USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= -0.497 K(o=-0.18,f=-1) USER MOD Set 1.2: B 116 THR OG1 : rot 110:sc= 0.314 USER MOD Set 2.1: A 26 SER OG : rot 143:sc= -1.48 USER MOD Set 2.2: A 41 HIS : no HE2:sc= -0.162 X(o=-1.6,f=-1.5) USER MOD Set 3.1: A 16 SER OG : rot -81:sc= 0.758 USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0.67 USER MOD Single : A 9 LYS NZ :NH3+ -151:sc= -0.135 (180deg=-0.701) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.888 (180deg=0.498) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -55:sc= -5.42! USER MOD Single : A 28 SER OG : rot 180:sc= -0.223 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00129 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -120:sc=-0.00353 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 81:sc= 0.845 USER MOD Single : A 48 SER OG : rot 90:sc= -0.805 USER MOD Single : A 58 GLN : amide:sc= -2.1 K(o=-2.1,f=-11!) USER MOD Single : A 63 ASN : amide:sc= -0.299 K(o=-0.3,f=0.71) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00263 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -1.29 (180deg=-1.65) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -144:sc= 0.998 USER MOD Single : A 99 MET CE :methyl 162:sc= -0.157 (180deg=-0.849) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.014 USER MOD Single : B 111 THR OG1 : rot -19:sc= 0.704 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.291 -5.082 -14.149 1.00 0.00 N ATOM 2 CA LYS A 9 -4.511 -3.642 -14.448 1.00 0.00 C ATOM 3 C LYS A 9 -3.584 -2.758 -13.622 1.00 0.00 C ATOM 4 O LYS A 9 -3.990 -2.197 -12.604 1.00 0.00 O ATOM 5 CB LYS A 9 -5.971 -3.298 -14.151 1.00 0.00 C ATOM 6 CG LYS A 9 -6.912 -3.581 -15.312 1.00 0.00 C ATOM 7 CD LYS A 9 -7.666 -4.887 -15.116 1.00 0.00 C ATOM 8 CE LYS A 9 -9.113 -4.769 -15.568 1.00 0.00 C ATOM 9 NZ LYS A 9 -9.860 -3.749 -14.780 1.00 0.00 N ATOM 0 HA LYS A 9 -4.288 -3.459 -15.499 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.300 -3.867 -13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.040 -2.243 -13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.623 -2.761 -15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.342 -3.625 -16.240 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.172 -5.681 -15.677 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.634 -5.172 -14.064 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.143 -4.504 -16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.605 -5.737 -15.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.866 -4.010 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.475 -3.705 -13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.762 -2.819 -15.235 1.00 0.00 H new ATOM 25 N GLU A 10 -2.337 -2.637 -14.065 1.00 0.00 N ATOM 26 CA GLU A 10 -1.352 -1.819 -13.366 1.00 0.00 C ATOM 27 C GLU A 10 -1.675 -0.335 -13.517 1.00 0.00 C ATOM 28 O GLU A 10 -1.759 0.181 -14.632 1.00 0.00 O ATOM 29 CB GLU A 10 0.052 -2.105 -13.902 1.00 0.00 C ATOM 30 CG GLU A 10 1.144 -1.315 -13.199 1.00 0.00 C ATOM 31 CD GLU A 10 2.328 -1.028 -14.104 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.135 -0.978 -15.337 1.00 0.00 O ATOM 33 OE2 GLU A 10 3.447 -0.852 -13.578 1.00 0.00 O ATOM 0 H GLU A 10 -1.984 -3.095 -14.905 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.387 -2.075 -12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.261 -3.170 -13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.079 -1.877 -14.968 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.731 -0.374 -12.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.485 -1.871 -12.325 1.00 0.00 H new ATOM 40 N LYS A 11 -1.860 0.345 -12.390 1.00 0.00 N ATOM 41 CA LYS A 11 -2.177 1.769 -12.400 1.00 0.00 C ATOM 42 C LYS A 11 -0.970 2.603 -11.972 1.00 0.00 C ATOM 43 O LYS A 11 -0.169 2.179 -11.139 1.00 0.00 O ATOM 44 CB LYS A 11 -3.370 2.053 -11.479 1.00 0.00 C ATOM 45 CG LYS A 11 -3.651 3.533 -11.272 1.00 0.00 C ATOM 46 CD LYS A 11 -5.086 3.770 -10.832 1.00 0.00 C ATOM 47 CE LYS A 11 -5.202 3.831 -9.317 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.282 5.231 -8.822 1.00 0.00 N ATOM 0 H LYS A 11 -1.796 -0.067 -11.459 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.440 2.051 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.259 1.579 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.187 1.589 -10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.968 3.933 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.459 4.074 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.451 4.702 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.722 2.971 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.088 3.282 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.342 3.336 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.752 5.245 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.323 5.622 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.827 5.807 -9.495 1.00 0.00 H new ATOM 62 N LYS A 12 -0.852 3.795 -12.549 1.00 0.00 N ATOM 63 CA LYS A 12 0.251 4.694 -12.228 1.00 0.00 C ATOM 64 C LYS A 12 -0.183 5.736 -11.203 1.00 0.00 C ATOM 65 O LYS A 12 -1.351 6.124 -11.153 1.00 0.00 O ATOM 66 CB LYS A 12 0.761 5.383 -13.495 1.00 0.00 C ATOM 67 CG LYS A 12 2.000 4.729 -14.086 1.00 0.00 C ATOM 68 CD LYS A 12 2.815 5.721 -14.900 1.00 0.00 C ATOM 69 CE LYS A 12 4.239 5.233 -15.110 1.00 0.00 C ATOM 70 NZ LYS A 12 4.795 5.683 -16.416 1.00 0.00 N ATOM 0 H LYS A 12 -1.506 4.160 -13.241 1.00 0.00 H new ATOM 0 HA LYS A 12 1.059 4.103 -11.798 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.032 5.383 -14.243 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.984 6.425 -13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.616 4.321 -13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.705 3.892 -14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.337 5.879 -15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.831 6.685 -14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.871 5.600 -14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.260 4.144 -15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.767 5.329 -16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.207 5.312 -17.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.799 6.722 -16.452 1.00 0.00 H new ATOM 84 N VAL A 13 0.763 6.185 -10.385 1.00 0.00 N ATOM 85 CA VAL A 13 0.476 7.181 -9.359 1.00 0.00 C ATOM 86 C VAL A 13 1.721 7.998 -9.025 1.00 0.00 C ATOM 87 O VAL A 13 2.828 7.464 -8.970 1.00 0.00 O ATOM 88 CB VAL A 13 -0.061 6.517 -8.075 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.370 7.560 -7.010 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.295 5.683 -8.387 1.00 0.00 C ATOM 0 H VAL A 13 1.734 5.875 -10.412 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.289 7.847 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 13 0.713 5.857 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.747 7.065 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.539 8.110 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.123 8.252 -7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.663 5.221 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.071 6.324 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.037 4.907 -9.107 1.00 0.00 H new ATOM 100 N PHE A 14 1.529 9.295 -8.807 1.00 0.00 N ATOM 101 CA PHE A 14 2.637 10.187 -8.479 1.00 0.00 C ATOM 102 C PHE A 14 2.323 11.010 -7.234 1.00 0.00 C ATOM 103 O PHE A 14 1.315 11.714 -7.181 1.00 0.00 O ATOM 104 CB PHE A 14 2.935 11.114 -9.658 1.00 0.00 C ATOM 105 CG PHE A 14 1.765 11.965 -10.060 1.00 0.00 C ATOM 106 CD1 PHE A 14 0.770 11.454 -10.879 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.659 13.274 -9.618 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.308 12.235 -11.250 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.583 14.059 -9.987 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.402 13.539 -10.803 1.00 0.00 C ATOM 0 H PHE A 14 0.618 9.752 -8.851 1.00 0.00 H new ATOM 0 HA PHE A 14 3.516 9.576 -8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.773 11.761 -9.399 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.248 10.514 -10.512 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.838 10.435 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.426 13.685 -8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.077 11.826 -11.889 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.513 15.078 -9.637 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.244 14.150 -11.091 1.00 0.00 H new ATOM 120 N ILE A 15 3.194 10.916 -6.233 1.00 0.00 N ATOM 121 CA ILE A 15 3.011 11.653 -4.988 1.00 0.00 C ATOM 122 C ILE A 15 4.055 12.752 -4.839 1.00 0.00 C ATOM 123 O ILE A 15 5.255 12.501 -4.953 1.00 0.00 O ATOM 124 CB ILE A 15 3.090 10.719 -3.765 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.196 9.497 -3.972 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.693 11.466 -2.500 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.720 9.826 -4.025 1.00 0.00 C ATOM 0 H ILE A 15 4.033 10.337 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 15 2.019 12.102 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 15 4.119 10.378 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.482 9.001 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.372 8.787 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.754 10.792 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.368 12.308 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.672 11.834 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.148 8.910 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.418 10.294 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.529 10.511 -4.851 1.00 0.00 H new ATOM 139 N SER A 16 3.591 13.971 -4.585 1.00 0.00 N ATOM 140 CA SER A 16 4.485 15.111 -4.418 1.00 0.00 C ATOM 141 C SER A 16 3.984 16.035 -3.313 1.00 0.00 C ATOM 142 O SER A 16 2.849 16.510 -3.351 1.00 0.00 O ATOM 143 CB SER A 16 4.607 15.887 -5.731 1.00 0.00 C ATOM 144 OG SER A 16 4.939 15.024 -6.803 1.00 0.00 O ATOM 0 H SER A 16 2.600 14.195 -4.490 1.00 0.00 H new ATOM 0 HA SER A 16 5.468 14.733 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.667 16.394 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.370 16.659 -5.631 1.00 0.00 H new ATOM 0 HG SER A 16 5.904 14.854 -6.799 1.00 0.00 H new ATOM 150 N LEU A 17 4.839 16.288 -2.326 1.00 0.00 N ATOM 151 CA LEU A 17 4.482 17.155 -1.209 1.00 0.00 C ATOM 152 C LEU A 17 4.291 18.594 -1.679 1.00 0.00 C ATOM 153 O LEU A 17 5.253 19.275 -2.034 1.00 0.00 O ATOM 154 CB LEU A 17 5.563 17.095 -0.126 1.00 0.00 C ATOM 155 CG LEU A 17 5.052 16.762 1.278 1.00 0.00 C ATOM 156 CD1 LEU A 17 4.855 15.261 1.431 1.00 0.00 C ATOM 157 CD2 LEU A 17 6.015 17.286 2.332 1.00 0.00 C ATOM 0 H LEU A 17 5.783 15.905 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 17 3.540 16.802 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.304 16.349 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.076 18.056 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 17 4.088 17.250 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.491 15.042 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.127 14.913 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.805 14.751 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.637 17.041 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.993 16.825 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.106 18.368 2.236 1.00 0.00 H new ATOM 169 N VAL A 18 3.043 19.050 -1.679 1.00 0.00 N ATOM 170 CA VAL A 18 2.724 20.408 -2.105 1.00 0.00 C ATOM 171 C VAL A 18 2.259 21.259 -0.927 1.00 0.00 C ATOM 172 O VAL A 18 2.496 22.467 -0.889 1.00 0.00 O ATOM 173 CB VAL A 18 1.636 20.413 -3.197 1.00 0.00 C ATOM 174 CG1 VAL A 18 0.336 19.826 -2.667 1.00 0.00 C ATOM 175 CG2 VAL A 18 1.417 21.823 -3.726 1.00 0.00 C ATOM 0 H VAL A 18 2.235 18.499 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 18 3.639 20.835 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 18 1.976 19.787 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.417 19.840 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.505 18.799 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.013 20.419 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.646 21.807 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.102 22.473 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.347 22.200 -4.152 1.00 0.00 H new ATOM 185 N GLY A 19 1.595 20.623 0.033 1.00 0.00 N ATOM 186 CA GLY A 19 1.108 21.338 1.197 1.00 0.00 C ATOM 187 C GLY A 19 1.952 21.091 2.436 1.00 0.00 C ATOM 188 O GLY A 19 1.606 21.547 3.527 1.00 0.00 O ATOM 0 H GLY A 19 1.386 19.625 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.092 22.406 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.080 21.038 1.398 1.00 0.00 H new ATOM 192 N SER A 20 3.058 20.371 2.272 1.00 0.00 N ATOM 193 CA SER A 20 3.945 20.070 3.391 1.00 0.00 C ATOM 194 C SER A 20 3.201 19.320 4.492 1.00 0.00 C ATOM 195 O SER A 20 3.517 19.460 5.674 1.00 0.00 O ATOM 196 CB SER A 20 4.546 21.361 3.952 1.00 0.00 C ATOM 197 OG SER A 20 5.901 21.174 4.324 1.00 0.00 O ATOM 0 H SER A 20 3.361 19.986 1.377 1.00 0.00 H new ATOM 0 HA SER A 20 4.749 19.432 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.477 22.152 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.970 21.688 4.818 1.00 0.00 H new ATOM 0 HG SER A 20 6.262 22.014 4.678 1.00 0.00 H new ATOM 203 N ARG A 21 2.212 18.526 4.096 1.00 0.00 N ATOM 204 CA ARG A 21 1.423 17.755 5.052 1.00 0.00 C ATOM 205 C ARG A 21 1.710 16.264 4.920 1.00 0.00 C ATOM 206 O ARG A 21 1.613 15.516 5.892 1.00 0.00 O ATOM 207 CB ARG A 21 -0.068 18.020 4.842 1.00 0.00 C ATOM 208 CG ARG A 21 -0.543 17.733 3.425 1.00 0.00 C ATOM 209 CD ARG A 21 -1.559 16.600 3.391 1.00 0.00 C ATOM 210 NE ARG A 21 -2.811 16.966 4.052 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.136 16.603 5.293 1.00 0.00 C ATOM 212 NH1 ARG A 21 -2.307 15.866 6.023 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.299 16.982 5.806 1.00 0.00 N ATOM 0 H ARG A 21 1.937 18.399 3.122 1.00 0.00 H new ATOM 0 HA ARG A 21 1.705 18.071 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.639 17.407 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.281 19.061 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.987 18.633 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.312 17.474 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.762 16.327 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.137 15.720 3.876 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.478 17.535 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.411 15.572 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.567 15.594 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.941 17.549 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.552 16.707 6.755 1.00 0.00 H new ATOM 227 N GLY A 22 2.064 15.838 3.713 1.00 0.00 N ATOM 228 CA GLY A 22 2.361 14.436 3.478 1.00 0.00 C ATOM 229 C GLY A 22 1.534 13.849 2.351 1.00 0.00 C ATOM 230 O GLY A 22 1.059 14.573 1.476 1.00 0.00 O ATOM 0 H GLY A 22 2.151 16.438 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.420 14.327 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.177 13.871 4.392 1.00 0.00 H new ATOM 234 N LEU A 23 1.360 12.531 2.374 1.00 0.00 N ATOM 235 CA LEU A 23 0.585 11.842 1.352 1.00 0.00 C ATOM 236 C LEU A 23 -0.889 11.791 1.740 1.00 0.00 C ATOM 237 O LEU A 23 -1.767 12.113 0.937 1.00 0.00 O ATOM 238 CB LEU A 23 1.132 10.426 1.148 1.00 0.00 C ATOM 239 CG LEU A 23 0.183 9.447 0.455 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.095 9.892 -0.972 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.764 8.041 0.474 1.00 0.00 C ATOM 0 H LEU A 23 1.747 11.919 3.092 1.00 0.00 H new ATOM 0 HA LEU A 23 0.673 12.393 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.050 10.491 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.402 10.016 2.121 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.761 9.437 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.772 9.183 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.553 10.881 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.841 9.931 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.077 7.356 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.721 8.036 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.911 7.722 1.506 1.00 0.00 H new ATOM 253 N GLY A 24 -1.154 11.380 2.975 1.00 0.00 N ATOM 254 CA GLY A 24 -2.522 11.288 3.448 1.00 0.00 C ATOM 255 C GLY A 24 -3.100 9.899 3.269 1.00 0.00 C ATOM 256 O GLY A 24 -4.303 9.742 3.059 1.00 0.00 O ATOM 0 H GLY A 24 -0.446 11.109 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.559 11.561 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.139 12.008 2.911 1.00 0.00 H new ATOM 260 N CYS A 25 -2.241 8.888 3.345 1.00 0.00 N ATOM 261 CA CYS A 25 -2.671 7.505 3.182 1.00 0.00 C ATOM 262 C CYS A 25 -1.766 6.555 3.962 1.00 0.00 C ATOM 263 O CYS A 25 -0.628 6.892 4.287 1.00 0.00 O ATOM 264 CB CYS A 25 -2.670 7.129 1.697 1.00 0.00 C ATOM 265 SG CYS A 25 -3.134 5.414 1.358 1.00 0.00 S ATOM 0 H CYS A 25 -1.242 9.001 3.519 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.683 7.413 3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.357 7.789 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.675 7.310 1.290 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.361 4.614 2.030 1.00 0.00 H new ATOM 271 N SER A 26 -2.280 5.365 4.258 1.00 0.00 N ATOM 272 CA SER A 26 -1.520 4.363 4.992 1.00 0.00 C ATOM 273 C SER A 26 -1.247 3.156 4.104 1.00 0.00 C ATOM 274 O SER A 26 -1.739 3.085 2.979 1.00 0.00 O ATOM 275 CB SER A 26 -2.285 3.930 6.245 1.00 0.00 C ATOM 276 OG SER A 26 -1.857 4.656 7.383 1.00 0.00 O ATOM 0 H SER A 26 -3.222 5.072 3.999 1.00 0.00 H new ATOM 0 HA SER A 26 -0.569 4.800 5.295 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.353 4.084 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.137 2.863 6.414 1.00 0.00 H new ATOM 0 HG SER A 26 -2.626 4.837 7.963 1.00 0.00 H new ATOM 282 N ILE A 27 -0.455 2.215 4.602 1.00 0.00 N ATOM 283 CA ILE A 27 -0.124 1.022 3.833 1.00 0.00 C ATOM 284 C ILE A 27 -0.211 -0.234 4.692 1.00 0.00 C ATOM 285 O ILE A 27 -0.455 -0.162 5.896 1.00 0.00 O ATOM 286 CB ILE A 27 1.283 1.113 3.219 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.298 1.562 4.271 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.283 2.068 2.035 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.710 1.656 3.740 1.00 0.00 C ATOM 0 H ILE A 27 -0.032 2.254 5.529 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.857 0.960 3.029 1.00 0.00 H new ATOM 0 HB ILE A 27 1.571 0.123 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.999 2.535 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.278 0.863 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.286 2.122 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.587 1.708 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.976 3.060 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.378 1.980 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.027 0.679 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.744 2.377 2.923 1.00 0.00 H new ATOM 301 N SER A 28 -0.011 -1.384 4.058 1.00 0.00 N ATOM 302 CA SER A 28 -0.068 -2.665 4.751 1.00 0.00 C ATOM 303 C SER A 28 0.917 -3.653 4.136 1.00 0.00 C ATOM 304 O SER A 28 1.381 -3.462 3.012 1.00 0.00 O ATOM 305 CB SER A 28 -1.488 -3.235 4.696 1.00 0.00 C ATOM 306 OG SER A 28 -1.490 -4.630 4.949 1.00 0.00 O ATOM 0 H SER A 28 0.193 -1.455 3.061 1.00 0.00 H new ATOM 0 HA SER A 28 0.208 -2.504 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.115 -2.729 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.924 -3.040 3.716 1.00 0.00 H new ATOM 0 HG SER A 28 -2.409 -4.968 4.909 1.00 0.00 H new ATOM 312 N SER A 29 1.233 -4.709 4.877 1.00 0.00 N ATOM 313 CA SER A 29 2.165 -5.723 4.400 1.00 0.00 C ATOM 314 C SER A 29 1.418 -6.984 3.982 1.00 0.00 C ATOM 315 O SER A 29 0.369 -7.308 4.539 1.00 0.00 O ATOM 316 CB SER A 29 3.190 -6.058 5.485 1.00 0.00 C ATOM 317 OG SER A 29 2.563 -6.222 6.745 1.00 0.00 O ATOM 0 H SER A 29 0.858 -4.885 5.809 1.00 0.00 H new ATOM 0 HA SER A 29 2.689 -5.323 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.722 -6.971 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.933 -5.263 5.546 1.00 0.00 H new ATOM 0 HG SER A 29 3.239 -6.437 7.421 1.00 0.00 H new ATOM 323 N GLY A 30 1.956 -7.682 2.989 1.00 0.00 N ATOM 324 CA GLY A 30 1.319 -8.891 2.504 1.00 0.00 C ATOM 325 C GLY A 30 1.762 -10.134 3.249 1.00 0.00 C ATOM 326 O GLY A 30 2.860 -10.176 3.802 1.00 0.00 O ATOM 0 H GLY A 30 2.822 -7.432 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.238 -8.786 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.541 -9.011 1.444 1.00 0.00 H new ATOM 330 N PRO A 31 0.915 -11.178 3.276 1.00 0.00 N ATOM 331 CA PRO A 31 1.225 -12.436 3.959 1.00 0.00 C ATOM 332 C PRO A 31 2.308 -13.230 3.233 1.00 0.00 C ATOM 333 O PRO A 31 3.072 -12.673 2.443 1.00 0.00 O ATOM 334 CB PRO A 31 -0.108 -13.189 3.937 1.00 0.00 C ATOM 335 CG PRO A 31 -0.824 -12.652 2.749 1.00 0.00 C ATOM 336 CD PRO A 31 -0.416 -11.209 2.637 1.00 0.00 C ATOM 0 HA PRO A 31 1.617 -12.275 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.046 -14.265 3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.675 -13.018 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.555 -13.205 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.903 -12.744 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.370 -10.884 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.121 -10.552 3.146 1.00 0.00 H new ATOM 344 N ILE A 32 2.371 -14.529 3.504 1.00 0.00 N ATOM 345 CA ILE A 32 3.363 -15.393 2.875 1.00 0.00 C ATOM 346 C ILE A 32 2.931 -15.804 1.471 1.00 0.00 C ATOM 347 O ILE A 32 3.767 -16.092 0.614 1.00 0.00 O ATOM 348 CB ILE A 32 3.617 -16.661 3.711 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.849 -16.298 5.180 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.804 -17.433 3.155 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.931 -17.029 6.135 1.00 0.00 C ATOM 0 H ILE A 32 1.747 -15.007 4.155 1.00 0.00 H new ATOM 0 HA ILE A 32 4.285 -14.815 2.813 1.00 0.00 H new ATOM 0 HB ILE A 32 2.734 -17.298 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.884 -16.520 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.711 -15.224 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.971 -18.327 3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.599 -17.723 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.694 -16.804 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.152 -16.723 7.158 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.894 -16.788 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.085 -18.104 6.037 1.00 0.00 H new ATOM 363 N GLN A 33 1.622 -15.835 1.242 1.00 0.00 N ATOM 364 CA GLN A 33 1.083 -16.218 -0.059 1.00 0.00 C ATOM 365 C GLN A 33 1.016 -15.024 -1.013 1.00 0.00 C ATOM 366 O GLN A 33 0.575 -15.162 -2.154 1.00 0.00 O ATOM 367 CB GLN A 33 -0.308 -16.831 0.105 1.00 0.00 C ATOM 368 CG GLN A 33 -0.285 -18.266 0.607 1.00 0.00 C ATOM 369 CD GLN A 33 -1.606 -18.691 1.218 1.00 0.00 C ATOM 370 OE1 GLN A 33 -2.354 -19.470 0.628 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.899 -18.177 2.408 1.00 0.00 N ATOM 0 H GLN A 33 0.915 -15.600 1.939 1.00 0.00 H new ATOM 0 HA GLN A 33 1.756 -16.958 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.885 -16.221 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.826 -16.798 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.040 -18.932 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.506 -18.375 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.248 -17.535 2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.774 -18.425 2.869 1.00 0.00 H new ATOM 380 N LYS A 34 1.452 -13.855 -0.547 1.00 0.00 N ATOM 381 CA LYS A 34 1.433 -12.655 -1.374 1.00 0.00 C ATOM 382 C LYS A 34 2.074 -11.472 -0.647 1.00 0.00 C ATOM 383 O LYS A 34 1.403 -10.488 -0.333 1.00 0.00 O ATOM 384 CB LYS A 34 -0.005 -12.307 -1.768 1.00 0.00 C ATOM 385 CG LYS A 34 -0.119 -11.653 -3.136 1.00 0.00 C ATOM 386 CD LYS A 34 -1.528 -11.776 -3.695 1.00 0.00 C ATOM 387 CE LYS A 34 -1.970 -10.493 -4.380 1.00 0.00 C ATOM 388 NZ LYS A 34 -1.387 -10.363 -5.744 1.00 0.00 N ATOM 0 H LYS A 34 1.820 -13.716 0.394 1.00 0.00 H new ATOM 0 HA LYS A 34 2.014 -12.858 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.606 -13.216 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.427 -11.638 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.154 -10.600 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.588 -12.118 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.568 -12.601 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.221 -12.016 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.058 -10.473 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.672 -9.637 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.712 -9.475 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.349 -10.356 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.692 -11.166 -6.330 1.00 0.00 H new ATOM 402 N PRO A 35 3.388 -11.551 -0.372 1.00 0.00 N ATOM 403 CA PRO A 35 4.119 -10.484 0.318 1.00 0.00 C ATOM 404 C PRO A 35 4.260 -9.238 -0.549 1.00 0.00 C ATOM 405 O PRO A 35 4.857 -9.285 -1.626 1.00 0.00 O ATOM 406 CB PRO A 35 5.499 -11.098 0.597 1.00 0.00 C ATOM 407 CG PRO A 35 5.355 -12.558 0.317 1.00 0.00 C ATOM 408 CD PRO A 35 4.267 -12.680 -0.706 1.00 0.00 C ATOM 0 HA PRO A 35 3.601 -10.158 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.263 -10.651 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.803 -10.925 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.289 -12.977 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.100 -13.105 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.655 -12.605 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.747 -13.635 -0.633 1.00 0.00 H new ATOM 416 N GLY A 36 3.709 -8.124 -0.078 1.00 0.00 N ATOM 417 CA GLY A 36 3.790 -6.886 -0.830 1.00 0.00 C ATOM 418 C GLY A 36 3.336 -5.682 -0.029 1.00 0.00 C ATOM 419 O GLY A 36 3.032 -5.796 1.158 1.00 0.00 O ATOM 0 H GLY A 36 3.209 -8.057 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.818 -6.732 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.178 -6.971 -1.728 1.00 0.00 H new ATOM 423 N ILE A 37 3.292 -4.524 -0.681 1.00 0.00 N ATOM 424 CA ILE A 37 2.874 -3.291 -0.025 1.00 0.00 C ATOM 425 C ILE A 37 1.475 -2.882 -0.474 1.00 0.00 C ATOM 426 O ILE A 37 1.270 -2.501 -1.627 1.00 0.00 O ATOM 427 CB ILE A 37 3.853 -2.138 -0.317 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.300 -2.619 -0.173 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.585 -0.962 0.610 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.659 -3.035 1.238 1.00 0.00 C ATOM 0 H ILE A 37 3.541 -4.414 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 37 2.868 -3.487 1.047 1.00 0.00 H new ATOM 0 HB ILE A 37 3.700 -1.805 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.463 -3.462 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.973 -1.823 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.286 -0.157 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.566 -0.606 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.711 -1.279 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.698 -3.364 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.528 -2.188 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.010 -3.853 1.552 1.00 0.00 H new ATOM 442 N PHE A 38 0.515 -2.966 0.441 1.00 0.00 N ATOM 443 CA PHE A 38 -0.866 -2.607 0.136 1.00 0.00 C ATOM 444 C PHE A 38 -1.203 -1.220 0.663 1.00 0.00 C ATOM 445 O PHE A 38 -0.393 -0.587 1.342 1.00 0.00 O ATOM 446 CB PHE A 38 -1.829 -3.641 0.726 1.00 0.00 C ATOM 447 CG PHE A 38 -1.361 -5.063 0.570 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.571 -5.436 -0.508 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.712 -6.024 1.502 1.00 0.00 C ATOM 450 CE1 PHE A 38 -0.140 -6.740 -0.650 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.284 -7.330 1.365 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.498 -7.689 0.286 1.00 0.00 C ATOM 0 H PHE A 38 0.667 -3.279 1.400 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.977 -2.596 -0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.971 -3.429 1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.802 -3.533 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.290 -4.698 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.328 -5.750 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.476 -7.017 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.563 -8.070 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.165 -8.710 0.176 1.00 0.00 H new ATOM 462 N ILE A 39 -2.401 -0.752 0.339 1.00 0.00 N ATOM 463 CA ILE A 39 -2.850 0.563 0.772 1.00 0.00 C ATOM 464 C ILE A 39 -3.920 0.450 1.858 1.00 0.00 C ATOM 465 O ILE A 39 -4.820 -0.385 1.780 1.00 0.00 O ATOM 466 CB ILE A 39 -3.404 1.379 -0.417 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.264 1.794 -1.350 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.167 2.606 0.070 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.343 2.836 -0.752 1.00 0.00 C ATOM 0 H ILE A 39 -3.080 -1.265 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.984 1.082 1.184 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.099 0.747 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.680 0.912 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.687 2.183 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.546 3.163 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.002 2.291 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.499 3.243 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.559 3.083 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.914 3.734 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.892 2.443 0.159 1.00 0.00 H new ATOM 481 N SER A 40 -3.810 1.308 2.863 1.00 0.00 N ATOM 482 CA SER A 40 -4.755 1.332 3.971 1.00 0.00 C ATOM 483 C SER A 40 -5.679 2.541 3.856 1.00 0.00 C ATOM 484 O SER A 40 -5.702 3.220 2.829 1.00 0.00 O ATOM 485 CB SER A 40 -4.010 1.360 5.307 1.00 0.00 C ATOM 486 OG SER A 40 -4.499 0.359 6.183 1.00 0.00 O ATOM 0 H SER A 40 -3.067 2.004 2.933 1.00 0.00 H new ATOM 0 HA SER A 40 -5.360 0.426 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.944 1.209 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.123 2.340 5.770 1.00 0.00 H new ATOM 0 HG SER A 40 -4.846 0.779 6.998 1.00 0.00 H new ATOM 492 N HIS A 41 -6.442 2.801 4.914 1.00 0.00 N ATOM 493 CA HIS A 41 -7.374 3.927 4.935 1.00 0.00 C ATOM 494 C HIS A 41 -6.722 5.197 4.391 1.00 0.00 C ATOM 495 O HIS A 41 -5.569 5.498 4.701 1.00 0.00 O ATOM 496 CB HIS A 41 -7.876 4.171 6.359 1.00 0.00 C ATOM 497 CG HIS A 41 -6.792 4.554 7.318 1.00 0.00 C ATOM 498 ND1 HIS A 41 -6.739 5.781 7.946 1.00 0.00 N ATOM 499 CD2 HIS A 41 -5.713 3.863 7.758 1.00 0.00 C ATOM 500 CE1 HIS A 41 -5.674 5.828 8.727 1.00 0.00 C ATOM 501 NE2 HIS A 41 -5.036 4.677 8.631 1.00 0.00 N ATOM 0 H HIS A 41 -6.434 2.247 5.770 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.218 3.674 4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.628 4.959 6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.369 3.269 6.722 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -7.416 6.534 7.826 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -5.437 2.858 7.474 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.376 6.666 9.340 1.00 0.00 H new ATOM 510 N VAL A 42 -7.469 5.934 3.576 1.00 0.00 N ATOM 511 CA VAL A 42 -6.967 7.170 2.985 1.00 0.00 C ATOM 512 C VAL A 42 -7.640 8.389 3.605 1.00 0.00 C ATOM 513 O VAL A 42 -8.733 8.291 4.164 1.00 0.00 O ATOM 514 CB VAL A 42 -7.191 7.196 1.462 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.466 8.377 0.835 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.737 5.887 0.833 1.00 0.00 C ATOM 0 H VAL A 42 -8.425 5.697 3.309 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.897 7.205 3.189 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.258 7.313 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.636 8.378 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.844 9.305 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.397 8.295 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.903 5.924 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.676 5.737 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.306 5.061 1.260 1.00 0.00 H new ATOM 526 N LYS A 43 -6.980 9.538 3.504 1.00 0.00 N ATOM 527 CA LYS A 43 -7.516 10.778 4.056 1.00 0.00 C ATOM 528 C LYS A 43 -7.992 11.708 2.942 1.00 0.00 C ATOM 529 O LYS A 43 -7.513 11.631 1.811 1.00 0.00 O ATOM 530 CB LYS A 43 -6.456 11.481 4.905 1.00 0.00 C ATOM 531 CG LYS A 43 -6.236 10.831 6.262 1.00 0.00 C ATOM 532 CD LYS A 43 -6.082 11.871 7.360 1.00 0.00 C ATOM 533 CE LYS A 43 -5.710 11.231 8.687 1.00 0.00 C ATOM 534 NZ LYS A 43 -6.471 11.821 9.822 1.00 0.00 N ATOM 0 H LYS A 43 -6.074 9.637 3.046 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.370 10.528 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.513 11.491 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.750 12.520 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.077 10.177 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.345 10.204 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.315 12.591 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.014 12.425 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.902 10.159 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.642 11.356 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.188 11.357 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.268 12.839 9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.490 11.680 9.668 1.00 0.00 H new ATOM 548 N PRO A 44 -8.947 12.602 3.249 1.00 0.00 N ATOM 549 CA PRO A 44 -9.487 13.547 2.275 1.00 0.00 C ATOM 550 C PRO A 44 -8.611 14.785 2.119 1.00 0.00 C ATOM 551 O PRO A 44 -7.881 15.160 3.037 1.00 0.00 O ATOM 552 CB PRO A 44 -10.836 13.918 2.883 1.00 0.00 C ATOM 553 CG PRO A 44 -10.618 13.832 4.355 1.00 0.00 C ATOM 554 CD PRO A 44 -9.579 12.760 4.575 1.00 0.00 C ATOM 0 HA PRO A 44 -9.549 13.122 1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.143 14.920 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.620 13.234 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.278 14.788 4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.546 13.584 4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.852 13.057 5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.031 11.829 4.916 1.00 0.00 H new ATOM 562 N GLY A 45 -8.687 15.416 0.952 1.00 0.00 N ATOM 563 CA GLY A 45 -7.897 16.607 0.699 1.00 0.00 C ATOM 564 C GLY A 45 -6.407 16.351 0.807 1.00 0.00 C ATOM 565 O GLY A 45 -5.634 17.260 1.114 1.00 0.00 O ATOM 0 H GLY A 45 -9.282 15.124 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.126 16.986 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.181 17.384 1.408 1.00 0.00 H new ATOM 569 N SER A 46 -6.001 15.110 0.555 1.00 0.00 N ATOM 570 CA SER A 46 -4.594 14.737 0.624 1.00 0.00 C ATOM 571 C SER A 46 -4.052 14.405 -0.762 1.00 0.00 C ATOM 572 O SER A 46 -4.768 14.510 -1.759 1.00 0.00 O ATOM 573 CB SER A 46 -4.405 13.539 1.559 1.00 0.00 C ATOM 574 OG SER A 46 -5.623 13.179 2.184 1.00 0.00 O ATOM 0 H SER A 46 -6.628 14.346 0.301 1.00 0.00 H new ATOM 0 HA SER A 46 -4.038 15.587 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.019 12.691 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.661 13.781 2.318 1.00 0.00 H new ATOM 0 HG SER A 46 -6.159 12.637 1.568 1.00 0.00 H new ATOM 580 N LEU A 47 -2.787 14.006 -0.820 1.00 0.00 N ATOM 581 CA LEU A 47 -2.157 13.658 -2.087 1.00 0.00 C ATOM 582 C LEU A 47 -2.678 12.320 -2.600 1.00 0.00 C ATOM 583 O LEU A 47 -3.020 12.187 -3.775 1.00 0.00 O ATOM 584 CB LEU A 47 -0.639 13.604 -1.930 1.00 0.00 C ATOM 585 CG LEU A 47 0.058 14.965 -1.944 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.456 14.854 -1.362 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.109 15.521 -3.358 1.00 0.00 C ATOM 0 H LEU A 47 -2.179 13.916 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.409 14.429 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.403 13.101 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.227 12.993 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.516 15.654 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.936 15.832 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.395 14.499 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.042 14.151 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.608 16.490 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.661 14.834 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.905 15.638 -3.740 1.00 0.00 H new ATOM 599 N SER A 48 -2.740 11.331 -1.712 1.00 0.00 N ATOM 600 CA SER A 48 -3.226 10.006 -2.082 1.00 0.00 C ATOM 601 C SER A 48 -4.595 10.105 -2.751 1.00 0.00 C ATOM 602 O SER A 48 -4.882 9.393 -3.713 1.00 0.00 O ATOM 603 CB SER A 48 -3.311 9.106 -0.849 1.00 0.00 C ATOM 604 OG SER A 48 -3.311 9.872 0.343 1.00 0.00 O ATOM 0 H SER A 48 -2.461 11.422 -0.735 1.00 0.00 H new ATOM 0 HA SER A 48 -2.522 9.569 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.218 8.503 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.468 8.415 -0.841 1.00 0.00 H new ATOM 0 HG SER A 48 -4.233 10.096 0.588 1.00 0.00 H new ATOM 610 N ALA A 49 -5.430 11.003 -2.239 1.00 0.00 N ATOM 611 CA ALA A 49 -6.763 11.207 -2.790 1.00 0.00 C ATOM 612 C ALA A 49 -6.677 11.869 -4.159 1.00 0.00 C ATOM 613 O ALA A 49 -7.423 11.526 -5.077 1.00 0.00 O ATOM 614 CB ALA A 49 -7.599 12.057 -1.846 1.00 0.00 C ATOM 0 H ALA A 49 -5.206 11.601 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.243 10.235 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.593 12.202 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.685 11.554 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.119 13.026 -1.707 1.00 0.00 H new ATOM 620 N GLU A 50 -5.758 12.821 -4.285 1.00 0.00 N ATOM 621 CA GLU A 50 -5.563 13.536 -5.540 1.00 0.00 C ATOM 622 C GLU A 50 -5.186 12.569 -6.659 1.00 0.00 C ATOM 623 O GLU A 50 -5.653 12.703 -7.791 1.00 0.00 O ATOM 624 CB GLU A 50 -4.474 14.598 -5.378 1.00 0.00 C ATOM 625 CG GLU A 50 -5.008 15.956 -4.955 1.00 0.00 C ATOM 626 CD GLU A 50 -5.966 16.548 -5.970 1.00 0.00 C ATOM 627 OE1 GLU A 50 -7.158 16.175 -5.951 1.00 0.00 O ATOM 628 OE2 GLU A 50 -5.524 17.386 -6.785 1.00 0.00 O ATOM 0 H GLU A 50 -5.136 13.115 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.501 14.024 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.750 14.255 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.939 14.705 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.515 15.860 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.173 16.641 -4.807 1.00 0.00 H new ATOM 635 N VAL A 51 -4.342 11.597 -6.332 1.00 0.00 N ATOM 636 CA VAL A 51 -3.903 10.605 -7.306 1.00 0.00 C ATOM 637 C VAL A 51 -4.970 9.534 -7.517 1.00 0.00 C ATOM 638 O VAL A 51 -5.051 8.929 -8.586 1.00 0.00 O ATOM 639 CB VAL A 51 -2.590 9.927 -6.870 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.456 10.940 -6.823 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.761 9.246 -5.519 1.00 0.00 C ATOM 0 H VAL A 51 -3.948 11.475 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.733 11.136 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.336 9.164 -7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.537 10.443 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.317 11.377 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.701 11.727 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.823 8.773 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.041 9.987 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.542 8.489 -5.589 1.00 0.00 H new ATOM 651 N GLY A 52 -5.784 9.305 -6.491 1.00 0.00 N ATOM 652 CA GLY A 52 -6.832 8.307 -6.586 1.00 0.00 C ATOM 653 C GLY A 52 -6.488 7.032 -5.840 1.00 0.00 C ATOM 654 O GLY A 52 -6.616 5.934 -6.381 1.00 0.00 O ATOM 0 H GLY A 52 -5.736 9.793 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.759 8.719 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.013 8.073 -7.635 1.00 0.00 H new ATOM 658 N LEU A 53 -6.052 7.179 -4.593 1.00 0.00 N ATOM 659 CA LEU A 53 -5.688 6.032 -3.771 1.00 0.00 C ATOM 660 C LEU A 53 -6.849 5.613 -2.875 1.00 0.00 C ATOM 661 O LEU A 53 -7.709 6.426 -2.536 1.00 0.00 O ATOM 662 CB LEU A 53 -4.461 6.357 -2.918 1.00 0.00 C ATOM 663 CG LEU A 53 -3.114 6.107 -3.600 1.00 0.00 C ATOM 664 CD1 LEU A 53 -1.982 6.704 -2.779 1.00 0.00 C ATOM 665 CD2 LEU A 53 -2.893 4.619 -3.813 1.00 0.00 C ATOM 0 H LEU A 53 -5.942 8.081 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.449 5.202 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.511 7.404 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.505 5.763 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.125 6.595 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.032 6.517 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.133 7.779 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.968 6.245 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.930 4.460 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.902 4.108 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.688 4.220 -4.443 1.00 0.00 H new ATOM 677 N GLU A 54 -6.865 4.341 -2.494 1.00 0.00 N ATOM 678 CA GLU A 54 -7.919 3.812 -1.637 1.00 0.00 C ATOM 679 C GLU A 54 -7.550 2.428 -1.114 1.00 0.00 C ATOM 680 O GLU A 54 -6.611 1.800 -1.604 1.00 0.00 O ATOM 681 CB GLU A 54 -9.241 3.744 -2.402 1.00 0.00 C ATOM 682 CG GLU A 54 -10.462 3.995 -1.532 1.00 0.00 C ATOM 683 CD GLU A 54 -11.737 4.132 -2.342 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.711 4.833 -3.376 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.761 3.540 -1.941 1.00 0.00 O ATOM 0 H GLU A 54 -6.159 3.656 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.033 4.484 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.223 4.478 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.332 2.762 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.573 3.175 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.307 4.903 -0.948 1.00 0.00 H new ATOM 692 N ILE A 55 -8.293 1.957 -0.119 1.00 0.00 N ATOM 693 CA ILE A 55 -8.039 0.646 0.466 1.00 0.00 C ATOM 694 C ILE A 55 -8.259 -0.458 -0.563 1.00 0.00 C ATOM 695 O ILE A 55 -9.212 -0.415 -1.342 1.00 0.00 O ATOM 696 CB ILE A 55 -8.942 0.385 1.688 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.870 1.559 2.665 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.539 -0.910 2.377 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.726 1.375 3.899 1.00 0.00 C ATOM 0 H ILE A 55 -9.074 2.462 0.299 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.999 0.639 0.792 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.972 0.287 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.834 1.703 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.180 2.468 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.186 -1.081 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.639 -1.740 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.503 -0.838 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.624 2.247 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.769 1.261 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.402 0.484 4.437 1.00 0.00 H new ATOM 711 N GLY A 56 -7.367 -1.442 -0.565 1.00 0.00 N ATOM 712 CA GLY A 56 -7.477 -2.541 -1.507 1.00 0.00 C ATOM 713 C GLY A 56 -6.518 -2.400 -2.673 1.00 0.00 C ATOM 714 O GLY A 56 -6.684 -3.050 -3.706 1.00 0.00 O ATOM 0 H GLY A 56 -6.570 -1.499 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.281 -3.480 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.498 -2.592 -1.884 1.00 0.00 H new ATOM 718 N ASP A 57 -5.509 -1.548 -2.510 1.00 0.00 N ATOM 719 CA ASP A 57 -4.519 -1.322 -3.553 1.00 0.00 C ATOM 720 C ASP A 57 -3.167 -1.898 -3.146 1.00 0.00 C ATOM 721 O ASP A 57 -2.913 -2.129 -1.964 1.00 0.00 O ATOM 722 CB ASP A 57 -4.387 0.175 -3.840 1.00 0.00 C ATOM 723 CG ASP A 57 -5.428 0.673 -4.823 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.255 -0.145 -5.280 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.419 1.882 -5.136 1.00 0.00 O ATOM 0 H ASP A 57 -5.358 -1.002 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.852 -1.829 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.479 0.730 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.392 0.379 -4.235 1.00 0.00 H new ATOM 730 N GLN A 58 -2.304 -2.133 -4.128 1.00 0.00 N ATOM 731 CA GLN A 58 -0.981 -2.687 -3.863 1.00 0.00 C ATOM 732 C GLN A 58 0.077 -2.025 -4.736 1.00 0.00 C ATOM 733 O GLN A 58 0.095 -2.203 -5.953 1.00 0.00 O ATOM 734 CB GLN A 58 -0.984 -4.198 -4.101 1.00 0.00 C ATOM 735 CG GLN A 58 0.294 -4.889 -3.654 1.00 0.00 C ATOM 736 CD GLN A 58 1.263 -5.117 -4.796 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.866 -5.497 -5.898 1.00 0.00 O ATOM 738 NE2 GLN A 58 2.545 -4.887 -4.538 1.00 0.00 N ATOM 0 H GLN A 58 -2.496 -1.949 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.735 -2.488 -2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.829 -4.639 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.138 -4.389 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.779 -4.287 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.044 -5.847 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.830 -4.573 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.245 -5.024 -5.267 1.00 0.00 H new ATOM 747 N ILE A 59 0.966 -1.264 -4.103 1.00 0.00 N ATOM 748 CA ILE A 59 2.032 -0.579 -4.821 1.00 0.00 C ATOM 749 C ILE A 59 3.046 -1.583 -5.357 1.00 0.00 C ATOM 750 O ILE A 59 3.674 -2.314 -4.590 1.00 0.00 O ATOM 751 CB ILE A 59 2.756 0.437 -3.918 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.742 1.348 -3.223 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.744 1.262 -4.729 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.377 2.371 -2.305 1.00 0.00 C ATOM 0 H ILE A 59 0.968 -1.108 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 59 1.572 -0.044 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 59 3.310 -0.111 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.153 1.867 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.050 0.734 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.246 1.975 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.483 0.602 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.211 1.802 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.599 2.981 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.943 1.860 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.047 3.009 -2.880 1.00 0.00 H new ATOM 766 N VAL A 60 3.192 -1.625 -6.677 1.00 0.00 N ATOM 767 CA VAL A 60 4.121 -2.554 -7.311 1.00 0.00 C ATOM 768 C VAL A 60 5.367 -1.844 -7.840 1.00 0.00 C ATOM 769 O VAL A 60 6.131 -2.418 -8.614 1.00 0.00 O ATOM 770 CB VAL A 60 3.442 -3.314 -8.468 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.252 -4.113 -7.957 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.012 -2.354 -9.568 1.00 0.00 C ATOM 0 H VAL A 60 2.681 -1.028 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 60 4.426 -3.262 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 60 4.167 -4.010 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.786 -4.643 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.590 -4.833 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.527 -3.437 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.536 -2.913 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.306 -1.629 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.886 -1.831 -9.957 1.00 0.00 H new ATOM 782 N GLU A 61 5.572 -0.596 -7.420 1.00 0.00 N ATOM 783 CA GLU A 61 6.734 0.171 -7.860 1.00 0.00 C ATOM 784 C GLU A 61 6.782 1.538 -7.185 1.00 0.00 C ATOM 785 O GLU A 61 5.747 2.146 -6.913 1.00 0.00 O ATOM 786 CB GLU A 61 6.712 0.344 -9.380 1.00 0.00 C ATOM 787 CG GLU A 61 8.080 0.642 -9.975 1.00 0.00 C ATOM 788 CD GLU A 61 7.992 1.215 -11.377 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.254 0.643 -12.207 1.00 0.00 O ATOM 790 OE2 GLU A 61 8.663 2.234 -11.644 1.00 0.00 O ATOM 0 H GLU A 61 4.953 -0.098 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 61 7.627 -0.384 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.316 -0.564 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.029 1.154 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.607 1.346 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.670 -0.274 -9.997 1.00 0.00 H new ATOM 797 N VAL A 62 7.995 2.018 -6.920 1.00 0.00 N ATOM 798 CA VAL A 62 8.186 3.314 -6.281 1.00 0.00 C ATOM 799 C VAL A 62 9.490 3.963 -6.735 1.00 0.00 C ATOM 800 O VAL A 62 10.563 3.641 -6.228 1.00 0.00 O ATOM 801 CB VAL A 62 8.197 3.191 -4.745 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.268 4.567 -4.099 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.975 2.428 -4.261 1.00 0.00 C ATOM 0 H VAL A 62 8.861 1.526 -7.139 1.00 0.00 H new ATOM 0 HA VAL A 62 7.345 3.939 -6.581 1.00 0.00 H new ATOM 0 HB VAL A 62 9.085 2.631 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.275 4.460 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.179 5.073 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.401 5.155 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.001 2.352 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.072 2.956 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.975 1.428 -4.695 1.00 0.00 H new ATOM 813 N ASN A 63 9.388 4.878 -7.694 1.00 0.00 N ATOM 814 CA ASN A 63 10.560 5.572 -8.214 1.00 0.00 C ATOM 815 C ASN A 63 11.580 4.583 -8.773 1.00 0.00 C ATOM 816 O ASN A 63 12.784 4.836 -8.743 1.00 0.00 O ATOM 817 CB ASN A 63 11.205 6.421 -7.116 1.00 0.00 C ATOM 818 CG ASN A 63 11.824 7.694 -7.658 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.680 7.655 -8.542 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.393 8.833 -7.129 1.00 0.00 N ATOM 0 H ASN A 63 8.507 5.156 -8.126 1.00 0.00 H new ATOM 0 HA ASN A 63 10.233 6.223 -9.024 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.453 6.675 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.972 5.834 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.773 9.722 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.682 8.819 -6.398 1.00 0.00 H new ATOM 827 N GLY A 64 11.088 3.458 -9.279 1.00 0.00 N ATOM 828 CA GLY A 64 11.970 2.448 -9.835 1.00 0.00 C ATOM 829 C GLY A 64 12.164 1.270 -8.902 1.00 0.00 C ATOM 830 O GLY A 64 12.409 0.149 -9.348 1.00 0.00 O ATOM 0 H GLY A 64 10.095 3.227 -9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.561 2.094 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.939 2.897 -10.054 1.00 0.00 H new ATOM 834 N VAL A 65 12.055 1.524 -7.602 1.00 0.00 N ATOM 835 CA VAL A 65 12.220 0.478 -6.601 1.00 0.00 C ATOM 836 C VAL A 65 11.157 -0.605 -6.758 1.00 0.00 C ATOM 837 O VAL A 65 9.963 -0.310 -6.827 1.00 0.00 O ATOM 838 CB VAL A 65 12.148 1.048 -5.172 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.505 -0.018 -4.149 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.061 2.258 -5.036 1.00 0.00 C ATOM 0 H VAL A 65 11.853 2.447 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 65 13.207 0.043 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 65 11.124 1.369 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.448 0.406 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.806 -0.850 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.518 -0.376 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.998 2.649 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.089 1.964 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.751 3.029 -5.741 1.00 0.00 H new ATOM 850 N ASP A 66 11.596 -1.858 -6.812 1.00 0.00 N ATOM 851 CA ASP A 66 10.682 -2.983 -6.961 1.00 0.00 C ATOM 852 C ASP A 66 9.910 -3.232 -5.668 1.00 0.00 C ATOM 853 O ASP A 66 10.477 -3.681 -4.673 1.00 0.00 O ATOM 854 CB ASP A 66 11.450 -4.244 -7.363 1.00 0.00 C ATOM 855 CG ASP A 66 11.451 -4.467 -8.862 1.00 0.00 C ATOM 856 OD1 ASP A 66 11.623 -3.480 -9.608 1.00 0.00 O ATOM 857 OD2 ASP A 66 11.282 -5.628 -9.289 1.00 0.00 O ATOM 0 H ASP A 66 12.580 -2.119 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 66 9.968 -2.737 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.478 -4.168 -7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.006 -5.109 -6.870 1.00 0.00 H new ATOM 862 N PHE A 67 8.615 -2.936 -5.692 1.00 0.00 N ATOM 863 CA PHE A 67 7.765 -3.128 -4.523 1.00 0.00 C ATOM 864 C PHE A 67 7.016 -4.457 -4.591 1.00 0.00 C ATOM 865 O PHE A 67 6.416 -4.889 -3.606 1.00 0.00 O ATOM 866 CB PHE A 67 6.768 -1.973 -4.400 1.00 0.00 C ATOM 867 CG PHE A 67 7.196 -0.910 -3.428 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.502 -0.447 -3.420 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.292 -0.377 -2.524 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.898 0.531 -2.527 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.683 0.601 -1.629 1.00 0.00 C ATOM 872 CZ PHE A 67 7.986 1.055 -1.630 1.00 0.00 C ATOM 0 H PHE A 67 8.131 -2.562 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 67 8.407 -3.146 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.626 -1.520 -5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.802 -2.370 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.218 -0.854 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.271 -0.729 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.918 0.885 -2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.969 1.010 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.293 1.819 -0.931 1.00 0.00 H new ATOM 882 N SER A 68 7.051 -5.104 -5.755 1.00 0.00 N ATOM 883 CA SER A 68 6.372 -6.383 -5.941 1.00 0.00 C ATOM 884 C SER A 68 6.733 -7.367 -4.830 1.00 0.00 C ATOM 885 O SER A 68 5.947 -8.254 -4.494 1.00 0.00 O ATOM 886 CB SER A 68 6.733 -6.981 -7.302 1.00 0.00 C ATOM 887 OG SER A 68 6.634 -6.011 -8.329 1.00 0.00 O ATOM 0 H SER A 68 7.542 -4.763 -6.582 1.00 0.00 H new ATOM 0 HA SER A 68 5.298 -6.201 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.747 -7.379 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.070 -7.817 -7.523 1.00 0.00 H new ATOM 0 HG SER A 68 6.872 -6.419 -9.188 1.00 0.00 H new ATOM 893 N ASN A 69 7.924 -7.203 -4.263 1.00 0.00 N ATOM 894 CA ASN A 69 8.385 -8.075 -3.190 1.00 0.00 C ATOM 895 C ASN A 69 9.217 -7.299 -2.175 1.00 0.00 C ATOM 896 O ASN A 69 10.134 -7.846 -1.562 1.00 0.00 O ATOM 897 CB ASN A 69 9.204 -9.232 -3.764 1.00 0.00 C ATOM 898 CG ASN A 69 8.360 -10.463 -4.030 1.00 0.00 C ATOM 899 OD1 ASN A 69 8.038 -10.772 -5.177 1.00 0.00 O ATOM 900 ND2 ASN A 69 7.995 -11.171 -2.968 1.00 0.00 N ATOM 0 H ASN A 69 8.587 -6.475 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 69 7.509 -8.476 -2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.678 -8.912 -4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.004 -9.487 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.425 -12.008 -3.085 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.285 -10.878 -2.035 1.00 0.00 H new ATOM 907 N LEU A 70 8.892 -6.023 -2.001 1.00 0.00 N ATOM 908 CA LEU A 70 9.610 -5.172 -1.059 1.00 0.00 C ATOM 909 C LEU A 70 9.048 -5.328 0.351 1.00 0.00 C ATOM 910 O LEU A 70 7.842 -5.500 0.534 1.00 0.00 O ATOM 911 CB LEU A 70 9.527 -3.707 -1.493 1.00 0.00 C ATOM 912 CG LEU A 70 10.277 -2.722 -0.592 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.528 -2.204 -1.289 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.372 -1.566 -0.192 1.00 0.00 C ATOM 0 H LEU A 70 8.136 -5.555 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 70 10.655 -5.482 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.920 -3.621 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.478 -3.414 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 70 10.581 -3.249 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.047 -1.505 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.187 -3.040 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.247 -1.695 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.923 -0.877 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.036 -1.041 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.508 -1.951 0.349 1.00 0.00 H new ATOM 926 N ASP A 71 9.929 -5.267 1.344 1.00 0.00 N ATOM 927 CA ASP A 71 9.520 -5.401 2.737 1.00 0.00 C ATOM 928 C ASP A 71 8.654 -4.220 3.167 1.00 0.00 C ATOM 929 O ASP A 71 8.635 -3.180 2.510 1.00 0.00 O ATOM 930 CB ASP A 71 10.752 -5.507 3.643 1.00 0.00 C ATOM 931 CG ASP A 71 10.777 -6.799 4.435 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.745 -7.139 5.050 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.831 -7.470 4.441 1.00 0.00 O ATOM 0 H ASP A 71 10.930 -5.126 1.210 1.00 0.00 H new ATOM 0 HA ASP A 71 8.929 -6.312 2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.654 -5.439 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.767 -4.662 4.331 1.00 0.00 H new ATOM 938 N HIS A 72 7.940 -4.391 4.275 1.00 0.00 N ATOM 939 CA HIS A 72 7.072 -3.339 4.793 1.00 0.00 C ATOM 940 C HIS A 72 7.886 -2.114 5.200 1.00 0.00 C ATOM 941 O HIS A 72 7.626 -1.004 4.737 1.00 0.00 O ATOM 942 CB HIS A 72 6.271 -3.852 5.991 1.00 0.00 C ATOM 943 CG HIS A 72 5.092 -2.995 6.331 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.344 -3.164 7.477 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.532 -1.954 5.670 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.375 -2.265 7.507 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.467 -1.520 6.421 1.00 0.00 N ATOM 0 H HIS A 72 7.945 -5.246 4.831 1.00 0.00 H new ATOM 0 HA HIS A 72 6.382 -3.050 4.000 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.926 -4.864 5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.928 -3.913 6.858 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.512 -3.873 8.191 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.862 -1.542 4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.635 -2.158 8.286 1.00 0.00 H new ATOM 956 N LYS A 73 8.870 -2.325 6.065 1.00 0.00 N ATOM 957 CA LYS A 73 9.723 -1.238 6.534 1.00 0.00 C ATOM 958 C LYS A 73 10.420 -0.551 5.362 1.00 0.00 C ATOM 959 O LYS A 73 10.533 0.673 5.326 1.00 0.00 O ATOM 960 CB LYS A 73 10.761 -1.765 7.526 1.00 0.00 C ATOM 961 CG LYS A 73 10.360 -1.580 8.980 1.00 0.00 C ATOM 962 CD LYS A 73 11.379 -2.198 9.925 1.00 0.00 C ATOM 963 CE LYS A 73 11.920 -1.175 10.914 1.00 0.00 C ATOM 964 NZ LYS A 73 11.929 -1.700 12.308 1.00 0.00 N ATOM 0 H LYS A 73 9.098 -3.239 6.457 1.00 0.00 H new ATOM 0 HA LYS A 73 9.093 -0.506 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.928 -2.825 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.709 -1.257 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.259 -0.517 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.384 -2.034 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.918 -3.022 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.203 -2.618 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.933 -0.892 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.312 -0.271 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.304 -0.973 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.959 -1.946 12.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.530 -2.548 12.356 1.00 0.00 H new ATOM 978 N GLU A 74 10.880 -1.350 4.406 1.00 0.00 N ATOM 979 CA GLU A 74 11.564 -0.820 3.232 1.00 0.00 C ATOM 980 C GLU A 74 10.647 0.117 2.451 1.00 0.00 C ATOM 981 O GLU A 74 11.099 1.105 1.873 1.00 0.00 O ATOM 982 CB GLU A 74 12.033 -1.963 2.328 1.00 0.00 C ATOM 983 CG GLU A 74 13.484 -2.358 2.553 1.00 0.00 C ATOM 984 CD GLU A 74 13.696 -3.073 3.874 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.255 -4.235 3.995 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.303 -2.471 4.784 1.00 0.00 O ATOM 0 H GLU A 74 10.792 -2.366 4.421 1.00 0.00 H new ATOM 0 HA GLU A 74 12.433 -0.256 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.398 -2.833 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.902 -1.669 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.811 -3.004 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.109 -1.465 2.523 1.00 0.00 H new ATOM 993 N ALA A 75 9.356 -0.198 2.445 1.00 0.00 N ATOM 994 CA ALA A 75 8.373 0.615 1.740 1.00 0.00 C ATOM 995 C ALA A 75 8.189 1.966 2.424 1.00 0.00 C ATOM 996 O ALA A 75 8.158 3.006 1.767 1.00 0.00 O ATOM 997 CB ALA A 75 7.045 -0.121 1.651 1.00 0.00 C ATOM 0 H ALA A 75 8.966 -1.012 2.921 1.00 0.00 H new ATOM 0 HA ALA A 75 8.742 0.795 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.321 0.498 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.184 -1.058 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.678 -0.331 2.655 1.00 0.00 H new ATOM 1003 N VAL A 76 8.069 1.943 3.746 1.00 0.00 N ATOM 1004 CA VAL A 76 7.890 3.167 4.518 1.00 0.00 C ATOM 1005 C VAL A 76 9.149 4.025 4.478 1.00 0.00 C ATOM 1006 O VAL A 76 9.073 5.252 4.401 1.00 0.00 O ATOM 1007 CB VAL A 76 7.533 2.860 5.985 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.249 4.145 6.749 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.343 1.914 6.059 1.00 0.00 C ATOM 0 H VAL A 76 8.092 1.091 4.306 1.00 0.00 H new ATOM 0 HA VAL A 76 7.065 3.714 4.062 1.00 0.00 H new ATOM 0 HB VAL A 76 8.388 2.370 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.999 3.906 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.132 4.784 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.412 4.667 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.106 1.709 7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.482 2.374 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.588 0.981 5.552 1.00 0.00 H new ATOM 1019 N ASN A 77 10.306 3.375 4.535 1.00 0.00 N ATOM 1020 CA ASN A 77 11.583 4.080 4.508 1.00 0.00 C ATOM 1021 C ASN A 77 11.732 4.896 3.228 1.00 0.00 C ATOM 1022 O ASN A 77 11.947 6.108 3.276 1.00 0.00 O ATOM 1023 CB ASN A 77 12.741 3.087 4.634 1.00 0.00 C ATOM 1024 CG ASN A 77 13.705 3.464 5.741 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.419 4.462 5.646 1.00 0.00 O ATOM 1026 ND2 ASN A 77 13.733 2.663 6.800 1.00 0.00 N ATOM 0 H ASN A 77 10.386 2.360 4.600 1.00 0.00 H new ATOM 0 HA ASN A 77 11.607 4.765 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.343 2.091 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.279 3.038 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.364 2.865 7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.124 1.846 6.838 1.00 0.00 H new ATOM 1033 N VAL A 78 11.619 4.228 2.087 1.00 0.00 N ATOM 1034 CA VAL A 78 11.744 4.895 0.797 1.00 0.00 C ATOM 1035 C VAL A 78 10.697 5.994 0.644 1.00 0.00 C ATOM 1036 O VAL A 78 11.010 7.107 0.215 1.00 0.00 O ATOM 1037 CB VAL A 78 11.603 3.898 -0.366 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.737 2.885 -0.336 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.255 3.198 -0.313 1.00 0.00 C ATOM 0 H VAL A 78 11.441 3.225 2.028 1.00 0.00 H new ATOM 0 HA VAL A 78 12.739 5.339 0.764 1.00 0.00 H new ATOM 0 HB VAL A 78 11.660 4.451 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.623 2.187 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.691 3.404 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.711 2.337 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.176 2.497 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.163 2.656 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.458 3.938 -0.385 1.00 0.00 H new ATOM 1049 N LEU A 79 9.457 5.681 1.001 1.00 0.00 N ATOM 1050 CA LEU A 79 8.369 6.647 0.907 1.00 0.00 C ATOM 1051 C LEU A 79 8.633 7.843 1.816 1.00 0.00 C ATOM 1052 O LEU A 79 8.224 8.966 1.517 1.00 0.00 O ATOM 1053 CB LEU A 79 7.036 5.988 1.280 1.00 0.00 C ATOM 1054 CG LEU A 79 6.221 5.449 0.100 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.652 6.593 -0.725 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.077 4.539 -0.769 1.00 0.00 C ATOM 0 H LEU A 79 9.180 4.767 1.358 1.00 0.00 H new ATOM 0 HA LEU A 79 8.312 6.998 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.235 5.167 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.428 6.715 1.819 1.00 0.00 H new ATOM 0 HG LEU A 79 5.390 4.865 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.077 6.190 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.003 7.206 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.468 7.205 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.481 4.166 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.929 5.100 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.435 3.699 -0.174 1.00 0.00 H new ATOM 1068 N LYS A 80 9.321 7.594 2.926 1.00 0.00 N ATOM 1069 CA LYS A 80 9.645 8.648 3.883 1.00 0.00 C ATOM 1070 C LYS A 80 10.886 9.419 3.444 1.00 0.00 C ATOM 1071 O LYS A 80 11.000 10.621 3.685 1.00 0.00 O ATOM 1072 CB LYS A 80 9.870 8.050 5.273 1.00 0.00 C ATOM 1073 CG LYS A 80 8.634 8.075 6.159 1.00 0.00 C ATOM 1074 CD LYS A 80 7.447 7.401 5.488 1.00 0.00 C ATOM 1075 CE LYS A 80 6.133 7.843 6.109 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.482 8.925 5.321 1.00 0.00 N ATOM 0 H LYS A 80 9.666 6.670 3.186 1.00 0.00 H new ATOM 0 HA LYS A 80 8.804 9.340 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.207 7.019 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.672 8.597 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.852 7.574 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.379 9.107 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.446 7.638 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.545 6.319 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.459 6.989 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.312 8.192 7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.772 9.405 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.200 9.612 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.018 8.515 4.486 1.00 0.00 H new ATOM 1090 N SER A 81 11.815 8.718 2.802 1.00 0.00 N ATOM 1091 CA SER A 81 13.052 9.334 2.333 1.00 0.00 C ATOM 1092 C SER A 81 12.766 10.431 1.313 1.00 0.00 C ATOM 1093 O SER A 81 13.100 11.596 1.532 1.00 0.00 O ATOM 1094 CB SER A 81 13.967 8.275 1.714 1.00 0.00 C ATOM 1095 OG SER A 81 15.259 8.801 1.465 1.00 0.00 O ATOM 0 H SER A 81 11.735 7.723 2.594 1.00 0.00 H new ATOM 0 HA SER A 81 13.551 9.784 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.042 7.418 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.532 7.914 0.782 1.00 0.00 H new ATOM 0 HG SER A 81 15.825 8.105 1.071 1.00 0.00 H new ATOM 1101 N SER A 82 12.151 10.053 0.198 1.00 0.00 N ATOM 1102 CA SER A 82 11.827 11.006 -0.856 1.00 0.00 C ATOM 1103 C SER A 82 10.379 11.474 -0.743 1.00 0.00 C ATOM 1104 O SER A 82 9.458 10.661 -0.683 1.00 0.00 O ATOM 1105 CB SER A 82 12.066 10.380 -2.230 1.00 0.00 C ATOM 1106 OG SER A 82 13.432 10.471 -2.602 1.00 0.00 O ATOM 0 H SER A 82 11.867 9.093 0.001 1.00 0.00 H new ATOM 0 HA SER A 82 12.479 11.872 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.759 9.334 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.449 10.883 -2.975 1.00 0.00 H new ATOM 0 HG SER A 82 13.559 10.062 -3.484 1.00 0.00 H new ATOM 1112 N ARG A 83 10.189 12.789 -0.717 1.00 0.00 N ATOM 1113 CA ARG A 83 8.853 13.363 -0.614 1.00 0.00 C ATOM 1114 C ARG A 83 8.107 13.231 -1.937 1.00 0.00 C ATOM 1115 O ARG A 83 6.960 12.782 -1.973 1.00 0.00 O ATOM 1116 CB ARG A 83 8.938 14.837 -0.209 1.00 0.00 C ATOM 1117 CG ARG A 83 8.882 15.060 1.294 1.00 0.00 C ATOM 1118 CD ARG A 83 9.709 16.264 1.710 1.00 0.00 C ATOM 1119 NE ARG A 83 9.440 17.429 0.869 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.222 18.504 0.817 1.00 0.00 C ATOM 1121 NH1 ARG A 83 11.326 18.568 1.552 1.00 0.00 N ATOM 1122 NH2 ARG A 83 9.901 19.520 0.028 1.00 0.00 N ATOM 0 H ARG A 83 10.942 13.476 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 83 8.304 12.815 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.866 15.258 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.120 15.382 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.847 15.204 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.247 14.171 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.494 16.510 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.768 16.013 1.654 1.00 0.00 H new ATOM 0 HE ARG A 83 8.602 17.417 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.579 17.790 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.921 19.395 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.054 19.478 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.501 20.344 -0.012 1.00 0.00 H new ATOM 1136 N SER A 84 8.767 13.620 -3.022 1.00 0.00 N ATOM 1137 CA SER A 84 8.169 13.542 -4.349 1.00 0.00 C ATOM 1138 C SER A 84 8.639 12.290 -5.082 1.00 0.00 C ATOM 1139 O SER A 84 9.694 12.290 -5.717 1.00 0.00 O ATOM 1140 CB SER A 84 8.523 14.785 -5.166 1.00 0.00 C ATOM 1141 OG SER A 84 7.775 14.838 -6.367 1.00 0.00 O ATOM 0 H SER A 84 9.716 13.993 -3.008 1.00 0.00 H new ATOM 0 HA SER A 84 7.087 13.490 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.330 15.680 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.588 14.780 -5.398 1.00 0.00 H new ATOM 0 HG SER A 84 8.020 15.643 -6.869 1.00 0.00 H new ATOM 1147 N LEU A 85 7.853 11.221 -4.986 1.00 0.00 N ATOM 1148 CA LEU A 85 8.195 9.963 -5.639 1.00 0.00 C ATOM 1149 C LEU A 85 6.990 9.370 -6.362 1.00 0.00 C ATOM 1150 O LEU A 85 5.869 9.407 -5.856 1.00 0.00 O ATOM 1151 CB LEU A 85 8.731 8.955 -4.616 1.00 0.00 C ATOM 1152 CG LEU A 85 8.255 9.166 -3.176 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.757 8.929 -3.069 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.011 8.247 -2.229 1.00 0.00 C ATOM 0 H LEU A 85 6.977 11.202 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 85 8.970 10.174 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.443 7.953 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.820 8.993 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 85 8.459 10.198 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.437 9.083 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.231 9.626 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.528 7.907 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.662 8.408 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.836 7.209 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.078 8.464 -2.286 1.00 0.00 H new ATOM 1166 N THR A 86 7.235 8.814 -7.543 1.00 0.00 N ATOM 1167 CA THR A 86 6.175 8.199 -8.334 1.00 0.00 C ATOM 1168 C THR A 86 6.071 6.714 -8.013 1.00 0.00 C ATOM 1169 O THR A 86 7.079 6.010 -7.958 1.00 0.00 O ATOM 1170 CB THR A 86 6.443 8.394 -9.828 1.00 0.00 C ATOM 1171 OG1 THR A 86 6.798 9.738 -10.103 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.257 8.043 -10.700 1.00 0.00 C ATOM 0 H THR A 86 8.159 8.776 -7.974 1.00 0.00 H new ATOM 0 HA THR A 86 5.231 8.682 -8.081 1.00 0.00 H new ATOM 0 HB THR A 86 7.261 7.714 -10.066 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.967 9.842 -11.063 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.515 8.204 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.991 6.997 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.410 8.675 -10.434 1.00 0.00 H new ATOM 1180 N ILE A 87 4.849 6.240 -7.792 1.00 0.00 N ATOM 1181 CA ILE A 87 4.631 4.835 -7.467 1.00 0.00 C ATOM 1182 C ILE A 87 3.634 4.186 -8.420 1.00 0.00 C ATOM 1183 O ILE A 87 2.623 4.786 -8.785 1.00 0.00 O ATOM 1184 CB ILE A 87 4.137 4.660 -6.013 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.722 5.227 -5.839 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.107 5.321 -5.040 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.655 6.739 -5.877 1.00 0.00 C ATOM 0 H ILE A 87 4.000 6.804 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 87 5.595 4.339 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 87 4.098 3.593 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.082 4.825 -6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.317 4.879 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.746 5.189 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.091 4.862 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.179 6.385 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.622 7.061 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.267 7.151 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.028 7.096 -6.837 1.00 0.00 H new ATOM 1199 N SER A 88 3.923 2.948 -8.809 1.00 0.00 N ATOM 1200 CA SER A 88 3.050 2.204 -9.709 1.00 0.00 C ATOM 1201 C SER A 88 2.229 1.187 -8.925 1.00 0.00 C ATOM 1202 O SER A 88 2.744 0.151 -8.505 1.00 0.00 O ATOM 1203 CB SER A 88 3.873 1.496 -10.787 1.00 0.00 C ATOM 1204 OG SER A 88 3.180 1.469 -12.021 1.00 0.00 O ATOM 0 H SER A 88 4.756 2.439 -8.514 1.00 0.00 H new ATOM 0 HA SER A 88 2.372 2.907 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.828 2.006 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.095 0.477 -10.469 1.00 0.00 H new ATOM 0 HG SER A 88 3.362 0.622 -12.480 1.00 0.00 H new ATOM 1210 N ILE A 89 0.954 1.495 -8.721 1.00 0.00 N ATOM 1211 CA ILE A 89 0.065 0.613 -7.976 1.00 0.00 C ATOM 1212 C ILE A 89 -0.929 -0.080 -8.901 1.00 0.00 C ATOM 1213 O ILE A 89 -1.414 0.514 -9.862 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.702 1.393 -6.888 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.675 0.469 -6.142 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.431 2.579 -7.502 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.081 0.459 -6.706 1.00 0.00 C ATOM 0 H ILE A 89 0.513 2.349 -9.061 1.00 0.00 H new ATOM 0 HA ILE A 89 0.687 -0.144 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 89 0.016 1.775 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.281 -0.547 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.718 0.774 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.968 3.120 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.709 3.245 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.139 2.223 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.703 -0.219 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.498 1.465 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.055 0.124 -7.743 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.235 -1.336 -8.599 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.177 -2.105 -9.399 1.00 0.00 C ATOM 1231 C VAL A 90 -3.464 -2.364 -8.622 1.00 0.00 C ATOM 1232 O VAL A 90 -3.429 -2.818 -7.479 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.574 -3.450 -9.843 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.496 -4.150 -10.831 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.193 -3.238 -10.445 1.00 0.00 C ATOM 0 H VAL A 90 -0.844 -1.843 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.402 -1.512 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.470 -4.090 -8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.053 -5.099 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.461 -4.334 -10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.635 -3.519 -11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.220 -4.198 -10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.271 -2.581 -11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.462 -2.783 -9.702 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.595 -2.057 -9.245 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.895 -2.241 -8.611 1.00 0.00 C ATOM 1247 C ALA A 91 -6.199 -3.715 -8.357 1.00 0.00 C ATOM 1248 O ALA A 91 -6.055 -4.552 -9.249 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.988 -1.619 -9.464 1.00 0.00 C ATOM 0 H ALA A 91 -4.638 -1.678 -10.191 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.864 -1.739 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.954 -1.763 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.796 -0.552 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.999 -2.095 -10.445 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.636 -4.014 -7.134 1.00 0.00 N ATOM 1256 CA ALA A 92 -6.990 -5.376 -6.733 1.00 0.00 C ATOM 1257 C ALA A 92 -5.769 -6.205 -6.334 1.00 0.00 C ATOM 1258 O ALA A 92 -5.908 -7.233 -5.670 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.776 -6.081 -7.828 1.00 0.00 C ATOM 0 H ALA A 92 -6.755 -3.321 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.622 -5.286 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.026 -7.091 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.693 -5.528 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.173 -6.130 -8.735 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.575 -5.764 -6.723 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.355 -6.487 -6.379 1.00 0.00 C ATOM 1267 C ALA A 93 -3.237 -6.662 -4.866 1.00 0.00 C ATOM 1268 O ALA A 93 -2.546 -7.559 -4.385 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.136 -5.759 -6.927 1.00 0.00 C ATOM 0 H ALA A 93 -4.427 -4.917 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.404 -7.477 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.234 -6.310 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.212 -5.687 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.088 -4.757 -6.500 1.00 0.00 H new ATOM 1275 N GLY A 94 -3.923 -5.794 -4.127 1.00 0.00 N ATOM 1276 CA GLY A 94 -3.897 -5.850 -2.676 1.00 0.00 C ATOM 1277 C GLY A 94 -5.255 -6.181 -2.086 1.00 0.00 C ATOM 1278 O GLY A 94 -5.344 -6.780 -1.014 1.00 0.00 O ATOM 0 H GLY A 94 -4.501 -5.047 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.173 -6.599 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.557 -4.891 -2.284 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.316 -5.773 -2.780 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.679 -6.012 -2.310 1.00 0.00 C ATOM 1284 C ARG A 95 -7.921 -7.498 -2.061 1.00 0.00 C ATOM 1285 O ARG A 95 -8.646 -7.871 -1.140 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.689 -5.478 -3.336 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.117 -6.503 -4.379 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.068 -5.899 -5.402 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.465 -6.189 -5.088 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.223 -5.434 -4.294 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.729 -4.337 -3.735 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.482 -5.778 -4.060 1.00 0.00 N ATOM 0 H ARG A 95 -6.258 -5.276 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.812 -5.484 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.573 -5.122 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.254 -4.618 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.236 -6.895 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.601 -7.345 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.921 -4.820 -5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.830 -6.288 -6.392 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.886 -7.021 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.762 -4.066 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.316 -3.765 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.869 -6.619 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.064 -5.201 -3.452 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.304 -8.343 -2.879 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.453 -9.785 -2.732 1.00 0.00 C ATOM 1308 C GLU A 96 -7.109 -10.211 -1.307 1.00 0.00 C ATOM 1309 O GLU A 96 -7.764 -11.078 -0.730 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.557 -10.520 -3.730 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.187 -11.782 -4.295 1.00 0.00 C ATOM 1312 CD GLU A 96 -8.489 -11.509 -5.021 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -8.539 -10.538 -5.805 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -9.459 -12.265 -4.804 1.00 0.00 O ATOM 0 H GLU A 96 -6.698 -8.056 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.491 -10.046 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.313 -9.846 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.618 -10.780 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.486 -12.258 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.368 -12.487 -3.484 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.082 -9.582 -0.746 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.650 -9.880 0.612 1.00 0.00 C ATOM 1323 C LEU A 97 -6.660 -9.354 1.627 1.00 0.00 C ATOM 1324 O LEU A 97 -7.145 -10.097 2.479 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.275 -9.260 0.880 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.088 -10.034 0.305 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.915 -11.361 1.026 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.265 -10.254 -1.190 1.00 0.00 C ATOM 0 H LEU A 97 -5.533 -8.861 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.580 -10.963 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.263 -8.250 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.140 -9.167 1.958 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.186 -9.442 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.066 -11.897 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.737 -11.179 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.818 -11.960 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.410 -10.806 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.177 -10.823 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.335 -9.290 -1.694 1.00 0.00 H new ATOM 1340 N PHE A 98 -6.970 -8.063 1.526 1.00 0.00 N ATOM 1341 CA PHE A 98 -7.920 -7.422 2.432 1.00 0.00 C ATOM 1342 C PHE A 98 -9.227 -8.207 2.507 1.00 0.00 C ATOM 1343 O PHE A 98 -9.903 -8.208 3.536 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.200 -5.990 1.977 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.264 -4.976 2.571 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -6.062 -4.677 1.950 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -7.585 -4.328 3.753 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -5.198 -3.746 2.496 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.725 -3.396 4.303 1.00 0.00 C ATOM 1350 CZ PHE A 98 -5.530 -3.105 3.674 1.00 0.00 C ATOM 0 H PHE A 98 -6.575 -7.438 0.823 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.474 -7.404 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.131 -5.943 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.224 -5.727 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -5.797 -5.176 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.517 -4.554 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.264 -3.520 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.987 -2.896 5.224 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.856 -2.378 4.102 1.00 0.00 H new ATOM 1360 N MET A 99 -9.576 -8.873 1.413 1.00 0.00 N ATOM 1361 CA MET A 99 -10.803 -9.661 1.358 1.00 0.00 C ATOM 1362 C MET A 99 -10.785 -10.768 2.407 1.00 0.00 C ATOM 1363 O MET A 99 -11.745 -10.943 3.155 1.00 0.00 O ATOM 1364 CB MET A 99 -10.986 -10.264 -0.036 1.00 0.00 C ATOM 1365 CG MET A 99 -11.391 -9.248 -1.091 1.00 0.00 C ATOM 1366 SD MET A 99 -13.156 -9.294 -1.458 1.00 0.00 S ATOM 1367 CE MET A 99 -13.825 -8.480 -0.011 1.00 0.00 C ATOM 0 H MET A 99 -9.028 -8.884 0.553 1.00 0.00 H new ATOM 0 HA MET A 99 -11.641 -8.998 1.570 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.055 -10.741 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.743 -11.046 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.121 -8.249 -0.750 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.829 -9.436 -2.006 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.841 -8.145 -0.219 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.837 -9.178 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.205 -7.620 0.242 1.00 0.00 H new ATOM 1377 N THR A 100 -9.685 -11.513 2.454 1.00 0.00 N ATOM 1378 CA THR A 100 -9.540 -12.603 3.412 1.00 0.00 C ATOM 1379 C THR A 100 -10.608 -13.669 3.189 1.00 0.00 C ATOM 1380 O THR A 100 -11.690 -13.380 2.679 1.00 0.00 O ATOM 1381 CB THR A 100 -9.627 -12.070 4.843 1.00 0.00 C ATOM 1382 OG1 THR A 100 -9.109 -10.754 4.920 1.00 0.00 O ATOM 1383 CG2 THR A 100 -8.873 -12.919 5.844 1.00 0.00 C ATOM 0 H THR A 100 -8.881 -11.382 1.840 1.00 0.00 H new ATOM 0 HA THR A 100 -8.561 -13.057 3.260 1.00 0.00 H new ATOM 0 HB THR A 100 -10.687 -12.093 5.096 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.175 -10.430 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.975 -12.486 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.281 -13.930 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.819 -12.954 5.570 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -4.747 -12.409 13.007 1.00 0.00 N ATOM 1393 CA THR B 111 -4.504 -11.002 13.296 1.00 0.00 C ATOM 1394 C THR B 111 -4.329 -10.203 12.006 1.00 0.00 C ATOM 1395 O THR B 111 -3.887 -10.740 10.990 1.00 0.00 O ATOM 1396 CB THR B 111 -3.263 -10.848 14.179 1.00 0.00 C ATOM 1397 OG1 THR B 111 -2.375 -11.937 13.988 1.00 0.00 O ATOM 1398 CG2 THR B 111 -3.583 -10.770 15.655 1.00 0.00 C ATOM 0 HA THR B 111 -5.371 -10.611 13.829 1.00 0.00 H new ATOM 0 HB THR B 111 -2.806 -9.906 13.874 1.00 0.00 H new ATOM 0 HG1 THR B 111 -2.857 -12.684 13.576 1.00 0.00 H new ATOM 0 HG21 THR B 111 -2.659 -10.662 16.222 1.00 0.00 H new ATOM 0 HG22 THR B 111 -4.227 -9.911 15.843 1.00 0.00 H new ATOM 0 HG23 THR B 111 -4.094 -11.681 15.965 1.00 0.00 H new ATOM 1406 N PRO B 112 -4.677 -8.905 12.029 1.00 0.00 N ATOM 1407 CA PRO B 112 -4.556 -8.036 10.854 1.00 0.00 C ATOM 1408 C PRO B 112 -3.101 -7.753 10.492 1.00 0.00 C ATOM 1409 O PRO B 112 -2.219 -7.799 11.348 1.00 0.00 O ATOM 1410 CB PRO B 112 -5.259 -6.748 11.288 1.00 0.00 C ATOM 1411 CG PRO B 112 -5.156 -6.743 12.773 1.00 0.00 C ATOM 1412 CD PRO B 112 -5.215 -8.183 13.198 1.00 0.00 C ATOM 0 HA PRO B 112 -4.988 -8.493 9.964 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -4.780 -5.870 10.855 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -6.299 -6.736 10.963 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -4.225 -6.278 13.098 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -5.970 -6.171 13.219 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -4.618 -8.363 14.092 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -6.234 -8.493 13.428 1.00 0.00 H new ATOM 1420 N LEU B 113 -2.861 -7.460 9.218 1.00 0.00 N ATOM 1421 CA LEU B 113 -1.514 -7.170 8.742 1.00 0.00 C ATOM 1422 C LEU B 113 -1.028 -5.826 9.271 1.00 0.00 C ATOM 1423 O LEU B 113 -1.825 -4.923 9.526 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.480 -7.170 7.213 1.00 0.00 C ATOM 1425 CG LEU B 113 -2.186 -8.355 6.550 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.873 -7.917 5.266 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -1.195 -9.476 6.270 1.00 0.00 C ATOM 0 H LEU B 113 -3.582 -7.417 8.497 1.00 0.00 H new ATOM 0 HA LEU B 113 -0.849 -7.949 9.114 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -1.937 -6.248 6.854 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.440 -7.158 6.888 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.946 -8.730 7.235 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.369 -8.773 4.809 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.611 -7.148 5.492 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.131 -7.516 4.575 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.714 -10.311 5.799 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.413 -9.112 5.604 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.748 -9.809 7.207 1.00 0.00 H new ATOM 1439 N GLU B 114 0.285 -5.698 9.434 1.00 0.00 N ATOM 1440 CA GLU B 114 0.878 -4.463 9.933 1.00 0.00 C ATOM 1441 C GLU B 114 0.534 -3.289 9.022 1.00 0.00 C ATOM 1442 O GLU B 114 0.572 -3.409 7.797 1.00 0.00 O ATOM 1443 CB GLU B 114 2.396 -4.608 10.046 1.00 0.00 C ATOM 1444 CG GLU B 114 2.842 -5.366 11.286 1.00 0.00 C ATOM 1445 CD GLU B 114 4.261 -5.022 11.699 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.177 -5.182 10.866 1.00 0.00 O ATOM 1447 OE2 GLU B 114 4.454 -4.595 12.856 1.00 0.00 O ATOM 0 H GLU B 114 0.959 -6.435 9.227 1.00 0.00 H new ATOM 0 HA GLU B 114 0.466 -4.266 10.923 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.771 -5.122 9.161 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.848 -3.616 10.054 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.163 -5.142 12.109 1.00 0.00 H new ATOM 0 HG3 GLU B 114 2.771 -6.437 11.098 1.00 0.00 H new ATOM 1454 N ILE B 115 0.196 -2.155 9.626 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.157 -0.960 8.867 1.00 0.00 C ATOM 1456 C ILE B 115 0.776 0.199 9.201 1.00 0.00 C ATOM 1457 O ILE B 115 1.263 0.313 10.328 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.612 -0.528 9.138 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.537 -1.746 9.167 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.074 0.470 8.087 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -2.564 -2.515 7.865 1.00 0.00 C ATOM 0 H ILE B 115 0.159 -2.038 10.639 1.00 0.00 H new ATOM 0 HA ILE B 115 -0.053 -1.215 7.812 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.653 -0.044 10.114 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.220 -2.414 9.968 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -3.548 -1.418 9.407 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.103 0.765 8.293 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.432 1.350 8.114 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.019 0.011 7.100 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.240 -3.365 7.958 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -2.910 -1.862 7.064 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -1.561 -2.873 7.633 1.00 0.00 H new ATOM 1473 N THR B 116 1.021 1.059 8.218 1.00 0.00 N ATOM 1474 CA THR B 116 1.896 2.211 8.409 1.00 0.00 C ATOM 1475 C THR B 116 1.267 3.473 7.828 1.00 0.00 C ATOM 1476 O THR B 116 0.560 3.420 6.822 1.00 0.00 O ATOM 1477 CB THR B 116 3.256 1.959 7.757 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.855 0.788 8.281 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.233 3.100 7.949 1.00 0.00 C ATOM 0 H THR B 116 0.626 0.980 7.281 1.00 0.00 H new ATOM 0 HA THR B 116 2.036 2.356 9.480 1.00 0.00 H new ATOM 0 HB THR B 116 3.050 1.854 6.692 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.858 0.087 7.596 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.177 2.856 7.462 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.822 4.009 7.509 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.404 3.257 9.014 1.00 0.00 H new ATOM 1487 N GLU B 117 1.528 4.608 8.469 1.00 0.00 N ATOM 1488 CA GLU B 117 0.988 5.885 8.018 1.00 0.00 C ATOM 1489 C GLU B 117 1.999 6.628 7.153 1.00 0.00 C ATOM 1490 O GLU B 117 3.150 6.817 7.548 1.00 0.00 O ATOM 1491 CB GLU B 117 0.590 6.746 9.217 1.00 0.00 C ATOM 1492 CG GLU B 117 -0.737 6.346 9.840 1.00 0.00 C ATOM 1493 CD GLU B 117 -0.690 6.326 11.355 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.355 5.268 11.925 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -0.991 7.371 11.973 1.00 0.00 O ATOM 0 H GLU B 117 2.111 4.669 9.304 1.00 0.00 H new ATOM 0 HA GLU B 117 0.102 5.685 7.415 1.00 0.00 H new ATOM 0 HB2 GLU B 117 1.371 6.682 9.974 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.535 7.788 8.903 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.511 7.041 9.514 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.021 5.359 9.476 1.00 0.00 H new ATOM 1502 N LEU B 118 1.561 7.050 5.971 1.00 0.00 N ATOM 1503 CA LEU B 118 2.426 7.776 5.048 1.00 0.00 C ATOM 1504 C LEU B 118 1.884 9.177 4.782 1.00 0.00 C ATOM 1505 O LEU B 118 0.805 9.284 4.163 1.00 0.00 O ATOM 1506 CB LEU B 118 2.559 7.010 3.730 1.00 0.00 C ATOM 1507 CG LEU B 118 2.950 5.538 3.871 1.00 0.00 C ATOM 1508 CD1 LEU B 118 3.138 4.902 2.503 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.218 5.402 4.702 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.543 10.154 5.196 1.00 0.00 O ATOM 0 H LEU B 118 0.611 6.901 5.630 1.00 0.00 H new ATOM 0 HA LEU B 118 3.410 7.867 5.508 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.610 7.068 3.197 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.304 7.510 3.111 1.00 0.00 H new ATOM 0 HG LEU B 118 2.143 5.015 4.384 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.416 3.855 2.624 1.00 0.00 H new ATOM 0 HD12 LEU B 118 2.207 4.968 1.940 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.926 5.427 1.963 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.482 4.348 4.793 1.00 0.00 H new ATOM 0 HD22 LEU B 118 5.032 5.940 4.215 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.049 5.820 5.694 1.00 0.00 H new TER 1522 LEU B 118