249 1.00 0.00 N ATOM 50 CA PHE A 4 -3.698 10.717 -4.105 1.00 0.00 C ATOM 51 C PHE A 4 -5.203 10.827 -4.041 1.00 0.00 C ATOM 52 O PHE A 4 -5.754 11.721 -3.400 1.00 0.00 O ATOM 53 CB PHE A 4 -3.057 12.108 -4.158 1.00 0.00 C ATOM 54 CG PHE A 4 -1.570 12.047 -4.157 1.00 0.00 C ATOM 55 CD1 PHE A 4 -0.878 11.797 -2.988 1.00 0.00 C ATOM 56 CD2 PHE A 4 -0.865 12.201 -5.329 1.00 0.00 C ATOM 57 CE1 PHE A 4 0.490 11.691 -2.998 1.00 0.00 C ATOM 58 CE2 PHE A 4 0.500 12.107 -5.339 1.00 0.00 C ATOM 59 CZ PHE A 4 1.175 11.849 -4.176 1.00 0.00 C ATOM 0 H PHE A 4 -3.802 10.195 -6.108 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.338 10.220 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.396 12.628 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.395 12.694 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.418 11.684 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.394 12.398 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.025 11.484 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.044 12.236 -6.263 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.252 11.769 -4.186 1.00 0.00 H new ATOM 69 N CYS A 5 -5.860 9.905 -4.670 1.00 0.00 N ATOM 70 CA CYS A 5 -7.288 9.863 -4.664 1.00 0.00 C ATOM 71 C CYS A 5 -7.779 8.770 -3.706 1.00 0.00 C ATOM 72 O CYS A 5 -8.127 7.665 -4.116 1.00 0.00 O ATOM 73 CB CYS A 5 -7.802 9.702 -6.097 1.00 0.00 C ATOM 74 SG CYS A 5 -7.020 8.361 -7.026 1.00 0.00 S ATOM 0 H CYS A 5 -5.419 9.157 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.697 10.801 -4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -8.878 9.527 -6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.646 10.638 -6.633 1.00 0.00 H new ATOM 0 HG CYS A 5 -7.526 8.309 -8.222 1.00 0.00 H new ATOM 80 N LEU A 6 -7.748 9.102 -2.418 1.00 0.00 N ATOM 81 CA LEU A 6 -8.105 8.213 -1.340 1.00 0.00 C ATOM 82 C LEU A 6 -9.580 7.957 -1.319 1.00 0.00 C ATOM 83 O LEU A 6 -10.027 6.837 -1.419 1.00 0.00 O ATOM 84 CB LEU A 6 -7.649 8.902 -0.043 1.00 0.00 C ATOM 85 CG LEU A 6 -7.823 8.230 1.324 1.00 0.00 C ATOM 86 CD1 LEU A 6 -7.053 9.037 2.308 1.00 0.00 C ATOM 87 CD2 LEU A 6 -9.276 8.165 1.791 1.00 0.00 C ATOM 0 H LEU A 6 -7.464 10.027 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.625 7.242 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.587 9.120 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.167 9.860 0.006 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.472 7.201 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.150 8.592 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.002 9.056 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.442 10.055 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.324 7.677 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.678 9.175 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.864 7.596 1.071 1.00 0.00 H new ATOM 99 N GLU A 7 -10.355 9.013 -1.279 1.00 0.00 N ATOM 100 CA GLU A 7 -11.785 8.883 -1.166 1.00 0.00 C ATOM 101 C GLU A 7 -12.431 8.458 -2.506 1.00 0.00 C ATOM 102 O GLU A 7 -13.650 8.274 -2.633 1.00 0.00 O ATOM 103 CB GLU A 7 -12.374 10.143 -0.523 1.00 0.00 C ATOM 104 CG GLU A 7 -13.868 10.148 -0.338 1.00 0.00 C ATOM 105 CD GLU A 7 -14.382 11.480 0.106 1.00 0.00 C ATOM 106 OE1 GLU A 7 -13.830 12.511 -0.332 1.00 0.00 O ATOM 107 OE2 GLU A 7 -15.382 11.525 0.841 1.00 0.00 O ATOM 0 H GLU A 7 -10.017 9.974 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.030 8.063 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.906 10.283 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.100 11.002 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.349 9.870 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.143 9.392 0.397 1.00 0.00 H new ATOM 114 N THR A 8 -11.591 8.215 -3.465 1.00 0.00 N ATOM 115 CA THR A 8 -11.994 7.746 -4.736 1.00 0.00 C ATOM 116 C THR A 8 -12.056 6.194 -4.667 1.00 0.00 C ATOM 117 O THR A 8 -12.463 5.515 -5.607 1.00 0.00 O ATOM 118 CB THR A 8 -10.998 8.238 -5.781 1.00 0.00 C ATOM 119 OG1 THR A 8 -10.772 9.635 -5.514 1.00 0.00 O ATOM 120 CG2 THR A 8 -11.554 8.091 -7.195 1.00 0.00 C ATOM 0 H THR A 8 -10.583 8.344 -3.373 1.00 0.00 H new ATOM 0 HA THR A 8 -12.977 8.122 -5.019 1.00 0.00 H new ATOM 0 HB THR A 8 -10.082 7.651 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.814 10.139 -6.353 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.819 8.451 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.772 7.042 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.469 8.675 -7.289 1.00 0.00 H new ATOM 128 N TYR A 9 -11.684 5.647 -3.486 1.00 0.00 N ATOM 129 CA TYR A 9 -11.751 4.202 -3.216 1.00 0.00 C ATOM 130 C TYR A 9 -13.198 3.732 -3.239 1.00 0.00 C ATOM 131 O TYR A 9 -13.488 2.550 -3.420 1.00 0.00 O ATOM 132 CB TYR A 9 -11.057 3.811 -1.861 1.00 0.00 C ATOM 133 CG TYR A 9 -11.554 4.509 -0.550 1.00 0.00 C ATOM 134 CD1 TYR A 9 -12.736 5.247 -0.489 1.00 0.00 C ATOM 135 CD2 TYR A 9 -10.800 4.428 0.615 1.00 0.00 C ATOM 136 CE1 TYR A 9 -13.150 5.868 0.667 1.00 0.00 C ATOM 137 CE2 TYR A 9 -11.213 5.054 1.784 1.00 0.00 C ATOM 138 CZ TYR A 9 -12.390 5.771 1.799 1.00 0.00 C ATOM 139 OH TYR A 9 -12.809 6.400 2.952 1.00 0.00 O ATOM 0 H TYR A 9 -11.332 6.196 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.198 3.696 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.167 2.735 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.991 4.012 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.345 5.334 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.876 3.868 0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.072 6.430 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.613 4.979 2.679 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.161 6.235 3.668 1.00 0.00 H new ATOM 149 N LEU A 10 -14.095 4.695 -3.115 1.00 0.00 N ATOM 150 CA LEU A 10 -15.491 4.445 -3.070 1.00 0.00 C ATOM 151 C LEU A 10 -15.960 4.139 -4.491 1.00 0.00 C ATOM 152 O LEU A 10 -16.777 3.264 -4.715 1.00 0.00 O ATOM 153 CB LEU A 10 -16.198 5.676 -2.477 1.00 0.00 C ATOM 154 CG LEU A 10 -17.600 5.477 -1.874 1.00 0.00 C ATOM 155 CD1 LEU A 10 -18.001 6.719 -1.112 1.00 0.00 C ATOM 156 CD2 LEU A 10 -18.655 5.172 -2.934 1.00 0.00 C ATOM 0 H LEU A 10 -13.851 5.683 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.730 3.591 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.555 6.090 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.275 6.429 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.548 4.616 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.994 6.579 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.284 6.902 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.015 7.573 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -19.625 5.041 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.709 5.999 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -18.385 4.258 -3.463 1.00 0.00 H new ATOM 168 N GLN A 11 -15.346 4.822 -5.452 1.00 0.00 N ATOM 169 CA GLN A 11 -15.650 4.644 -6.869 1.00 0.00 C ATOM 170 C GLN A 11 -15.151 3.274 -7.289 1.00 0.00 C ATOM 171 O GLN A 11 -15.714 2.602 -8.169 1.00 0.00 O ATOM 172 CB GLN A 11 -14.913 5.711 -7.685 1.00 0.00 C ATOM 173 CG GLN A 11 -15.375 5.833 -9.124 1.00 0.00 C ATOM 174 CD GLN A 11 -16.840 6.179 -9.220 1.00 0.00 C ATOM 175 OE1 GLN A 11 -17.698 5.300 -9.270 1.00 0.00 O ATOM 176 NE2 GLN A 11 -17.138 7.445 -9.238 1.00 0.00 N ATOM 0 H GLN A 11 -14.621 5.517 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.723 4.733 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.037 6.676 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.847 5.484 -7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.788 6.600 -9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.189 4.894 -9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.397 8.144 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.113 7.739 -9.295 1.00 0.00 H new ATOM 185 N GLN A 12 -14.096 2.861 -6.618 1.00 0.00 N ATOM 186 CA GLN A 12 -13.472 1.585 -6.849 1.00 0.00 C ATOM 187 C GLN A 12 -14.269 0.471 -6.183 1.00 0.00 C ATOM 188 O GLN A 12 -14.058 -0.712 -6.466 1.00 0.00 O ATOM 189 CB GLN A 12 -12.018 1.593 -6.363 1.00 0.00 C ATOM 190 CG GLN A 12 -11.143 2.657 -7.026 1.00 0.00 C ATOM 191 CD GLN A 12 -9.677 2.554 -6.612 1.00 0.00 C ATOM 192 OE1 GLN A 12 -8.892 1.827 -7.228 1.00 0.00 O ATOM 193 NE2 GLN A 12 -9.285 3.298 -5.606 1.00 0.00 N ATOM 0 H GLN A 12 -13.646 3.413 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.462 1.397 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.008 1.750 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.580 0.612 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.218 2.561 -8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.521 3.646 -6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.957 3.889 -5.116 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.308 3.286 -5.313 1.00 0.00 H new ATOM 202 N SER A 13 -15.166 0.866 -5.295 1.00 0.00 N ATOM 203 CA SER A 13 -16.052 -0.026 -4.583 1.00 0.00 C ATOM 204 C SER A 13 -15.245 -0.908 -3.632 1.00 0.00 C ATOM 205 O SER A 13 -15.630 -2.035 -3.315 1.00 0.00 O ATOM 206 CB SER A 13 -16.924 -0.858 -5.568 1.00 0.00 C ATOM 207 OG SER A 13 -17.897 -1.654 -4.891 1.00 0.00 O ATOM 0 H SER A 13 -15.298 1.846 -5.046 1.00 0.00 H new ATOM 0 HA SER A 13 -16.745 0.564 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.428 -0.185 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.279 -1.505 -6.163 1.00 0.00 H new ATOM 0 HG SER A 13 -17.490 -2.065 -4.099 1.00 0.00 H new ATOM 213 N GLY A 14 -14.159 -0.373 -3.147 1.00 0.00 N ATOM 214 CA GLY A 14 -13.321 -1.110 -2.274 1.00 0.00 C ATOM 215 C GLY A 14 -12.448 -0.208 -1.479 1.00 0.00 C ATOM 216 O GLY A 14 -11.355 0.153 -1.925 1.00 0.00 O ATOM 0 H GLY A 14 -13.842 0.575 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.932 -1.714 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.706 -1.799 -2.852 1.00 0.00 H new ATOM 220 N GLU A 15 -12.950 0.220 -0.341 1.00 0.00 N ATOM 221 CA GLU A 15 -12.189 1.054 0.554 1.00 0.00 C ATOM 222 C GLU A 15 -10.929 0.315 1.003 1.00 0.00 C ATOM 223 O GLU A 15 -10.981 -0.884 1.347 1.00 0.00 O ATOM 224 CB GLU A 15 -13.041 1.494 1.737 1.00 0.00 C ATOM 225 CG GLU A 15 -14.168 2.427 1.336 1.00 0.00 C ATOM 226 CD GLU A 15 -15.108 2.728 2.462 1.00 0.00 C ATOM 227 OE1 GLU A 15 -14.761 3.516 3.359 1.00 0.00 O ATOM 228 OE2 GLU A 15 -16.243 2.176 2.473 1.00 0.00 O ATOM 0 H GLU A 15 -13.891 -0.000 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.881 1.958 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.460 0.614 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.407 1.992 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.745 3.360 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.727 1.980 0.513 1.00 0.00 H new ATOM 235 N TYR A 16 -9.811 0.996 0.940 1.00 0.00 N ATOM 236 CA TYR A 16 -8.538 0.402 1.275 1.00 0.00 C ATOM 237 C TYR A 16 -7.705 1.398 2.060 1.00 0.00 C ATOM 238 O TYR A 16 -6.536 1.167 2.333 1.00 0.00 O ATOM 239 CB TYR A 16 -7.838 0.015 -0.048 1.00 0.00 C ATOM 240 CG TYR A 16 -6.556 -0.799 0.062 1.00 0.00 C ATOM 241 CD1 TYR A 16 -6.566 -2.081 0.596 1.00 0.00 C ATOM 242 CD2 TYR A 16 -5.346 -0.289 -0.393 1.00 0.00 C ATOM 243 CE1 TYR A 16 -5.410 -2.829 0.675 1.00 0.00 C ATOM 244 CE2 TYR A 16 -4.187 -1.034 -0.324 1.00 0.00 C ATOM 245 CZ TYR A 16 -4.224 -2.303 0.211 1.00 0.00 C ATOM 246 OH TYR A 16 -3.071 -3.053 0.273 1.00 0.00 O ATOM 0 H TYR A 16 -9.757 1.974 0.656 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.669 -0.485 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.547 -0.549 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.612 0.932 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.495 -2.499 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.312 0.708 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.434 -3.822 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.256 -0.625 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.295 -4.004 0.200 1.00 0.00 H new ATOM 256 N GLU A 17 -8.350 2.462 2.493 1.00 0.00 N ATOM 257 CA GLU A 17 -7.690 3.547 3.183 1.00 0.00 C ATOM 258 C GLU A 17 -8.644 4.123 4.210 1.00 0.00 C ATOM 259 O GLU A 17 -9.805 3.701 4.289 1.00 0.00 O ATOM 260 CB GLU A 17 -7.336 4.662 2.184 1.00 0.00 C ATOM 261 CG GLU A 17 -6.431 4.248 1.035 1.00 0.00 C ATOM 262 CD GLU A 17 -6.190 5.374 0.077 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.446 6.293 0.432 1.00 0.00 O ATOM 264 OE2 GLU A 17 -6.751 5.352 -1.032 1.00 0.00 O ATOM 0 H GLU A 17 -9.354 2.597 2.374 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.784 3.172 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.261 5.061 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.854 5.474 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.478 3.899 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.881 3.409 0.503 1.00 0.00 H new ATOM 271 N ILE A 18 -8.178 5.073 4.984 1.00 0.00 N ATOM 272 CA ILE A 18 -9.026 5.731 5.928 1.00 0.00 C ATOM 273 C ILE A 18 -9.032 7.200 5.516 1.00 0.00 C ATOM 274 O ILE A 18 -8.087 7.622 4.873 1.00 0.00 O ATOM 275 CB ILE A 18 -8.622 5.525 7.446 1.00 0.00 C ATOM 276 CG1 ILE A 18 -9.733 5.991 8.401 1.00 0.00 C ATOM 277 CG2 ILE A 18 -7.329 6.200 7.806 1.00 0.00 C ATOM 278 CD1 ILE A 18 -10.989 5.143 8.347 1.00 0.00 C ATOM 0 H ILE A 18 -7.213 5.403 4.973 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.023 5.291 5.895 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.480 4.451 7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.347 5.986 9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.993 7.023 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.107 6.022 8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.524 5.796 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.417 7.272 7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.724 5.536 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.401 5.167 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.746 4.115 8.615 1.00 0.00 H new ATOM 290 N HIS A 19 -10.067 7.965 5.838 1.00 0.00 N ATOM 291 CA HIS A 19 -10.173 9.382 5.427 1.00 0.00 C ATOM 292 C HIS A 19 -9.149 10.258 6.166 1.00 0.00 C ATOM 293 O HIS A 19 -9.434 10.930 7.160 1.00 0.00 O ATOM 294 CB HIS A 19 -11.614 9.928 5.570 1.00 0.00 C ATOM 295 CG HIS A 19 -11.797 11.332 5.036 1.00 0.00 C ATOM 296 ND1 HIS A 19 -12.312 12.378 5.769 1.00 0.00 N ATOM 297 CD2 HIS A 19 -11.523 11.841 3.807 1.00 0.00 C ATOM 298 CE1 HIS A 19 -12.336 13.461 4.991 1.00 0.00 C ATOM 299 NE2 HIS A 19 -11.864 13.191 3.784 1.00 0.00 N ATOM 0 H HIS A 19 -10.859 7.634 6.388 1.00 0.00 H new ATOM 0 HA HIS A 19 -9.932 9.426 4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -12.298 9.260 5.047 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.895 9.912 6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.107 11.287 2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.693 14.431 5.304 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -11.770 13.837 3.000 1.00 0.00 H new ATOM 307 N MET A 20 -7.969 10.099 5.726 1.00 0.00 N ATOM 308 CA MET A 20 -6.772 10.788 6.160 1.00 0.00 C ATOM 309 C MET A 20 -6.029 11.261 4.895 1.00 0.00 C ATOM 310 O MET A 20 -6.682 11.630 3.917 1.00 0.00 O ATOM 311 CB MET A 20 -5.946 9.778 6.969 1.00 0.00 C ATOM 312 CG MET A 20 -6.285 9.712 8.451 1.00 0.00 C ATOM 313 SD MET A 20 -5.644 11.125 9.380 1.00 0.00 S ATOM 314 CE MET A 20 -3.874 10.815 9.279 1.00 0.00 C ATOM 0 H MET A 20 -7.770 9.428 4.984 1.00 0.00 H new ATOM 0 HA MET A 20 -6.975 11.658 6.784 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.084 8.788 6.535 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.890 10.027 6.864 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.368 9.666 8.570 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.879 8.792 8.871 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.369 11.320 10.102 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.688 9.743 9.343 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.492 11.194 8.331 1.00 0.00 H new ATOM 324 N LYS A 21 -4.705 11.284 4.894 1.00 0.00 N ATOM 325 CA LYS A 21 -3.965 11.678 3.694 1.00 0.00 C ATOM 326 C LYS A 21 -3.074 10.544 3.224 1.00 0.00 C ATOM 327 O LYS A 21 -2.339 9.963 4.006 1.00 0.00 O ATOM 328 CB LYS A 21 -3.166 12.966 3.909 1.00 0.00 C ATOM 329 CG LYS A 21 -4.047 14.184 4.158 1.00 0.00 C ATOM 330 CD LYS A 21 -3.247 15.474 4.192 1.00 0.00 C ATOM 331 CE LYS A 21 -2.334 15.580 5.397 1.00 0.00 C ATOM 332 NZ LYS A 21 -1.506 16.799 5.329 1.00 0.00 N ATOM 0 H LYS A 21 -4.123 11.039 5.695 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.693 11.889 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.494 12.832 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.542 13.149 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.804 14.249 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.575 14.061 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.649 15.547 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.934 16.320 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.930 15.592 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.691 14.702 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.279 17.119 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.625 16.592 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.029 17.547 4.830 1.00 0.00 H new ATOM 346 N ARG A 22 -3.171 10.223 1.955 1.00 0.00 N ATOM 347 CA ARG A 22 -2.438 9.126 1.357 1.00 0.00 C ATOM 348 C ARG A 22 -1.281 9.598 0.485 1.00 0.00 C ATOM 349 O ARG A 22 -1.151 10.800 0.220 1.00 0.00 O ATOM 350 CB ARG A 22 -3.393 8.327 0.488 1.00 0.00 C ATOM 351 CG ARG A 22 -3.859 8.967 -0.863 1.00 0.00 C ATOM 352 CD ARG A 22 -4.588 10.328 -0.744 1.00 0.00 C ATOM 353 NE ARG A 22 -3.679 11.473 -0.497 1.00 0.00 N ATOM 354 CZ ARG A 22 -4.063 12.745 -0.320 1.00 0.00 C ATOM 355 NH1 ARG A 22 -5.333 13.104 -0.519 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.164 13.660 0.026 1.00 0.00 N ATOM 0 H ARG A 22 -3.770 10.723 1.297 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.022 8.527 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.920 7.372 0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.282 8.109 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.986 9.098 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.521 8.264 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.148 10.511 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.314 10.271 0.067 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.679 11.277 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.020 12.408 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.616 14.074 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.188 13.393 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.450 14.630 0.162 1.00 0.00 H new ATOM 370 N ALA A 23 -0.503 8.640 -0.016 1.00 0.00 N ATOM 371 CA ALA A 23 0.608 8.913 -0.903 1.00 0.00 C ATOM 372 C ALA A 23 1.074 7.652 -1.641 1.00 0.00 C ATOM 373 O ALA A 23 2.071 7.035 -1.271 1.00 0.00 O ATOM 374 CB ALA A 23 1.773 9.520 -0.162 1.00 0.00 C ATOM 0 H ALA A 23 -0.633 7.649 0.188 1.00 0.00 H new ATOM 0 HA ALA A 23 0.244 9.631 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.588 9.711 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.462 10.458 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.112 8.830 0.611 1.00 0.00 H new ATOM 380 N GLY A 24 0.339 7.251 -2.643 1.00 0.00 N ATOM 381 CA GLY A 24 0.690 6.095 -3.413 1.00 0.00 C ATOM 382 C GLY A 24 1.555 6.429 -4.601 1.00 0.00 C ATOM 383 O GLY A 24 1.091 6.392 -5.721 1.00 0.00 O ATOM 0 H GLY A 24 -0.517 7.717 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.215 5.384 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.220 5.603 -3.758 1.00 0.00 H new ATOM 387 N PHE A 25 2.814 6.725 -4.371 1.00 0.00 N ATOM 388 CA PHE A 25 3.704 7.103 -5.467 1.00 0.00 C ATOM 389 C PHE A 25 4.091 5.885 -6.274 1.00 0.00 C ATOM 390 O PHE A 25 3.658 5.701 -7.402 1.00 0.00 O ATOM 391 CB PHE A 25 4.978 7.797 -4.957 1.00 0.00 C ATOM 392 CG PHE A 25 4.807 9.214 -4.491 1.00 0.00 C ATOM 393 CD1 PHE A 25 4.436 9.502 -3.193 1.00 0.00 C ATOM 394 CD2 PHE A 25 5.048 10.262 -5.362 1.00 0.00 C ATOM 395 CE1 PHE A 25 4.305 10.814 -2.776 1.00 0.00 C ATOM 396 CE2 PHE A 25 4.921 11.570 -4.949 1.00 0.00 C ATOM 397 CZ PHE A 25 4.549 11.848 -3.654 1.00 0.00 C ATOM 0 H PHE A 25 3.250 6.714 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 25 3.158 7.807 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.384 7.210 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.721 7.784 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.247 8.697 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.340 10.051 -6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.011 11.029 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.113 12.376 -5.641 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.449 12.872 -3.327 1.00 0.00 H new ATOM 407 N ARG A 26 4.856 5.029 -5.661 1.00 0.00 N ATOM 408 CA ARG A 26 5.354 3.838 -6.317 1.00 0.00 C ATOM 409 C ARG A 26 4.261 2.795 -6.447 1.00 0.00 C ATOM 410 O ARG A 26 4.064 2.199 -7.503 1.00 0.00 O ATOM 411 CB ARG A 26 6.475 3.255 -5.514 1.00 0.00 C ATOM 412 CG ARG A 26 7.783 4.012 -5.483 1.00 0.00 C ATOM 413 CD ARG A 26 8.518 3.909 -6.799 1.00 0.00 C ATOM 414 NE ARG A 26 9.929 4.274 -6.642 1.00 0.00 N ATOM 415 CZ ARG A 26 10.850 4.297 -7.614 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.503 4.228 -8.892 1.00 0.00 N ATOM 417 NH2 ARG A 26 12.122 4.435 -7.297 1.00 0.00 N ATOM 0 H ARG A 26 5.157 5.130 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 26 5.702 4.118 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.128 3.142 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.676 2.254 -5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.592 5.060 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.412 3.620 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.442 2.892 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.049 4.563 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 26 10.238 4.535 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.519 4.156 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.220 4.247 -9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.397 4.523 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.831 4.454 -8.030 1.00 0.00 H new ATOM 431 N GLU A 27 3.514 2.608 -5.385 1.00 0.00 N ATOM 432 CA GLU A 27 2.473 1.609 -5.385 1.00 0.00 C ATOM 433 C GLU A 27 1.234 2.041 -6.121 1.00 0.00 C ATOM 434 O GLU A 27 0.261 1.322 -6.116 1.00 0.00 O ATOM 435 CB GLU A 27 2.132 1.141 -4.017 1.00 0.00 C ATOM 436 CG GLU A 27 3.000 0.088 -3.447 1.00 0.00 C ATOM 437 CD GLU A 27 2.629 -0.188 -2.023 1.00 0.00 C ATOM 438 OE1 GLU A 27 1.626 -0.903 -1.787 1.00 0.00 O ATOM 439 OE2 GLU A 27 3.326 0.336 -1.129 1.00 0.00 O ATOM 0 H GLU A 27 3.607 3.131 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 27 2.894 0.766 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.152 2.000 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.107 0.770 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.908 -0.825 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.043 0.399 -3.503 1.00 0.00 H new ATOM 446 N CYS A 28 1.252 3.232 -6.717 1.00 0.00 N ATOM 447 CA CYS A 28 0.131 3.687 -7.549 1.00 0.00 C ATOM 448 C CYS A 28 -0.214 2.592 -8.566 1.00 0.00 C ATOM 449 O CYS A 28 -1.379 2.227 -8.734 1.00 0.00 O ATOM 450 CB CYS A 28 0.519 4.961 -8.297 1.00 0.00 C ATOM 451 SG CYS A 28 -0.734 5.613 -9.432 1.00 0.00 S ATOM 0 H CYS A 28 2.022 3.897 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.730 3.893 -6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.757 5.733 -7.565 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.430 4.766 -8.863 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.583 4.674 -9.728 1.00 0.00 H new ATOM 457 N ALA A 29 0.821 2.021 -9.178 1.00 0.00 N ATOM 458 CA ALA A 29 0.640 0.962 -10.146 1.00 0.00 C ATOM 459 C ALA A 29 0.332 -0.362 -9.440 1.00 0.00 C ATOM 460 O ALA A 29 -0.454 -1.173 -9.932 1.00 0.00 O ATOM 461 CB ALA A 29 1.861 0.852 -11.041 1.00 0.00 C ATOM 0 H ALA A 29 1.794 2.281 -9.014 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.214 1.202 -10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.711 0.051 -11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.012 1.794 -11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.739 0.632 -10.433 1.00 0.00 H new ATOM 467 N ALA A 30 0.930 -0.547 -8.263 1.00 0.00 N ATOM 468 CA ALA A 30 0.725 -1.725 -7.442 1.00 0.00 C ATOM 469 C ALA A 30 -0.707 -1.866 -7.023 1.00 0.00 C ATOM 470 O ALA A 30 -1.263 -2.927 -7.148 1.00 0.00 O ATOM 471 CB ALA A 30 1.579 -1.671 -6.204 1.00 0.00 C ATOM 0 H ALA A 30 1.576 0.128 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 30 1.006 -2.583 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.408 -2.565 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.630 -1.621 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.319 -0.788 -5.621 1.00 0.00 H new ATOM 477 N MET A 31 -1.308 -0.785 -6.506 1.00 0.00 N ATOM 478 CA MET A 31 -2.704 -0.848 -6.032 1.00 0.00 C ATOM 479 C MET A 31 -3.634 -1.239 -7.150 1.00 0.00 C ATOM 480 O MET A 31 -4.589 -1.967 -6.940 1.00 0.00 O ATOM 481 CB MET A 31 -3.218 0.431 -5.330 1.00 0.00 C ATOM 482 CG MET A 31 -3.171 1.697 -6.162 1.00 0.00 C ATOM 483 SD MET A 31 -4.321 2.978 -5.595 1.00 0.00 S ATOM 484 CE MET A 31 -3.881 3.135 -3.852 1.00 0.00 C ATOM 0 H MET A 31 -0.863 0.127 -6.405 1.00 0.00 H new ATOM 0 HA MET A 31 -2.699 -1.619 -5.261 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.248 0.262 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.630 0.589 -4.426 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.157 2.097 -6.144 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.398 1.449 -7.199 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.512 3.890 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 31 -4.029 2.178 -3.352 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.836 3.432 -3.766 1.00 0.00 H new ATOM 494 N ILE A 32 -3.298 -0.800 -8.346 1.00 0.00 N ATOM 495 CA ILE A 32 -4.054 -1.128 -9.524 1.00 0.00 C ATOM 496 C ILE A 32 -4.009 -2.643 -9.756 1.00 0.00 C ATOM 497 O ILE A 32 -4.975 -3.244 -10.159 1.00 0.00 O ATOM 498 CB ILE A 32 -3.516 -0.347 -10.760 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.700 1.162 -10.536 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.201 -0.787 -12.048 1.00 0.00 C ATOM 501 CD1 ILE A 32 -3.139 2.035 -11.639 1.00 0.00 C ATOM 0 H ILE A 32 -2.489 -0.204 -8.522 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.092 -0.830 -9.380 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.455 -0.570 -10.869 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.764 1.373 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.224 1.437 -9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.798 -0.219 -12.887 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.022 -1.850 -12.210 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.273 -0.607 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.313 3.083 -11.397 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.068 1.858 -11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.632 1.793 -12.581 1.00 0.00 H new ATOM 513 N GLU A 33 -2.916 -3.259 -9.430 1.00 0.00 N ATOM 514 CA GLU A 33 -2.811 -4.689 -9.601 1.00 0.00 C ATOM 515 C GLU A 33 -3.372 -5.407 -8.371 1.00 0.00 C ATOM 516 O GLU A 33 -3.966 -6.475 -8.483 1.00 0.00 O ATOM 517 CB GLU A 33 -1.372 -5.102 -9.874 1.00 0.00 C ATOM 518 CG GLU A 33 -0.697 -4.351 -11.012 1.00 0.00 C ATOM 519 CD GLU A 33 0.719 -4.821 -11.262 1.00 0.00 C ATOM 520 OE1 GLU A 33 1.663 -4.334 -10.598 1.00 0.00 O ATOM 521 OE2 GLU A 33 0.919 -5.690 -12.141 1.00 0.00 O ATOM 0 H GLU A 33 -2.086 -2.806 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.403 -4.981 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.788 -4.956 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.351 -6.168 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.283 -4.476 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.687 -3.285 -10.783 1.00 0.00 H new ATOM 528 N LYS A 34 -3.233 -4.781 -7.215 1.00 0.00 N ATOM 529 CA LYS A 34 -3.740 -5.295 -5.943 1.00 0.00 C ATOM 530 C LYS A 34 -5.251 -5.504 -5.976 1.00 0.00 C ATOM 531 O LYS A 34 -5.791 -6.233 -5.156 1.00 0.00 O ATOM 532 CB LYS A 34 -3.317 -4.374 -4.773 1.00 0.00 C ATOM 533 CG LYS A 34 -1.873 -4.614 -4.285 1.00 0.00 C ATOM 534 CD LYS A 34 -1.061 -3.326 -3.970 1.00 0.00 C ATOM 535 CE LYS A 34 -1.683 -2.390 -2.895 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.857 -1.140 -2.659 1.00 0.00 N ATOM 0 H LYS A 34 -2.756 -3.884 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.292 -6.275 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.417 -3.335 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.002 -4.523 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.907 -5.232 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.339 -5.185 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.064 -3.617 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.938 -2.760 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.688 -2.103 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.783 -2.937 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.380 -0.490 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.044 -1.399 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.667 -0.672 -3.568 1.00 0.00 H new ATOM 550 N LYS A 35 -5.927 -4.898 -6.953 1.00 0.00 N ATOM 551 CA LYS A 35 -7.363 -5.097 -7.070 1.00 0.00 C ATOM 552 C LYS A 35 -7.692 -6.459 -7.699 1.00 0.00 C ATOM 553 O LYS A 35 -8.830 -6.939 -7.603 1.00 0.00 O ATOM 554 CB LYS A 35 -8.052 -3.995 -7.874 1.00 0.00 C ATOM 555 CG LYS A 35 -7.615 -3.872 -9.306 1.00 0.00 C ATOM 556 CD LYS A 35 -8.425 -2.834 -10.071 1.00 0.00 C ATOM 557 CE LYS A 35 -9.867 -3.272 -10.251 1.00 0.00 C ATOM 558 NZ LYS A 35 -10.653 -2.287 -11.009 1.00 0.00 N ATOM 0 H LYS A 35 -5.514 -4.283 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.747 -5.063 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.127 -4.173 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.877 -3.042 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.559 -3.602 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.712 -4.840 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.397 -1.884 -9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.971 -2.665 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.892 -4.231 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.324 -3.425 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.631 -2.626 -11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.651 -1.378 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.233 -2.159 -11.952 1.00 0.00 H new ATOM 572 N ALA A 36 -6.710 -7.086 -8.325 1.00 0.00 N ATOM 573 CA ALA A 36 -6.929 -8.358 -8.994 1.00 0.00 C ATOM 574 C ALA A 36 -7.149 -9.489 -7.990 1.00 0.00 C ATOM 575 O ALA A 36 -8.000 -10.353 -8.202 1.00 0.00 O ATOM 576 CB ALA A 36 -5.787 -8.676 -9.936 1.00 0.00 C ATOM 0 H ALA A 36 -5.754 -6.735 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.840 -8.268 -9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.974 -9.632 -10.425 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.708 -7.893 -10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.856 -8.732 -9.373 1.00 0.00 H new ATOM 582 N ARG A 37 -6.391 -9.455 -6.903 1.00 0.00 N ATOM 583 CA ARG A 37 -6.481 -10.423 -5.807 1.00 0.00 C ATOM 584 C ARG A 37 -5.410 -10.077 -4.806 1.00 0.00 C ATOM 585 O ARG A 37 -5.666 -9.514 -3.759 1.00 0.00 O ATOM 586 CB ARG A 37 -6.241 -11.874 -6.288 1.00 0.00 C ATOM 587 CG ARG A 37 -6.386 -12.931 -5.193 1.00 0.00 C ATOM 588 CD ARG A 37 -5.921 -14.297 -5.674 1.00 0.00 C ATOM 589 NE ARG A 37 -6.687 -14.783 -6.826 1.00 0.00 N ATOM 590 CZ ARG A 37 -6.255 -15.673 -7.734 1.00 0.00 C ATOM 591 NH1 ARG A 37 -5.035 -16.186 -7.654 1.00 0.00 N ATOM 592 NH2 ARG A 37 -7.054 -16.041 -8.717 1.00 0.00 N ATOM 0 H ARG A 37 -5.680 -8.740 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.483 -10.372 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.944 -12.100 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.240 -11.943 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.805 -12.634 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.428 -12.990 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.866 -14.243 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.007 -15.014 -4.857 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.630 -14.413 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.412 -15.905 -6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.719 -16.861 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.994 -15.650 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.732 -16.717 -9.410 1.00 0.00 H new ATOM 606 N ARG A 38 -4.203 -10.363 -5.197 1.00 0.00 N ATOM 607 CA ARG A 38 -3.036 -10.161 -4.403 1.00 0.00 C ATOM 608 C ARG A 38 -1.904 -10.061 -5.397 1.00 0.00 C ATOM 609 O ARG A 38 -1.698 -11.008 -6.151 1.00 0.00 O ATOM 610 CB ARG A 38 -2.808 -11.398 -3.514 1.00 0.00 C ATOM 611 CG ARG A 38 -1.638 -11.278 -2.551 1.00 0.00 C ATOM 612 CD ARG A 38 -1.327 -12.608 -1.878 1.00 0.00 C ATOM 613 NE ARG A 38 -0.789 -13.568 -2.845 1.00 0.00 N ATOM 614 CZ ARG A 38 -0.176 -14.723 -2.560 1.00 0.00 C ATOM 615 NH1 ARG A 38 -0.084 -15.158 -1.307 1.00 0.00 N ATOM 616 NH2 ARG A 38 0.340 -15.443 -3.548 1.00 0.00 N ATOM 0 H ARG A 38 -4.001 -10.759 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.115 -9.281 -3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.715 -11.589 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.647 -12.265 -4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.757 -10.927 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.866 -10.530 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.608 -12.454 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.232 -13.011 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.892 -13.333 -3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.484 -14.609 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.387 -16.041 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.267 -15.114 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.810 -16.325 -3.345 1.00 0.00 H new ATOM 630 N VAL A 39 -1.227 -8.945 -5.486 1.00 0.00 N ATOM 631 CA VAL A 39 -0.163 -8.835 -6.480 1.00 0.00 C ATOM 632 C VAL A 39 1.105 -8.248 -5.882 1.00 0.00 C ATOM 633 O VAL A 39 1.041 -7.424 -4.949 1.00 0.00 O ATOM 634 CB VAL A 39 -0.618 -8.001 -7.734 1.00 0.00 C ATOM 635 CG1 VAL A 39 0.516 -7.853 -8.753 1.00 0.00 C ATOM 636 CG2 VAL A 39 -1.803 -8.666 -8.414 1.00 0.00 C ATOM 0 H VAL A 39 -1.377 -8.118 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 39 0.058 -9.849 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.902 -7.012 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.165 -7.271 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.359 -7.342 -8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.832 -8.840 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.104 -8.076 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.521 -9.668 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.635 -8.732 -7.713 1.00 0.00 H new ATOM 646 N VAL A 40 2.240 -8.716 -6.385 1.00 0.00 N ATOM 647 CA VAL A 40 3.530 -8.241 -5.988 1.00 0.00 C ATOM 648 C VAL A 40 3.963 -7.143 -6.933 1.00 0.00 C ATOM 649 O VAL A 40 3.764 -7.243 -8.153 1.00 0.00 O ATOM 650 CB VAL A 40 4.612 -9.387 -5.912 1.00 0.00 C ATOM 651 CG1 VAL A 40 4.769 -10.116 -7.243 1.00 0.00 C ATOM 652 CG2 VAL A 40 5.967 -8.848 -5.446 1.00 0.00 C ATOM 0 H VAL A 40 2.275 -9.450 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 40 3.446 -7.847 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 40 4.251 -10.105 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.524 -10.896 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.817 -10.566 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.078 -9.408 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.689 -9.664 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.317 -8.089 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.862 -8.407 -4.455 1.00 0.00 H new ATOM 662 N HIS A 41 4.528 -6.103 -6.396 1.00 0.00 N ATOM 663 CA HIS A 41 4.947 -5.021 -7.179 1.00 0.00 C ATOM 664 C HIS A 41 6.274 -4.591 -6.627 1.00 0.00 C ATOM 665 O HIS A 41 6.417 -4.372 -5.410 1.00 0.00 O ATOM 666 CB HIS A 41 3.907 -3.899 -7.135 1.00 0.00 C ATOM 667 CG HIS A 41 4.119 -2.783 -8.128 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.533 -2.739 -9.381 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.858 -1.650 -8.028 1.00 0.00 C ATOM 670 CE1 HIS A 41 3.943 -1.635 -9.988 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.748 -0.931 -9.209 1.00 0.00 N ATOM 0 H HIS A 41 4.704 -5.998 -5.397 1.00 0.00 H new ATOM 0 HA HIS A 41 5.051 -5.292 -8.230 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.922 -4.333 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.898 -3.473 -6.132 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.897 -3.435 -9.769 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.439 -1.355 -7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.657 -1.347 -10.989 1.00 0.00 H new ATOM 679 N ILE A 42 7.231 -4.537 -7.478 1.00 0.00 N ATOM 680 CA ILE A 42 8.565 -4.203 -7.108 1.00 0.00 C ATOM 681 C ILE A 42 8.706 -2.683 -7.113 1.00 0.00 C ATOM 682 O ILE A 42 8.151 -2.011 -7.987 1.00 0.00 O ATOM 683 CB ILE A 42 9.550 -4.876 -8.078 1.00 0.00 C ATOM 684 CG1 ILE A 42 9.277 -6.392 -8.117 1.00 0.00 C ATOM 685 CG2 ILE A 42 10.991 -4.614 -7.652 1.00 0.00 C ATOM 686 CD1 ILE A 42 10.099 -7.148 -9.135 1.00 0.00 C ATOM 0 H ILE A 42 7.111 -4.727 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 42 8.793 -4.566 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 42 9.407 -4.455 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.471 -6.809 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.220 -6.553 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 42 11.671 -5.099 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.180 -3.540 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.153 -5.015 -6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.844 -8.207 -9.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.888 -6.761 -10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.159 -7.022 -8.913 1.00 0.00 H new ATOM 698 N LYS A 43 9.431 -2.164 -6.129 1.00 0.00 N ATOM 699 CA LYS A 43 9.614 -0.730 -5.910 1.00 0.00 C ATOM 700 C LYS A 43 8.296 -0.092 -5.443 1.00 0.00 C ATOM 701 O LYS A 43 7.660 0.624 -6.199 1.00 0.00 O ATOM 702 CB LYS A 43 10.192 0.071 -7.120 1.00 0.00 C ATOM 703 CG LYS A 43 11.613 -0.272 -7.547 1.00 0.00 C ATOM 704 CD LYS A 43 12.126 0.743 -8.567 1.00 0.00 C ATOM 705 CE LYS A 43 13.557 0.454 -9.029 1.00 0.00 C ATOM 706 NZ LYS A 43 13.667 -0.800 -9.808 1.00 0.00 N ATOM 0 H LYS A 43 9.920 -2.740 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 43 10.378 -0.664 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.533 -0.080 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.157 1.132 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.268 -0.283 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.638 -1.273 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.464 0.746 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.085 1.741 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.913 1.286 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.210 0.394 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.650 -0.928 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.387 -1.605 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.041 -0.750 -10.637 1.00 0.00 H new ATOM 720 N PRO A 44 7.801 -0.459 -4.237 1.00 0.00 N ATOM 721 CA PRO A 44 6.588 0.118 -3.673 1.00 0.00 C ATOM 722 C PRO A 44 6.857 1.393 -2.848 1.00 0.00 C ATOM 723 O PRO A 44 7.989 1.642 -2.400 1.00 0.00 O ATOM 724 CB PRO A 44 6.099 -0.995 -2.774 1.00 0.00 C ATOM 725 CG PRO A 44 7.345 -1.588 -2.248 1.00 0.00 C ATOM 726 CD PRO A 44 8.301 -1.551 -3.386 1.00 0.00 C ATOM 0 HA PRO A 44 5.881 0.434 -4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.466 -0.614 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.509 -1.726 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.723 -1.021 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.181 -2.609 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.319 -1.358 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.319 -2.499 -3.923 1.00 0.00 H new ATOM 734 N GLY A 45 5.812 2.174 -2.629 1.00 0.00 N ATOM 735 CA GLY A 45 5.943 3.411 -1.921 1.00 0.00 C ATOM 736 C GLY A 45 4.623 4.122 -1.862 1.00 0.00 C ATOM 737 O GLY A 45 4.432 5.156 -2.500 1.00 0.00 O ATOM 0 H GLY A 45 4.864 1.961 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.307 3.223 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.682 4.043 -2.414 1.00 0.00 H new ATOM 741 N GLU A 46 3.696 3.488 -1.224 1.00 0.00 N ATOM 742 CA GLU A 46 2.376 4.010 -0.988 1.00 0.00 C ATOM 743 C GLU A 46 2.164 4.128 0.492 1.00 0.00 C ATOM 744 O GLU A 46 1.981 3.136 1.205 1.00 0.00 O ATOM 745 CB GLU A 46 1.360 3.107 -1.663 1.00 0.00 C ATOM 746 CG GLU A 46 -0.103 3.177 -1.314 1.00 0.00 C ATOM 747 CD GLU A 46 -0.828 1.960 -1.911 1.00 0.00 C ATOM 748 OE1 GLU A 46 -0.969 1.873 -3.147 1.00 0.00 O ATOM 749 OE2 GLU A 46 -1.206 1.032 -1.150 1.00 0.00 O ATOM 0 H GLU A 46 3.835 2.556 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 46 2.255 5.005 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.440 3.285 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.680 2.080 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.230 3.195 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.537 4.099 -1.701 1.00 0.00 H new ATOM 756 N LYS A 47 2.296 5.320 0.955 1.00 0.00 N ATOM 757 CA LYS A 47 2.087 5.619 2.319 1.00 0.00 C ATOM 758 C LYS A 47 0.706 6.096 2.499 1.00 0.00 C ATOM 759 O LYS A 47 0.401 7.267 2.312 1.00 0.00 O ATOM 760 CB LYS A 47 3.097 6.630 2.844 1.00 0.00 C ATOM 761 CG LYS A 47 4.217 5.997 3.640 1.00 0.00 C ATOM 762 CD LYS A 47 3.703 5.471 4.976 1.00 0.00 C ATOM 763 CE LYS A 47 4.743 4.604 5.673 1.00 0.00 C ATOM 764 NZ LYS A 47 4.225 3.989 6.916 1.00 0.00 N ATOM 0 H LYS A 47 2.556 6.125 0.385 1.00 0.00 H new ATOM 0 HA LYS A 47 2.235 4.711 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.523 7.178 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.581 7.357 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.659 5.181 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.006 6.729 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.436 6.309 5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.794 4.891 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.072 3.819 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.618 5.210 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.932 4.087 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.346 4.467 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.033 2.980 6.750 1.00 0.00 H new ATOM 778 N ILE A 48 -0.158 5.194 2.778 1.00 0.00 N ATOM 779 CA ILE A 48 -1.487 5.570 2.984 1.00 0.00 C ATOM 780 C ILE A 48 -1.731 5.832 4.433 1.00 0.00 C ATOM 781 O ILE A 48 -1.590 4.940 5.278 1.00 0.00 O ATOM 782 CB ILE A 48 -2.552 4.604 2.387 1.00 0.00 C ATOM 783 CG1 ILE A 48 -2.434 3.171 2.906 1.00 0.00 C ATOM 784 CG2 ILE A 48 -2.502 4.622 0.870 1.00 0.00 C ATOM 785 CD1 ILE A 48 -3.566 2.286 2.425 1.00 0.00 C ATOM 0 H ILE A 48 0.038 4.197 2.867 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.621 6.491 2.417 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.520 4.976 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.483 2.748 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.423 3.182 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.254 3.940 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.702 5.632 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.514 4.307 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.435 1.279 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.517 2.691 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.562 2.250 1.336 1.00 0.00 H new ATOM 797 N LEU A 49 -1.942 7.102 4.720 1.00 0.00 N ATOM 798 CA LEU A 49 -2.306 7.646 6.041 1.00 0.00 C ATOM 799 C LEU A 49 -1.177 7.530 7.060 1.00 0.00 C ATOM 800 O LEU A 49 -1.315 7.954 8.211 1.00 0.00 O ATOM 801 CB LEU A 49 -3.595 6.973 6.621 1.00 0.00 C ATOM 802 CG LEU A 49 -4.783 6.639 5.657 1.00 0.00 C ATOM 803 CD1 LEU A 49 -4.903 7.567 4.469 1.00 0.00 C ATOM 804 CD2 LEU A 49 -4.814 5.166 5.257 1.00 0.00 C ATOM 0 H LEU A 49 -1.863 7.831 4.011 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.504 8.704 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.291 6.043 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.982 7.625 7.404 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.681 6.827 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.751 7.264 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.055 8.588 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.990 7.519 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.656 4.988 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.886 4.908 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.922 4.549 6.149 1.00 0.00 H new ATOM 816 N GLY A 50 -0.084 6.945 6.654 1.00 0.00 N ATOM 817 CA GLY A 50 1.027 6.716 7.539 1.00 0.00 C ATOM 818 C GLY A 50 0.866 5.379 8.232 1.00 0.00 C ATOM 819 O GLY A 50 1.841 4.666 8.490 1.00 0.00 O ATOM 0 H GLY A 50 0.063 6.613 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.961 6.734 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.085 7.514 8.279 1.00 0.00 H new ATOM 823 N ALA A 51 -0.369 5.032 8.481 1.00 0.00 N ATOM 824 CA ALA A 51 -0.752 3.814 9.105 1.00 0.00 C ATOM 825 C ALA A 51 -1.710 3.146 8.169 1.00 0.00 C ATOM 826 O ALA A 51 -2.712 3.747 7.777 1.00 0.00 O ATOM 827 CB ALA A 51 -1.422 4.091 10.444 1.00 0.00 C ATOM 0 H ALA A 51 -1.164 5.624 8.240 1.00 0.00 H new ATOM 0 HA ALA A 51 0.113 3.181 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.709 3.148 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.727 4.620 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.310 4.703 10.287 1.00 0.00 H new ATOM 833 N ARG A 52 -1.381 1.949 7.772 1.00 0.00 N ATOM 834 CA ARG A 52 -2.174 1.191 6.829 1.00 0.00 C ATOM 835 C ARG A 52 -3.561 0.860 7.433 1.00 0.00 C ATOM 836 O ARG A 52 -3.668 -0.015 8.285 1.00 0.00 O ATOM 837 CB ARG A 52 -1.403 -0.110 6.483 1.00 0.00 C ATOM 838 CG ARG A 52 -2.015 -0.980 5.394 1.00 0.00 C ATOM 839 CD ARG A 52 -1.895 -0.353 4.016 1.00 0.00 C ATOM 840 NE ARG A 52 -0.503 -0.309 3.506 1.00 0.00 N ATOM 841 CZ ARG A 52 -0.153 -0.023 2.224 1.00 0.00 C ATOM 842 NH1 ARG A 52 -1.090 0.287 1.338 1.00 0.00 N ATOM 843 NH2 ARG A 52 1.127 -0.042 1.856 1.00 0.00 N ATOM 0 H ARG A 52 -0.545 1.461 8.095 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.339 1.775 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.392 0.161 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.313 -0.708 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.524 -1.953 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.067 -1.154 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.513 -0.914 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.293 0.661 4.051 1.00 0.00 H new ATOM 0 HE ARG A 52 0.248 -0.508 4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.070 0.310 1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.830 0.502 0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.850 -0.272 2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.384 0.173 0.893 1.00 0.00 H new ATOM 857 N ILE A 53 -4.597 1.616 7.063 1.00 0.00 N ATOM 858 CA ILE A 53 -5.931 1.346 7.526 1.00 0.00 C ATOM 859 C ILE A 53 -6.753 1.125 6.297 1.00 0.00 C ATOM 860 O ILE A 53 -6.642 1.889 5.367 1.00 0.00 O ATOM 861 CB ILE A 53 -6.520 2.523 8.371 1.00 0.00 C ATOM 862 CG1 ILE A 53 -5.589 2.823 9.565 1.00 0.00 C ATOM 863 CG2 ILE A 53 -7.929 2.169 8.869 1.00 0.00 C ATOM 864 CD1 ILE A 53 -6.036 3.968 10.449 1.00 0.00 C ATOM 0 H ILE A 53 -4.522 2.421 6.441 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.933 0.479 8.187 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.590 3.411 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.503 1.924 10.175 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.593 3.045 9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.326 2.997 9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.581 1.983 8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.881 1.275 9.490 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.320 4.103 11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.093 4.883 9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.018 3.744 10.866 1.00 0.00 H new ATOM 876 N ILE A 54 -7.510 0.068 6.275 1.00 0.00 N ATOM 877 CA ILE A 54 -8.309 -0.292 5.128 1.00 0.00 C ATOM 878 C ILE A 54 -9.747 0.156 5.340 1.00 0.00 C ATOM 879 O ILE A 54 -10.464 0.488 4.400 1.00 0.00 O ATOM 880 CB ILE A 54 -8.229 -1.837 4.928 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.758 -2.227 4.687 1.00 0.00 C ATOM 882 CG2 ILE A 54 -9.132 -2.340 3.793 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.523 -3.691 4.446 1.00 0.00 C ATOM 0 H ILE A 54 -7.595 -0.579 7.059 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.931 0.204 4.234 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.600 -2.320 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.385 -1.668 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.169 -1.917 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.033 -3.422 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.169 -2.087 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.836 -1.869 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.459 -3.867 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.860 -4.261 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.079 -4.008 3.564 1.00 0.00 H new ATOM 895 N GLY A 55 -10.156 0.145 6.584 1.00 0.00 N ATOM 896 CA GLY A 55 -11.495 0.527 6.942 1.00 0.00 C ATOM 897 C GLY A 55 -12.329 -0.701 7.156 1.00 0.00 C ATOM 898 O GLY A 55 -13.284 -0.710 7.932 1.00 0.00 O ATOM 0 H GLY A 55 -9.571 -0.128 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.481 1.132 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.931 1.142 6.155 1.00 0.00 H new ATOM 902 N ILE A 56 -11.950 -1.732 6.466 1.00 0.00 N ATOM 903 CA ILE A 56 -12.573 -3.010 6.550 1.00 0.00 C ATOM 904 C ILE A 56 -11.550 -3.963 7.139 1.00 0.00 C ATOM 905 O ILE A 56 -10.486 -4.160 6.541 1.00 0.00 O ATOM 906 CB ILE A 56 -13.044 -3.538 5.150 1.00 0.00 C ATOM 907 CG1 ILE A 56 -14.224 -2.722 4.557 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.406 -5.021 5.203 1.00 0.00 C ATOM 909 CD1 ILE A 56 -13.876 -1.335 4.050 1.00 0.00 C ATOM 0 H ILE A 56 -11.172 -1.702 5.807 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.466 -2.936 7.170 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.192 -3.405 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.658 -3.291 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.996 -2.627 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.728 -5.352 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.534 -5.597 5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.214 -5.173 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.773 -0.855 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -13.474 -0.739 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.131 -1.413 3.258 1.00 0.00 H new ATOM 921 N PRO A 57 -11.830 -4.523 8.317 1.00 0.00 N ATOM 922 CA PRO A 57 -10.908 -5.418 9.005 1.00 0.00 C ATOM 923 C PRO A 57 -10.767 -6.796 8.327 1.00 0.00 C ATOM 924 O PRO A 57 -11.730 -7.578 8.258 1.00 0.00 O ATOM 925 CB PRO A 57 -11.524 -5.574 10.402 1.00 0.00 C ATOM 926 CG PRO A 57 -12.971 -5.287 10.222 1.00 0.00 C ATOM 927 CD PRO A 57 -13.079 -4.317 9.083 1.00 0.00 C ATOM 0 HA PRO A 57 -9.897 -5.009 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.367 -6.580 10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.070 -4.883 11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.523 -6.202 10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.398 -4.865 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.959 -4.516 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.164 -3.291 9.440 1.00 0.00 H new ATOM 935 N PRO A 58 -9.594 -7.094 7.759 1.00 0.00 N ATOM 936 CA PRO A 58 -9.318 -8.376 7.154 1.00 0.00 C ATOM 937 C PRO A 58 -8.698 -9.281 8.191 1.00 0.00 C ATOM 938 O PRO A 58 -8.656 -8.938 9.378 1.00 0.00 O ATOM 939 CB PRO A 58 -8.258 -8.035 6.087 1.00 0.00 C ATOM 940 CG PRO A 58 -7.912 -6.589 6.289 1.00 0.00 C ATOM 941 CD PRO A 58 -8.442 -6.205 7.635 1.00 0.00 C ATOM 0 HA PRO A 58 -10.201 -8.872 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.376 -8.666 6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.647 -8.206 5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.834 -6.438 6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.356 -5.972 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.710 -6.369 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.728 -5.154 7.679 1.00 0.00 H new ATOM 949 N VAL A 59 -8.226 -10.417 7.782 1.00 0.00 N ATOM 950 CA VAL A 59 -7.565 -11.270 8.709 1.00 0.00 C ATOM 951 C VAL A 59 -6.126 -10.748 8.815 1.00 0.00 C ATOM 952 O VAL A 59 -5.535 -10.410 7.794 1.00 0.00 O ATOM 953 CB VAL A 59 -7.605 -12.755 8.269 1.00 0.00 C ATOM 954 CG1 VAL A 59 -6.875 -13.649 9.260 1.00 0.00 C ATOM 955 CG2 VAL A 59 -9.043 -13.220 8.095 1.00 0.00 C ATOM 0 H VAL A 59 -8.286 -10.768 6.826 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.065 -11.249 9.677 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.092 -12.831 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.923 -14.684 8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.833 -13.338 9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.346 -13.567 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.053 -14.265 7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.576 -13.116 9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.532 -12.612 7.334 1.00 0.00 H new ATOM 965 N PRO A 60 -5.565 -10.578 10.010 1.00 0.00 N ATOM 966 CA PRO A 60 -4.237 -10.030 10.150 1.00 0.00 C ATOM 967 C PRO A 60 -3.117 -11.057 9.937 1.00 0.00 C ATOM 968 O PRO A 60 -2.471 -11.491 10.897 1.00 0.00 O ATOM 969 CB PRO A 60 -4.203 -9.468 11.586 1.00 0.00 C ATOM 970 CG PRO A 60 -5.531 -9.819 12.201 1.00 0.00 C ATOM 971 CD PRO A 60 -6.162 -10.859 11.319 1.00 0.00 C ATOM 0 HA PRO A 60 -4.052 -9.276 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.382 -9.903 12.156 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.049 -8.389 11.579 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.398 -10.201 13.213 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.168 -8.937 12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.935 -11.870 11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.248 -10.766 11.297 1.00 0.00 H new ATOM 979 N ILE A 61 -2.928 -11.499 8.703 1.00 0.00 N ATOM 980 CA ILE A 61 -1.844 -12.402 8.418 1.00 0.00 C ATOM 981 C ILE A 61 -0.702 -11.603 7.841 1.00 0.00 C ATOM 982 O ILE A 61 -0.649 -11.317 6.665 1.00 0.00 O ATOM 983 CB ILE A 61 -2.229 -13.625 7.521 1.00 0.00 C ATOM 984 CG1 ILE A 61 -3.298 -14.497 8.217 1.00 0.00 C ATOM 985 CG2 ILE A 61 -1.001 -14.475 7.180 1.00 0.00 C ATOM 986 CD1 ILE A 61 -2.906 -15.020 9.591 1.00 0.00 C ATOM 0 H ILE A 61 -3.505 -11.247 7.900 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.544 -12.867 9.357 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.642 -13.233 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.214 -13.914 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.528 -15.346 7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.303 -15.316 6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.275 -13.866 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.550 -14.849 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.720 -15.620 9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.010 -15.635 9.504 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.707 -14.180 10.257 1.00 0.00 H new ATOM 998 N GLY A 62 0.161 -11.167 8.698 1.00 0.00 N ATOM 999 CA GLY A 62 1.239 -10.360 8.268 1.00 0.00 C ATOM 1000 C GLY A 62 2.448 -11.175 7.945 1.00 0.00 C ATOM 1001 O GLY A 62 3.137 -11.671 8.844 1.00 0.00 O ATOM 0 H GLY A 62 0.135 -11.360 9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.939 -9.791 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.485 -9.637 9.046 1.00 0.00 H new ATOM 1005 N ILE A 63 2.692 -11.365 6.687 1.00 0.00 N ATOM 1006 CA ILE A 63 3.853 -12.090 6.247 1.00 0.00 C ATOM 1007 C ILE A 63 4.874 -11.070 5.774 1.00 0.00 C ATOM 1008 O ILE A 63 5.001 -10.800 4.588 1.00 0.00 O ATOM 1009 CB ILE A 63 3.537 -13.082 5.087 1.00 0.00 C ATOM 1010 CG1 ILE A 63 2.337 -13.963 5.452 1.00 0.00 C ATOM 1011 CG2 ILE A 63 4.760 -13.955 4.783 1.00 0.00 C ATOM 1012 CD1 ILE A 63 1.889 -14.898 4.345 1.00 0.00 C ATOM 0 H ILE A 63 2.096 -11.024 5.933 1.00 0.00 H new ATOM 0 HA ILE A 63 4.228 -12.688 7.078 1.00 0.00 H new ATOM 0 HB ILE A 63 3.290 -12.505 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.590 -14.555 6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.501 -13.321 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.524 -14.642 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.596 -13.320 4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.031 -14.524 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.036 -15.484 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.601 -14.315 3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.707 -15.568 4.081 1.00 0.00 H new ATOM 1024 N ASP A 64 5.515 -10.430 6.699 1.00 0.00 N ATOM 1025 CA ASP A 64 6.478 -9.421 6.361 1.00 0.00 C ATOM 1026 C ASP A 64 7.861 -9.893 6.704 1.00 0.00 C ATOM 1027 O ASP A 64 8.153 -10.227 7.850 1.00 0.00 O ATOM 1028 CB ASP A 64 6.155 -8.048 7.006 1.00 0.00 C ATOM 1029 CG ASP A 64 6.182 -8.033 8.521 1.00 0.00 C ATOM 1030 OD1 ASP A 64 5.172 -8.422 9.151 1.00 0.00 O ATOM 1031 OD2 ASP A 64 7.202 -7.600 9.107 1.00 0.00 O ATOM 0 H ASP A 64 5.391 -10.586 7.699 1.00 0.00 H new ATOM 0 HA ASP A 64 6.426 -9.259 5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.870 -7.312 6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.168 -7.729 6.671 1.00 0.00 H new ATOM 1036 N GLU A 65 8.685 -9.985 5.699 1.00 0.00 N ATOM 1037 CA GLU A 65 10.051 -10.428 5.871 1.00 0.00 C ATOM 1038 C GLU A 65 10.957 -9.248 6.141 1.00 0.00 C ATOM 1039 O GLU A 65 11.627 -9.172 7.171 1.00 0.00 O ATOM 1040 CB GLU A 65 10.512 -11.159 4.609 1.00 0.00 C ATOM 1041 CG GLU A 65 9.790 -12.467 4.350 1.00 0.00 C ATOM 1042 CD GLU A 65 10.119 -13.496 5.391 1.00 0.00 C ATOM 1043 OE1 GLU A 65 11.119 -14.216 5.220 1.00 0.00 O ATOM 1044 OE2 GLU A 65 9.420 -13.588 6.405 1.00 0.00 O ATOM 0 H GLU A 65 8.435 -9.757 4.737 1.00 0.00 H new ATOM 0 HA GLU A 65 10.100 -11.106 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.371 -10.503 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.581 -11.356 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.714 -12.293 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.063 -12.845 3.365 1.00 0.00 H new ATOM 1051 N GLU A 66 10.932 -8.332 5.225 1.00 0.00 N ATOM 1052 CA GLU A 66 11.735 -7.148 5.233 1.00 0.00 C ATOM 1053 C GLU A 66 11.063 -6.223 4.254 1.00 0.00 C ATOM 1054 O GLU A 66 10.185 -6.665 3.526 1.00 0.00 O ATOM 1055 CB GLU A 66 13.186 -7.527 4.802 1.00 0.00 C ATOM 1056 CG GLU A 66 14.199 -6.396 4.633 1.00 0.00 C ATOM 1057 CD GLU A 66 14.261 -5.483 5.807 1.00 0.00 C ATOM 1058 OE1 GLU A 66 14.970 -5.783 6.770 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.561 -4.461 5.792 1.00 0.00 O ATOM 0 H GLU A 66 10.321 -8.392 4.410 1.00 0.00 H new ATOM 0 HA GLU A 66 11.817 -6.670 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.583 -8.224 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.124 -8.065 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.187 -6.824 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.944 -5.818 3.745 1.00 0.00 H new ATOM 1066 N ARG A 67 11.434 -4.983 4.238 1.00 0.00 N ATOM 1067 CA ARG A 67 10.817 -4.025 3.333 1.00 0.00 C ATOM 1068 C ARG A 67 11.475 -4.177 1.979 1.00 0.00 C ATOM 1069 O ARG A 67 10.883 -3.939 0.929 1.00 0.00 O ATOM 1070 CB ARG A 67 10.982 -2.608 3.872 1.00 0.00 C ATOM 1071 CG ARG A 67 9.812 -1.677 3.569 1.00 0.00 C ATOM 1072 CD ARG A 67 9.629 -1.354 2.087 1.00 0.00 C ATOM 1073 NE ARG A 67 8.434 -0.520 1.875 1.00 0.00 N ATOM 1074 CZ ARG A 67 8.177 0.258 0.816 1.00 0.00 C ATOM 1075 NH1 ARG A 67 9.075 0.403 -0.154 1.00 0.00 N ATOM 1076 NH2 ARG A 67 7.033 0.916 0.752 1.00 0.00 N ATOM 0 H ARG A 67 12.162 -4.594 4.837 1.00 0.00 H new ATOM 0 HA ARG A 67 9.747 -4.213 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.121 -2.657 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.891 -2.177 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.895 -2.131 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.954 -0.745 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.511 -0.835 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.538 -2.279 1.518 1.00 0.00 H new ATOM 0 HE ARG A 67 7.729 -0.537 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.971 -0.081 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.868 0.998 -0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.352 0.830 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.831 1.510 -0.052 1.00 0.00 H new ATOM 1090 N SER A 68 12.689 -4.617 2.025 1.00 0.00 N ATOM 1091 CA SER A 68 13.463 -4.875 0.849 1.00 0.00 C ATOM 1092 C SER A 68 13.319 -6.364 0.471 1.00 0.00 C ATOM 1093 O SER A 68 14.208 -7.003 -0.101 1.00 0.00 O ATOM 1094 CB SER A 68 14.922 -4.466 1.088 1.00 0.00 C ATOM 1095 OG SER A 68 15.682 -4.524 -0.107 1.00 0.00 O ATOM 0 H SER A 68 13.183 -4.812 2.896 1.00 0.00 H new ATOM 0 HA SER A 68 13.100 -4.281 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.955 -3.454 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.367 -5.123 1.835 1.00 0.00 H new ATOM 0 HG SER A 68 15.095 -4.368 -0.876 1.00 0.00 H new ATOM 1101 N THR A 69 12.187 -6.882 0.786 1.00 0.00 N ATOM 1102 CA THR A 69 11.804 -8.230 0.520 1.00 0.00 C ATOM 1103 C THR A 69 10.282 -8.200 0.440 1.00 0.00 C ATOM 1104 O THR A 69 9.684 -7.197 0.826 1.00 0.00 O ATOM 1105 CB THR A 69 12.280 -9.167 1.667 1.00 0.00 C ATOM 1106 OG1 THR A 69 13.686 -8.949 1.897 1.00 0.00 O ATOM 1107 CG2 THR A 69 12.081 -10.633 1.309 1.00 0.00 C ATOM 0 H THR A 69 11.459 -6.350 1.263 1.00 0.00 H new ATOM 0 HA THR A 69 12.251 -8.612 -0.398 1.00 0.00 H new ATOM 0 HB THR A 69 11.691 -8.938 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.029 -9.639 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.424 -11.259 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.023 -10.822 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.653 -10.869 0.412 1.00 0.00 H new ATOM 1115 N VAL A 70 9.684 -9.211 -0.121 1.00 0.00 N ATOM 1116 CA VAL A 70 8.244 -9.274 -0.228 1.00 0.00 C ATOM 1117 C VAL A 70 7.553 -9.332 1.131 1.00 0.00 C ATOM 1118 O VAL A 70 7.964 -10.072 2.039 1.00 0.00 O ATOM 1119 CB VAL A 70 7.755 -10.469 -1.104 1.00 0.00 C ATOM 1120 CG1 VAL A 70 8.120 -10.272 -2.560 1.00 0.00 C ATOM 1121 CG2 VAL A 70 8.294 -11.805 -0.593 1.00 0.00 C ATOM 0 H VAL A 70 10.172 -10.014 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 70 7.963 -8.344 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 70 6.668 -10.495 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.765 -11.122 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.655 -9.358 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.203 -10.193 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.931 -12.611 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.384 -11.789 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.953 -11.968 0.429 1.00 0.00 H new ATOM 1131 N MET A 71 6.574 -8.495 1.287 1.00 0.00 N ATOM 1132 CA MET A 71 5.762 -8.481 2.468 1.00 0.00 C ATOM 1133 C MET A 71 4.315 -8.573 2.052 1.00 0.00 C ATOM 1134 O MET A 71 3.849 -7.789 1.211 1.00 0.00 O ATOM 1135 CB MET A 71 6.003 -7.255 3.386 1.00 0.00 C ATOM 1136 CG MET A 71 5.769 -5.887 2.754 1.00 0.00 C ATOM 1137 SD MET A 71 5.752 -4.534 3.971 1.00 0.00 S ATOM 1138 CE MET A 71 7.331 -4.770 4.782 1.00 0.00 C ATOM 0 H MET A 71 6.312 -7.795 0.593 1.00 0.00 H new ATOM 0 HA MET A 71 6.046 -9.341 3.075 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.354 -7.346 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.030 -7.294 3.748 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.549 -5.695 2.017 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.820 -5.898 2.218 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.775 -3.799 5.003 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.184 -5.322 5.710 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.996 -5.332 4.127 1.00 0.00 H new ATOM 1148 N ILE A 72 3.635 -9.556 2.577 1.00 0.00 N ATOM 1149 CA ILE A 72 2.242 -9.791 2.283 1.00 0.00 C ATOM 1150 C ILE A 72 1.452 -9.557 3.558 1.00 0.00 C ATOM 1151 O ILE A 72 1.433 -10.415 4.436 1.00 0.00 O ATOM 1152 CB ILE A 72 1.984 -11.259 1.837 1.00 0.00 C ATOM 1153 CG1 ILE A 72 2.999 -11.701 0.774 1.00 0.00 C ATOM 1154 CG2 ILE A 72 0.559 -11.391 1.298 1.00 0.00 C ATOM 1155 CD1 ILE A 72 2.859 -13.151 0.337 1.00 0.00 C ATOM 0 H ILE A 72 4.037 -10.228 3.231 1.00 0.00 H new ATOM 0 HA ILE A 72 1.944 -9.122 1.475 1.00 0.00 H new ATOM 0 HB ILE A 72 2.104 -11.909 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.894 -11.059 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.005 -11.547 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.382 -12.420 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.152 -11.121 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.430 -10.726 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.614 -13.379 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.995 -13.805 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.867 -13.309 -0.086 1.00 0.00 H new ATOM 1167 N PRO A 73 0.882 -8.380 3.735 1.00 0.00 N ATOM 1168 CA PRO A 73 0.098 -8.086 4.900 1.00 0.00 C ATOM 1169 C PRO A 73 -1.397 -8.373 4.706 1.00 0.00 C ATOM 1170 O PRO A 73 -1.930 -8.289 3.576 1.00 0.00 O ATOM 1171 CB PRO A 73 0.339 -6.593 5.088 1.00 0.00 C ATOM 1172 CG PRO A 73 0.543 -6.054 3.703 1.00 0.00 C ATOM 1173 CD PRO A 73 0.978 -7.216 2.837 1.00 0.00 C ATOM 0 HA PRO A 73 0.380 -8.702 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.510 -6.115 5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.212 -6.410 5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.377 -5.612 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.298 -5.268 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.333 -7.329 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.994 -7.080 2.466 1.00 0.00 H new ATOM 1181 N TYR A 74 -2.046 -8.750 5.812 1.00 0.00 N ATOM 1182 CA TYR A 74 -3.455 -9.008 5.894 1.00 0.00 C ATOM 1183 C TYR A 74 -3.789 -10.332 5.269 1.00 0.00 C ATOM 1184 O TYR A 74 -2.990 -11.241 5.269 1.00 0.00 O ATOM 1185 CB TYR A 74 -4.308 -7.862 5.318 1.00 0.00 C ATOM 1186 CG TYR A 74 -4.110 -6.551 6.020 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -4.562 -6.364 7.315 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -3.490 -5.495 5.380 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -4.400 -5.158 7.953 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -3.319 -4.290 6.012 1.00 0.00 C ATOM 1191 CZ TYR A 74 -3.777 -4.126 7.296 1.00 0.00 C ATOM 1192 OH TYR A 74 -3.625 -2.919 7.919 1.00 0.00 O ATOM 0 H TYR A 74 -1.568 -8.884 6.703 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.712 -9.061 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.069 -7.738 4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.360 -8.140 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.049 -7.178 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.135 -5.620 4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.760 -5.023 8.962 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.827 -3.475 5.503 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.821 -2.474 7.579 1.00 0.00 H new ATOM 1202 N THR A 75 -4.982 -10.486 4.844 1.00 0.00 N ATOM 1203 CA THR A 75 -5.373 -11.701 4.266 1.00 0.00 C ATOM 1204 C THR A 75 -6.382 -11.431 3.153 1.00 0.00 C ATOM 1205 O THR A 75 -6.046 -11.442 1.979 1.00 0.00 O ATOM 1206 CB THR A 75 -6.009 -12.578 5.326 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.054 -12.853 6.339 1.00 0.00 O ATOM 1208 CG2 THR A 75 -6.574 -13.875 4.776 1.00 0.00 C ATOM 0 H THR A 75 -5.711 -9.774 4.888 1.00 0.00 H new ATOM 0 HA THR A 75 -4.502 -12.207 3.850 1.00 0.00 H new ATOM 0 HB THR A 75 -6.855 -12.026 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.994 -12.088 6.948 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.014 -14.454 5.588 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.340 -13.652 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.775 -14.452 4.311 1.00 0.00 H new ATOM 1216 N LYS A 76 -7.611 -11.120 3.553 1.00 0.00 N ATOM 1217 CA LYS A 76 -8.668 -10.828 2.614 1.00 0.00 C ATOM 1218 C LYS A 76 -9.331 -9.534 2.994 1.00 0.00 C ATOM 1219 O LYS A 76 -10.188 -9.503 3.868 1.00 0.00 O ATOM 1220 CB LYS A 76 -9.703 -11.965 2.544 1.00 0.00 C ATOM 1221 CG LYS A 76 -9.210 -13.245 1.877 1.00 0.00 C ATOM 1222 CD LYS A 76 -8.876 -13.003 0.420 1.00 0.00 C ATOM 1223 CE LYS A 76 -8.391 -14.265 -0.258 1.00 0.00 C ATOM 1224 NZ LYS A 76 -8.105 -14.032 -1.686 1.00 0.00 N ATOM 0 H LYS A 76 -7.893 -11.066 4.532 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.227 -10.736 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.028 -12.203 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.579 -11.606 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.328 -13.615 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.975 -14.018 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.758 -12.627 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.109 -12.232 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.491 -14.625 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.145 -15.046 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.774 -14.916 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.970 -13.711 -2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.368 -13.304 -1.778 1.00 0.00 H new ATOM 1238 N PRO A 77 -8.843 -8.426 2.455 1.00 0.00 N ATOM 1239 CA PRO A 77 -9.416 -7.126 2.696 1.00 0.00 C ATOM 1240 C PRO A 77 -10.565 -6.847 1.720 1.00 0.00 C ATOM 1241 O PRO A 77 -10.979 -7.732 0.973 1.00 0.00 O ATOM 1242 CB PRO A 77 -8.233 -6.172 2.434 1.00 0.00 C ATOM 1243 CG PRO A 77 -7.062 -7.072 2.163 1.00 0.00 C ATOM 1244 CD PRO A 77 -7.656 -8.319 1.617 1.00 0.00 C ATOM 0 HA PRO A 77 -9.842 -7.022 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.433 -5.518 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.046 -5.529 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.372 -6.619 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.497 -7.270 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.900 -8.235 0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.993 -9.177 1.724 1.00 0.00 H new ATOM 1252 N CYS A 78 -11.059 -5.630 1.706 1.00 0.00 N ATOM 1253 CA CYS A 78 -12.163 -5.294 0.835 1.00 0.00 C ATOM 1254 C CYS A 78 -11.659 -5.008 -0.582 1.00 0.00 C ATOM 1255 O CYS A 78 -12.307 -5.335 -1.570 1.00 0.00 O ATOM 1256 CB CYS A 78 -12.924 -4.086 1.394 1.00 0.00 C ATOM 1257 SG CYS A 78 -14.453 -3.674 0.526 1.00 0.00 S ATOM 0 H CYS A 78 -10.717 -4.861 2.283 1.00 0.00 H new ATOM 0 HA CYS A 78 -12.845 -6.143 0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -13.159 -4.277 2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -12.265 -3.218 1.369 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.006 -2.641 1.089 1.00 0.00 H new ATOM 1263 N TYR A 79 -10.488 -4.431 -0.675 1.00 0.00 N ATOM 1264 CA TYR A 79 -9.940 -4.073 -1.965 1.00 0.00 C ATOM 1265 C TYR A 79 -9.121 -5.227 -2.553 1.00 0.00 C ATOM 1266 O TYR A 79 -9.532 -5.859 -3.537 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.112 -2.802 -1.826 1.00 0.00 C ATOM 1268 CG TYR A 79 -8.613 -2.198 -3.119 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.481 -1.521 -3.959 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -7.272 -2.267 -3.478 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.037 -0.929 -5.115 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -6.820 -1.682 -4.642 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.711 -1.011 -5.456 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.275 -0.403 -6.605 1.00 0.00 O ATOM 0 H TYR A 79 -9.895 -4.198 0.122 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.754 -3.879 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.712 -2.055 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.252 -3.018 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.527 -1.458 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.575 -2.786 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.729 -0.401 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.777 -1.748 -4.915 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.851 0.364 -6.808 1.00 0.00 H new ATOM 1284 N GLY A 80 -7.996 -5.517 -1.940 1.00 0.00 N ATOM 1285 CA GLY A 80 -7.149 -6.578 -2.398 1.00 0.00 C ATOM 1286 C GLY A 80 -5.981 -6.733 -1.482 1.00 0.00 C ATOM 1287 O GLY A 80 -5.762 -5.868 -0.615 1.00 0.00 O ATOM 0 H GLY A 80 -7.650 -5.024 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.712 -7.510 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.802 -6.366 -3.409 1.00 0.00 H new ATOM 1291 N THR A 81 -5.237 -7.780 -1.654 1.00 0.00 N ATOM 1292 CA THR A 81 -4.118 -8.070 -0.822 1.00 0.00 C ATOM 1293 C THR A 81 -2.849 -7.586 -1.554 1.00 0.00 C ATOM 1294 O THR A 81 -2.822 -7.530 -2.796 1.00 0.00 O ATOM 1295 CB THR A 81 -4.076 -9.590 -0.557 1.00 0.00 C ATOM 1296 OG1 THR A 81 -5.417 -10.043 -0.257 1.00 0.00 O ATOM 1297 CG2 THR A 81 -3.169 -9.919 0.625 1.00 0.00 C ATOM 0 H THR A 81 -5.395 -8.468 -2.390 1.00 0.00 H new ATOM 0 HA THR A 81 -4.187 -7.563 0.140 1.00 0.00 H new ATOM 0 HB THR A 81 -3.683 -10.089 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.398 -10.620 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.160 -10.997 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.157 -9.575 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.542 -9.421 1.520 1.00 0.00 H new ATOM 1305 N ALA A 82 -1.822 -7.240 -0.824 1.00 0.00 N ATOM 1306 CA ALA A 82 -0.630 -6.702 -1.433 1.00 0.00 C ATOM 1307 C ALA A 82 0.594 -7.514 -1.114 1.00 0.00 C ATOM 1308 O ALA A 82 0.656 -8.174 -0.091 1.00 0.00 O ATOM 1309 CB ALA A 82 -0.418 -5.284 -0.936 1.00 0.00 C ATOM 0 H ALA A 82 -1.785 -7.320 0.192 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.773 -6.726 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.481 -4.869 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.278 -4.671 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.305 -5.291 0.148 1.00 0.00 H new ATOM 1315 N VAL A 83 1.525 -7.511 -2.029 1.00 0.00 N ATOM 1316 CA VAL A 83 2.808 -8.146 -1.860 1.00 0.00 C ATOM 1317 C VAL A 83 3.793 -7.115 -2.363 1.00 0.00 C ATOM 1318 O VAL A 83 3.948 -6.935 -3.546 1.00 0.00 O ATOM 1319 CB VAL A 83 2.973 -9.453 -2.696 1.00 0.00 C ATOM 1320 CG1 VAL A 83 4.271 -10.166 -2.358 1.00 0.00 C ATOM 1321 CG2 VAL A 83 1.785 -10.384 -2.550 1.00 0.00 C ATOM 0 H VAL A 83 1.412 -7.057 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 83 2.948 -8.446 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 83 3.015 -9.152 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.355 -11.072 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.114 -9.509 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.277 -10.429 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.948 -11.279 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.670 -10.666 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.882 -9.878 -2.891 1.00 0.00 H new ATOM 1331 N VAL A 84 4.390 -6.383 -1.506 1.00 0.00 N ATOM 1332 CA VAL A 84 5.269 -5.347 -1.978 1.00 0.00 C ATOM 1333 C VAL A 84 6.716 -5.637 -1.606 1.00 0.00 C ATOM 1334 O VAL A 84 6.990 -6.111 -0.500 1.00 0.00 O ATOM 1335 CB VAL A 84 4.778 -3.924 -1.516 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.350 -3.690 -1.986 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.877 -3.741 -0.006 1.00 0.00 C ATOM 0 H VAL A 84 4.301 -6.464 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 84 5.234 -5.338 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 84 5.437 -3.185 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.018 -2.704 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.311 -3.747 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.697 -4.451 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.527 -2.744 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.261 -4.489 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.914 -3.858 0.307 1.00 0.00 H new ATOM 1347 N GLU A 85 7.623 -5.434 -2.557 1.00 0.00 N ATOM 1348 CA GLU A 85 9.039 -5.687 -2.338 1.00 0.00 C ATOM 1349 C GLU A 85 9.864 -4.554 -2.901 1.00 0.00 C ATOM 1350 O GLU A 85 9.733 -4.194 -4.079 1.00 0.00 O ATOM 1351 CB GLU A 85 9.476 -7.008 -2.981 1.00 0.00 C ATOM 1352 CG GLU A 85 10.954 -7.320 -2.788 1.00 0.00 C ATOM 1353 CD GLU A 85 11.367 -8.660 -3.336 1.00 0.00 C ATOM 1354 OE1 GLU A 85 11.650 -8.757 -4.546 1.00 0.00 O ATOM 1355 OE2 GLU A 85 11.438 -9.641 -2.565 1.00 0.00 O ATOM 0 H GLU A 85 7.398 -5.093 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 85 9.201 -5.758 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.884 -7.821 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.257 -6.973 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.546 -6.542 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.188 -7.285 -1.724 1.00 0.00 H new ATOM 1362 N LEU A 86 10.687 -3.976 -2.081 1.00 0.00 N ATOM 1363 CA LEU A 86 11.517 -2.884 -2.502 1.00 0.00 C ATOM 1364 C LEU A 86 12.941 -3.399 -2.764 1.00 0.00 C ATOM 1365 O LEU A 86 13.534 -4.015 -1.905 1.00 0.00 O ATOM 1366 CB LEU A 86 11.535 -1.819 -1.400 1.00 0.00 C ATOM 1367 CG LEU A 86 12.240 -0.501 -1.716 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.457 0.335 -2.713 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.543 0.277 -0.451 1.00 0.00 C ATOM 0 H LEU A 86 10.804 -4.245 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 86 11.125 -2.446 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.503 -1.594 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.008 -2.252 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 86 13.192 -0.747 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.993 1.263 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.341 -0.222 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.474 0.564 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.045 1.210 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.613 0.498 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.190 -0.316 0.195 1.00 0.00 H new ATOM 1381 N PRO A 87 13.510 -3.157 -3.952 1.00 0.00 N ATOM 1382 CA PRO A 87 14.888 -3.575 -4.270 1.00 0.00 C ATOM 1383 C PRO A 87 15.909 -2.558 -3.740 1.00 0.00 C ATOM 1384 O PRO A 87 17.080 -2.572 -4.102 1.00 0.00 O ATOM 1385 CB PRO A 87 14.889 -3.594 -5.793 1.00 0.00 C ATOM 1386 CG PRO A 87 13.939 -2.519 -6.168 1.00 0.00 C ATOM 1387 CD PRO A 87 12.872 -2.501 -5.100 1.00 0.00 C ATOM 0 HA PRO A 87 15.163 -4.529 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.885 -3.404 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.569 -4.562 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.446 -1.556 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.504 -2.710 -7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.565 -1.483 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.978 -3.036 -5.420 1.00 0.00 H new ATOM 1395 N VAL A 88 15.426 -1.688 -2.893 1.00 0.00 N ATOM 1396 CA VAL A 88 16.214 -0.679 -2.259 1.00 0.00 C ATOM 1397 C VAL A 88 16.224 -1.032 -0.794 1.00 0.00 C ATOM 1398 O VAL A 88 15.278 -1.654 -0.303 1.00 0.00 O ATOM 1399 CB VAL A 88 15.593 0.742 -2.408 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.555 1.821 -1.929 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.128 1.022 -3.825 1.00 0.00 C ATOM 0 H VAL A 88 14.443 -1.666 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 88 17.204 -0.649 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 88 14.710 0.765 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.091 2.800 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.793 1.656 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.471 1.780 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.703 2.024 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.976 0.951 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.371 0.292 -4.110 1.00 0.00 H new ATOM 1411 N ASP A 89 17.260 -0.650 -0.125 1.00 0.00 N ATOM 1412 CA ASP A 89 17.467 -0.930 1.288 1.00 0.00 C ATOM 1413 C ASP A 89 16.366 -0.288 2.153 1.00 0.00 C ATOM 1414 O ASP A 89 15.774 0.717 1.752 1.00 0.00 O ATOM 1415 CB ASP A 89 18.841 -0.397 1.689 1.00 0.00 C ATOM 1416 CG ASP A 89 19.940 -0.978 0.857 1.00 0.00 C ATOM 1417 OD1 ASP A 89 20.291 -2.140 1.058 1.00 0.00 O ATOM 1418 OD2 ASP A 89 20.450 -0.282 -0.038 1.00 0.00 O ATOM 0 H ASP A 89 18.021 -0.116 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 89 17.419 -2.006 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.850 0.689 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.024 -0.624 2.739 1.00 0.00 H new ATOM 1423 N PRO A 90 16.089 -0.843 3.372 1.00 0.00 N ATOM 1424 CA PRO A 90 15.040 -0.330 4.294 1.00 0.00 C ATOM 1425 C PRO A 90 15.234 1.141 4.677 1.00 0.00 C ATOM 1426 O PRO A 90 14.304 1.800 5.111 1.00 0.00 O ATOM 1427 CB PRO A 90 15.161 -1.232 5.535 1.00 0.00 C ATOM 1428 CG PRO A 90 16.500 -1.873 5.415 1.00 0.00 C ATOM 1429 CD PRO A 90 16.753 -2.025 3.946 1.00 0.00 C ATOM 0 HA PRO A 90 14.058 -0.361 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 90 15.082 -0.652 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.367 -1.978 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 90 17.270 -1.259 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 90 16.516 -2.841 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 90 17.819 -2.039 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 90 16.332 -2.953 3.558 1.00 0.00 H new ATOM 1437 N GLU A 91 16.435 1.652 4.454 1.00 0.00 N ATOM 1438 CA GLU A 91 16.781 3.053 4.718 1.00 0.00 C ATOM 1439 C GLU A 91 15.959 4.007 3.831 1.00 0.00 C ATOM 1440 O GLU A 91 15.864 5.203 4.099 1.00 0.00 O ATOM 1441 CB GLU A 91 18.264 3.270 4.467 1.00 0.00 C ATOM 1442 CG GLU A 91 18.683 2.897 3.068 1.00 0.00 C ATOM 1443 CD GLU A 91 20.125 3.158 2.798 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.953 2.283 3.070 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.452 4.245 2.280 1.00 0.00 O ATOM 0 H GLU A 91 17.210 1.105 4.080 1.00 0.00 H new ATOM 0 HA GLU A 91 16.547 3.271 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.508 4.317 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.838 2.681 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.475 1.840 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.079 3.456 2.353 1.00 0.00 H new ATOM 1452 N GLU A 92 15.366 3.461 2.777 1.00 0.00 N ATOM 1453 CA GLU A 92 14.524 4.220 1.869 1.00 0.00 C ATOM 1454 C GLU A 92 13.218 4.594 2.595 1.00 0.00 C ATOM 1455 O GLU A 92 12.524 5.549 2.232 1.00 0.00 O ATOM 1456 CB GLU A 92 14.229 3.365 0.632 1.00 0.00 C ATOM 1457 CG GLU A 92 13.571 4.098 -0.524 1.00 0.00 C ATOM 1458 CD GLU A 92 14.440 5.202 -1.068 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.412 4.914 -1.820 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.170 6.377 -0.785 1.00 0.00 O ATOM 0 H GLU A 92 15.457 2.476 2.529 1.00 0.00 H new ATOM 0 HA GLU A 92 15.027 5.134 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.165 2.931 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.585 2.537 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.347 3.389 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.621 4.516 -0.193 1.00 0.00 H new ATOM 1467 N ILE A 93 12.921 3.860 3.666 1.00 0.00 N ATOM 1468 CA ILE A 93 11.735 4.101 4.458 1.00 0.00 C ATOM 1469 C ILE A 93 11.807 5.435 5.162 1.00 0.00 C ATOM 1470 O ILE A 93 10.802 6.063 5.360 1.00 0.00 O ATOM 1471 CB ILE A 93 11.413 2.923 5.440 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.961 1.696 4.644 1.00 0.00 C ATOM 1473 CG2 ILE A 93 10.360 3.291 6.495 1.00 0.00 C ATOM 1474 CD1 ILE A 93 9.715 1.943 3.802 1.00 0.00 C ATOM 0 H ILE A 93 13.497 3.088 4.001 1.00 0.00 H new ATOM 0 HA ILE A 93 10.894 4.145 3.766 1.00 0.00 H new ATOM 0 HB ILE A 93 12.331 2.698 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.773 1.377 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.766 0.876 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.181 2.434 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.720 4.129 7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.431 3.571 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.452 1.032 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.889 2.233 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.912 2.741 3.087 1.00 0.00 H new ATOM 1486 N GLU A 94 13.008 5.900 5.464 1.00 0.00 N ATOM 1487 CA GLU A 94 13.175 7.202 6.103 1.00 0.00 C ATOM 1488 C GLU A 94 12.582 8.293 5.214 1.00 0.00 C ATOM 1489 O GLU A 94 11.867 9.189 5.684 1.00 0.00 O ATOM 1490 CB GLU A 94 14.633 7.479 6.365 1.00 0.00 C ATOM 1491 CG GLU A 94 15.304 6.430 7.205 1.00 0.00 C ATOM 1492 CD GLU A 94 16.678 6.839 7.573 1.00 0.00 C ATOM 1493 OE1 GLU A 94 16.831 7.533 8.588 1.00 0.00 O ATOM 1494 OE2 GLU A 94 17.633 6.510 6.847 1.00 0.00 O ATOM 0 H GLU A 94 13.879 5.402 5.280 1.00 0.00 H new ATOM 0 HA GLU A 94 12.650 7.195 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.156 7.558 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.727 8.445 6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.720 6.255 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.336 5.488 6.658 1.00 0.00 H new ATOM 1501 N ARG A 95 12.853 8.170 3.934 1.00 0.00 N ATOM 1502 CA ARG A 95 12.335 9.060 2.917 1.00 0.00 C ATOM 1503 C ARG A 95 10.821 8.948 2.863 1.00 0.00 C ATOM 1504 O ARG A 95 10.096 9.939 2.944 1.00 0.00 O ATOM 1505 CB ARG A 95 12.979 8.687 1.557 1.00 0.00 C ATOM 1506 CG ARG A 95 12.256 9.164 0.290 1.00 0.00 C ATOM 1507 CD ARG A 95 11.911 10.625 0.350 1.00 0.00 C ATOM 1508 NE ARG A 95 13.092 11.468 0.565 1.00 0.00 N ATOM 1509 CZ ARG A 95 13.072 12.678 1.134 1.00 0.00 C ATOM 1510 NH1 ARG A 95 11.918 13.262 1.402 1.00 0.00 N ATOM 1511 NH2 ARG A 95 14.216 13.302 1.399 1.00 0.00 N ATOM 0 H ARG A 95 13.452 7.433 3.562 1.00 0.00 H new ATOM 0 HA ARG A 95 12.584 10.095 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.992 9.089 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.065 7.601 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.887 8.977 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.344 8.582 0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.422 10.919 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.195 10.794 1.155 1.00 0.00 H new ATOM 0 HE ARG A 95 13.994 11.105 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.043 12.790 1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.902 14.185 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.105 12.858 1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.205 14.225 1.833 1.00 0.00 H new ATOM 1525 N ILE A 96 10.369 7.743 2.782 1.00 0.00 N ATOM 1526 CA ILE A 96 8.973 7.435 2.673 1.00 0.00 C ATOM 1527 C ILE A 96 8.206 7.785 3.989 1.00 0.00 C ATOM 1528 O ILE A 96 7.011 8.002 3.980 1.00 0.00 O ATOM 1529 CB ILE A 96 8.848 5.954 2.257 1.00 0.00 C ATOM 1530 CG1 ILE A 96 9.371 5.759 0.817 1.00 0.00 C ATOM 1531 CG2 ILE A 96 7.440 5.388 2.419 1.00 0.00 C ATOM 1532 CD1 ILE A 96 9.380 4.317 0.337 1.00 0.00 C ATOM 0 H ILE A 96 10.971 6.920 2.789 1.00 0.00 H new ATOM 0 HA ILE A 96 8.499 8.050 1.908 1.00 0.00 H new ATOM 0 HB ILE A 96 9.470 5.382 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.757 6.350 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.385 6.155 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.430 4.344 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.138 5.458 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.746 5.958 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.762 4.275 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.019 3.721 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.365 3.919 0.361 1.00 0.00 H new ATOM 1544 N LEU A 97 8.933 7.899 5.090 1.00 0.00 N ATOM 1545 CA LEU A 97 8.371 8.271 6.388 1.00 0.00 C ATOM 1546 C LEU A 97 7.962 9.745 6.378 1.00 0.00 C ATOM 1547 O LEU A 97 7.036 10.156 7.073 1.00 0.00 O ATOM 1548 CB LEU A 97 9.392 8.004 7.510 1.00 0.00 C ATOM 1549 CG LEU A 97 8.937 8.293 8.948 1.00 0.00 C ATOM 1550 CD1 LEU A 97 7.778 7.391 9.350 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.101 8.134 9.913 1.00 0.00 C ATOM 0 H LEU A 97 9.940 7.735 5.112 1.00 0.00 H new ATOM 0 HA LEU A 97 7.486 7.663 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.692 6.958 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.281 8.602 7.309 1.00 0.00 H new ATOM 0 HG LEU A 97 8.587 9.324 8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.478 7.619 10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.936 7.559 8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.090 6.348 9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.763 8.342 10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.482 7.114 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.894 8.832 9.644 1.00 0.00 H new ATOM 1563 N GLU A 98 8.645 10.534 5.576 1.00 0.00 N ATOM 1564 CA GLU A 98 8.316 11.948 5.434 1.00 0.00 C ATOM 1565 C GLU A 98 7.048 12.048 4.582 1.00 0.00 C ATOM 1566 O GLU A 98 6.176 12.904 4.783 1.00 0.00 O ATOM 1567 CB GLU A 98 9.460 12.657 4.727 1.00 0.00 C ATOM 1568 CG GLU A 98 9.354 14.174 4.725 1.00 0.00 C ATOM 1569 CD GLU A 98 10.481 14.827 3.976 1.00 0.00 C ATOM 1570 OE1 GLU A 98 11.525 15.135 4.579 1.00 0.00 O ATOM 1571 OE2 GLU A 98 10.347 15.040 2.767 1.00 0.00 O ATOM 0 H GLU A 98 9.434 10.225 5.009 1.00 0.00 H new ATOM 0 HA GLU A 98 8.158 12.410 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.398 12.371 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.506 12.307 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.405 14.468 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.347 14.536 5.753 1.00 0.00 H new ATOM 1578 N VAL A 99 6.953 11.097 3.687 1.00 0.00 N ATOM 1579 CA VAL A 99 5.885 10.947 2.716 1.00 0.00 C ATOM 1580 C VAL A 99 4.676 10.213 3.358 1.00 0.00 C ATOM 1581 O VAL A 99 3.628 10.054 2.747 1.00 0.00 O ATOM 1582 CB VAL A 99 6.452 10.125 1.508 1.00 0.00 C ATOM 1583 CG1 VAL A 99 5.427 9.852 0.427 1.00 0.00 C ATOM 1584 CG2 VAL A 99 7.644 10.829 0.904 1.00 0.00 C ATOM 0 H VAL A 99 7.656 10.362 3.608 1.00 0.00 H new ATOM 0 HA VAL A 99 5.537 11.922 2.376 1.00 0.00 H new ATOM 0 HB VAL A 99 6.749 9.159 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.890 9.279 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.598 9.283 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.055 10.797 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.026 10.245 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.344 11.816 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.424 10.935 1.658 1.00 0.00 H new ATOM 1594 N ALA A 100 4.846 9.804 4.622 1.00 0.00 N ATOM 1595 CA ALA A 100 3.828 9.069 5.371 1.00 0.00 C ATOM 1596 C ALA A 100 2.500 9.775 5.384 1.00 0.00 C ATOM 1597 O ALA A 100 1.450 9.141 5.344 1.00 0.00 O ATOM 1598 CB ALA A 100 4.281 8.813 6.790 1.00 0.00 C ATOM 0 H ALA A 100 5.699 9.976 5.153 1.00 0.00 H new ATOM 0 HA ALA A 100 3.694 8.118 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.506 8.265 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.199 8.226 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.465 9.764 7.290 1.00 0.00 H new ATOM 1604 N GLU A 101 2.550 11.065 5.424 1.00 0.00 N ATOM 1605 CA GLU A 101 1.371 11.834 5.440 1.00 0.00 C ATOM 1606 C GLU A 101 1.660 13.176 4.737 1.00 0.00 C ATOM 1607 O GLU A 101 2.232 14.082 5.358 1.00 0.00 O ATOM 1608 CB GLU A 101 0.932 12.074 6.888 1.00 0.00 C ATOM 1609 CG GLU A 101 -0.407 12.756 7.037 1.00 0.00 C ATOM 1610 CD GLU A 101 -0.692 13.127 8.461 1.00 0.00 C ATOM 1611 OE1 GLU A 101 -0.866 12.241 9.302 1.00 0.00 O ATOM 1612 OE2 GLU A 101 -0.746 14.328 8.772 1.00 0.00 O ATOM 0 H GLU A 101 3.414 11.607 5.446 1.00 0.00 H new ATOM 0 HA GLU A 101 0.568 11.311 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.896 11.116 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.690 12.678 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.428 13.653 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.193 12.096 6.670 1.00 0.00 H new ATOM 1619 N PRO A 102 1.384 13.286 3.434 1.00 0.00 N ATOM 1620 CA PRO A 102 1.582 14.510 2.679 1.00 0.00 C ATOM 1621 C PRO A 102 0.294 15.325 2.540 1.00 0.00 C ATOM 1622 O PRO A 102 0.120 16.301 3.299 1.00 0.00 O ATOM 1623 CB PRO A 102 2.050 14.006 1.314 1.00 0.00 C ATOM 1624 CG PRO A 102 1.615 12.571 1.244 1.00 0.00 C ATOM 1625 CD PRO A 102 0.930 12.222 2.553 1.00 0.00 C ATOM 1626 OXT PRO A 102 -0.568 14.994 1.690 1.00 0.00 O ATOM 0 HA PRO A 102 2.288 15.183 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.607 14.590 0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.132 14.093 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.934 12.420 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.474 11.920 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.155 12.212 2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.226 11.238 2.917 1.00 0.00 H new