USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 752 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 1 MET N :NH3+ 176:sc= -1.81! (180deg=-0.445!) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= -3.03 F(o=-6.2,f=-4.8) USER MOD Set 2.1: A 83 GLN : amide:sc= -0.0073 X(o=-0.036,f=0.037) USER MOD Set 2.2: A 86 ASN : amide:sc= -0.0283 X(o=-0.036,f=0.037) USER MOD Set 3.1: A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.16) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 180:sc= -0.194 (180deg=-0.194) USER MOD Set 4.2: A 26 GLN : amide:sc= -0.0163 X(o=-0.21,f=-0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 148:sc=-0.00935 USER MOD Single : A 4 THR OG1 : rot 10:sc= -0.514 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -161:sc= -2.73 (180deg=-4.66!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -62:sc= 0.865 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.79 (180deg=1.68) USER MOD Single : A 47 HIS : no HE2:sc= -2.32 X(o=-2.3,f=-2.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 165:sc= 0 (180deg=-0.437) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.467 F(o=-1,f=-0.47) USER MOD Single : A 59 THR OG1 : rot -150:sc= -0.753 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.11 X(o=-3.1,f=-2.7) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 72 HIS : no HD1:sc= -0.0415 X(o=-0.041,f=-0.16) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.481 -1.083 -5.087 1.00 12.21 N ATOM 2 CA MET A 1 1.441 -0.723 -4.050 1.00 63.41 C ATOM 3 C MET A 1 2.019 0.666 -4.302 1.00 33.20 C ATOM 4 O MET A 1 2.078 1.126 -5.442 1.00 14.34 O ATOM 5 CB MET A 1 2.570 -1.755 -3.991 1.00 10.51 C ATOM 6 CG MET A 1 2.351 -2.836 -2.946 1.00 34.23 C ATOM 7 SD MET A 1 2.548 -2.224 -1.261 1.00 73.50 S ATOM 8 CE MET A 1 1.092 -2.915 -0.478 1.00 2.32 C ATOM 0 H1 MET A 1 0.152 -2.057 -4.932 1.00 12.21 H new ATOM 0 H2 MET A 1 -0.330 -0.434 -5.049 1.00 12.21 H new ATOM 0 H3 MET A 1 0.936 -1.015 -6.020 1.00 12.21 H new ATOM 0 HA MET A 1 0.918 -0.711 -3.094 1.00 63.41 H new ATOM 0 HB2 MET A 1 2.675 -2.223 -4.970 1.00 10.51 H new ATOM 0 HB3 MET A 1 3.509 -1.243 -3.781 1.00 10.51 H new ATOM 0 HG2 MET A 1 1.350 -3.251 -3.063 1.00 34.23 H new ATOM 0 HG3 MET A 1 3.056 -3.650 -3.118 1.00 34.23 H new ATOM 0 HE1 MET A 1 1.071 -2.624 0.572 1.00 2.32 H new ATOM 0 HE2 MET A 1 0.198 -2.540 -0.976 1.00 2.32 H new ATOM 0 HE3 MET A 1 1.120 -4.002 -0.553 1.00 2.32 H new ATOM 18 N ALA A 2 2.443 1.328 -3.231 1.00 2.40 N ATOM 19 CA ALA A 2 3.017 2.664 -3.337 1.00 3.01 C ATOM 20 C ALA A 2 4.234 2.667 -4.256 1.00 4.13 C ATOM 21 O ALA A 2 4.657 3.717 -4.742 1.00 15.14 O ATOM 22 CB ALA A 2 3.393 3.188 -1.959 1.00 33.03 C ATOM 0 H ALA A 2 2.400 0.961 -2.280 1.00 2.40 H new ATOM 0 HA ALA A 2 2.265 3.322 -3.771 1.00 3.01 H new ATOM 0 HB1 ALA A 2 3.820 4.186 -2.053 1.00 33.03 H new ATOM 0 HB2 ALA A 2 2.503 3.232 -1.331 1.00 33.03 H new ATOM 0 HB3 ALA A 2 4.125 2.521 -1.504 1.00 33.03 H new ATOM 28 N THR A 3 4.796 1.485 -4.490 1.00 42.23 N ATOM 29 CA THR A 3 5.966 1.352 -5.349 1.00 41.12 C ATOM 30 C THR A 3 5.722 1.987 -6.713 1.00 52.23 C ATOM 31 O THR A 3 6.378 2.961 -7.083 1.00 41.42 O ATOM 32 CB THR A 3 6.353 -0.126 -5.546 1.00 5.24 C ATOM 33 OG1 THR A 3 5.177 -0.941 -5.573 1.00 73.25 O ATOM 34 CG2 THR A 3 7.276 -0.596 -4.431 1.00 62.03 C ATOM 0 H THR A 3 4.460 0.606 -4.096 1.00 42.23 H new ATOM 0 HA THR A 3 6.784 1.871 -4.850 1.00 41.12 H new ATOM 0 HB THR A 3 6.880 -0.218 -6.496 1.00 5.24 H new ATOM 0 HG1 THR A 3 5.323 -1.706 -6.168 1.00 73.25 H new ATOM 0 HG21 THR A 3 7.536 -1.642 -4.591 1.00 62.03 H new ATOM 0 HG22 THR A 3 8.184 0.008 -4.431 1.00 62.03 H new ATOM 0 HG23 THR A 3 6.770 -0.490 -3.471 1.00 62.03 H new ATOM 42 N THR A 4 4.773 1.430 -7.459 1.00 54.10 N ATOM 43 CA THR A 4 4.442 1.942 -8.783 1.00 31.11 C ATOM 44 C THR A 4 3.435 3.083 -8.695 1.00 42.25 C ATOM 45 O THR A 4 3.325 3.898 -9.612 1.00 13.01 O ATOM 46 CB THR A 4 3.868 0.834 -9.686 1.00 52.12 C ATOM 47 OG1 THR A 4 3.654 1.341 -11.008 1.00 43.41 O ATOM 48 CG2 THR A 4 2.558 0.302 -9.124 1.00 42.01 C ATOM 0 H THR A 4 4.220 0.624 -7.168 1.00 54.10 H new ATOM 0 HA THR A 4 5.369 2.312 -9.220 1.00 31.11 H new ATOM 0 HB THR A 4 4.588 0.017 -9.723 1.00 52.12 H new ATOM 0 HG1 THR A 4 4.066 2.227 -11.089 1.00 43.41 H new ATOM 0 HG21 THR A 4 2.172 -0.479 -9.779 1.00 42.01 H new ATOM 0 HG22 THR A 4 2.729 -0.110 -8.129 1.00 42.01 H new ATOM 0 HG23 THR A 4 1.833 1.113 -9.061 1.00 42.01 H new ATOM 56 N TYR A 5 2.703 3.137 -7.588 1.00 64.42 N ATOM 57 CA TYR A 5 1.704 4.178 -7.382 1.00 71.01 C ATOM 58 C TYR A 5 2.367 5.513 -7.057 1.00 41.05 C ATOM 59 O TYR A 5 2.110 6.522 -7.714 1.00 35.44 O ATOM 60 CB TYR A 5 0.750 3.782 -6.254 1.00 54.21 C ATOM 61 CG TYR A 5 -0.357 2.851 -6.696 1.00 1.22 C ATOM 62 CD1 TYR A 5 -1.055 3.081 -7.875 1.00 33.11 C ATOM 63 CD2 TYR A 5 -0.705 1.743 -5.934 1.00 23.31 C ATOM 64 CE1 TYR A 5 -2.068 2.234 -8.282 1.00 64.52 C ATOM 65 CE2 TYR A 5 -1.714 0.889 -6.334 1.00 54.21 C ATOM 66 CZ TYR A 5 -2.393 1.139 -7.509 1.00 20.13 C ATOM 67 OH TYR A 5 -3.400 0.292 -7.910 1.00 74.21 O ATOM 0 H TYR A 5 2.783 2.471 -6.819 1.00 64.42 H new ATOM 0 HA TYR A 5 1.137 4.290 -8.306 1.00 71.01 H new ATOM 0 HB2 TYR A 5 1.320 3.303 -5.458 1.00 54.21 H new ATOM 0 HB3 TYR A 5 0.308 4.684 -5.830 1.00 54.21 H new ATOM 0 HD1 TYR A 5 -0.802 3.936 -8.484 1.00 33.11 H new ATOM 0 HD2 TYR A 5 -0.177 1.546 -5.013 1.00 23.31 H new ATOM 0 HE1 TYR A 5 -2.602 2.428 -9.200 1.00 64.52 H new ATOM 0 HE2 TYR A 5 -1.970 0.031 -5.731 1.00 54.21 H new ATOM 0 HH TYR A 5 -3.501 -0.429 -7.254 1.00 74.21 H new ATOM 77 N GLU A 6 3.223 5.509 -6.040 1.00 51.32 N ATOM 78 CA GLU A 6 3.923 6.720 -5.628 1.00 24.13 C ATOM 79 C GLU A 6 4.876 7.196 -6.721 1.00 1.35 C ATOM 80 O GLU A 6 5.274 8.360 -6.746 1.00 51.35 O ATOM 81 CB GLU A 6 4.699 6.471 -4.333 1.00 22.34 C ATOM 82 CG GLU A 6 4.869 7.714 -3.476 1.00 42.21 C ATOM 83 CD GLU A 6 6.243 7.801 -2.840 1.00 40.22 C ATOM 84 OE1 GLU A 6 7.195 8.208 -3.539 1.00 52.02 O ATOM 85 OE2 GLU A 6 6.367 7.463 -1.645 1.00 34.33 O ATOM 0 H GLU A 6 3.448 4.682 -5.487 1.00 51.32 H new ATOM 0 HA GLU A 6 3.179 7.498 -5.454 1.00 24.13 H new ATOM 0 HB2 GLU A 6 4.183 5.707 -3.752 1.00 22.34 H new ATOM 0 HB3 GLU A 6 5.683 6.073 -4.580 1.00 22.34 H new ATOM 0 HG2 GLU A 6 4.700 8.599 -4.089 1.00 42.21 H new ATOM 0 HG3 GLU A 6 4.110 7.718 -2.694 1.00 42.21 H new ATOM 92 N GLU A 7 5.237 6.287 -7.620 1.00 65.32 N ATOM 93 CA GLU A 7 6.144 6.614 -8.714 1.00 64.22 C ATOM 94 C GLU A 7 5.375 7.156 -9.915 1.00 71.34 C ATOM 95 O GLU A 7 5.843 8.057 -10.612 1.00 31.15 O ATOM 96 CB GLU A 7 6.949 5.379 -9.125 1.00 45.22 C ATOM 97 CG GLU A 7 8.277 5.710 -9.786 1.00 52.44 C ATOM 98 CD GLU A 7 9.257 4.554 -9.739 1.00 12.32 C ATOM 99 OE1 GLU A 7 10.273 4.609 -10.463 1.00 23.05 O ATOM 100 OE2 GLU A 7 9.008 3.595 -8.979 1.00 13.41 O ATOM 0 H GLU A 7 4.916 5.319 -7.613 1.00 65.32 H new ATOM 0 HA GLU A 7 6.830 7.386 -8.365 1.00 64.22 H new ATOM 0 HB2 GLU A 7 7.135 4.767 -8.243 1.00 45.22 H new ATOM 0 HB3 GLU A 7 6.352 4.778 -9.810 1.00 45.22 H new ATOM 0 HG2 GLU A 7 8.102 5.990 -10.825 1.00 52.44 H new ATOM 0 HG3 GLU A 7 8.718 6.576 -9.292 1.00 52.44 H new ATOM 107 N PHE A 8 4.192 6.599 -10.153 1.00 14.14 N ATOM 108 CA PHE A 8 3.357 7.025 -11.270 1.00 71.51 C ATOM 109 C PHE A 8 2.608 8.310 -10.931 1.00 41.11 C ATOM 110 O PHE A 8 2.443 9.187 -11.779 1.00 33.41 O ATOM 111 CB PHE A 8 2.361 5.923 -11.639 1.00 20.14 C ATOM 112 CG PHE A 8 2.928 4.890 -12.570 1.00 74.21 C ATOM 113 CD1 PHE A 8 4.176 4.336 -12.335 1.00 74.11 C ATOM 114 CD2 PHE A 8 2.212 4.473 -13.681 1.00 61.20 C ATOM 115 CE1 PHE A 8 4.700 3.385 -13.190 1.00 72.30 C ATOM 116 CE2 PHE A 8 2.731 3.522 -14.539 1.00 71.32 C ATOM 117 CZ PHE A 8 3.977 2.978 -14.294 1.00 73.11 C ATOM 0 H PHE A 8 3.790 5.852 -9.587 1.00 14.14 H new ATOM 0 HA PHE A 8 4.007 7.219 -12.123 1.00 71.51 H new ATOM 0 HB2 PHE A 8 2.021 5.431 -10.727 1.00 20.14 H new ATOM 0 HB3 PHE A 8 1.485 6.376 -12.102 1.00 20.14 H new ATOM 0 HD1 PHE A 8 4.746 4.651 -11.473 1.00 74.11 H new ATOM 0 HD2 PHE A 8 1.238 4.896 -13.878 1.00 61.20 H new ATOM 0 HE1 PHE A 8 5.674 2.961 -12.995 1.00 72.30 H new ATOM 0 HE2 PHE A 8 2.163 3.204 -15.401 1.00 71.32 H new ATOM 0 HZ PHE A 8 4.385 2.236 -14.964 1.00 73.11 H new ATOM 127 N ALA A 9 2.157 8.414 -9.685 1.00 50.13 N ATOM 128 CA ALA A 9 1.427 9.592 -9.233 1.00 21.10 C ATOM 129 C ALA A 9 2.330 10.821 -9.207 1.00 73.34 C ATOM 130 O ALA A 9 1.853 11.954 -9.264 1.00 20.13 O ATOM 131 CB ALA A 9 0.829 9.345 -7.856 1.00 13.40 C ATOM 0 H ALA A 9 2.284 7.697 -8.971 1.00 50.13 H new ATOM 0 HA ALA A 9 0.619 9.782 -9.940 1.00 21.10 H new ATOM 0 HB1 ALA A 9 0.287 10.233 -7.530 1.00 13.40 H new ATOM 0 HB2 ALA A 9 0.144 8.498 -7.903 1.00 13.40 H new ATOM 0 HB3 ALA A 9 1.627 9.127 -7.146 1.00 13.40 H new ATOM 137 N ALA A 10 3.635 10.588 -9.121 1.00 44.54 N ATOM 138 CA ALA A 10 4.604 11.677 -9.090 1.00 25.24 C ATOM 139 C ALA A 10 5.015 12.088 -10.500 1.00 33.04 C ATOM 140 O ALA A 10 5.374 13.240 -10.742 1.00 3.32 O ATOM 141 CB ALA A 10 5.827 11.272 -8.279 1.00 72.42 C ATOM 0 H ALA A 10 4.046 9.656 -9.072 1.00 44.54 H new ATOM 0 HA ALA A 10 4.132 12.536 -8.613 1.00 25.24 H new ATOM 0 HB1 ALA A 10 6.542 12.094 -8.264 1.00 72.42 H new ATOM 0 HB2 ALA A 10 5.525 11.035 -7.259 1.00 72.42 H new ATOM 0 HB3 ALA A 10 6.291 10.396 -8.733 1.00 72.42 H new ATOM 147 N LYS A 11 4.959 11.138 -11.427 1.00 43.54 N ATOM 148 CA LYS A 11 5.324 11.401 -12.814 1.00 44.14 C ATOM 149 C LYS A 11 4.126 11.916 -13.604 1.00 54.43 C ATOM 150 O LYS A 11 4.278 12.693 -14.548 1.00 65.33 O ATOM 151 CB LYS A 11 5.872 10.131 -13.469 1.00 32.54 C ATOM 152 CG LYS A 11 7.388 10.045 -13.457 1.00 2.14 C ATOM 153 CD LYS A 11 7.968 10.235 -14.848 1.00 64.31 C ATOM 154 CE LYS A 11 9.357 10.853 -14.793 1.00 60.15 C ATOM 155 NZ LYS A 11 10.409 9.831 -14.537 1.00 4.13 N ATOM 0 H LYS A 11 4.664 10.179 -11.243 1.00 43.54 H new ATOM 0 HA LYS A 11 6.098 12.169 -12.820 1.00 44.14 H new ATOM 0 HB2 LYS A 11 5.463 9.262 -12.954 1.00 32.54 H new ATOM 0 HB3 LYS A 11 5.522 10.084 -14.500 1.00 32.54 H new ATOM 0 HG2 LYS A 11 7.791 10.804 -12.787 1.00 2.14 H new ATOM 0 HG3 LYS A 11 7.695 9.076 -13.063 1.00 2.14 H new ATOM 0 HD2 LYS A 11 8.017 9.273 -15.358 1.00 64.31 H new ATOM 0 HD3 LYS A 11 7.307 10.873 -15.435 1.00 64.31 H new ATOM 0 HE2 LYS A 11 9.566 11.361 -15.734 1.00 60.15 H new ATOM 0 HE3 LYS A 11 9.387 11.609 -14.009 1.00 60.15 H new ATOM 0 HZ1 LYS A 11 11.341 10.292 -14.507 1.00 4.13 H new ATOM 0 HZ2 LYS A 11 10.224 9.363 -13.627 1.00 4.13 H new ATOM 0 HZ3 LYS A 11 10.398 9.123 -15.299 1.00 4.13 H new ATOM 169 N LEU A 12 2.933 11.481 -13.212 1.00 43.22 N ATOM 170 CA LEU A 12 1.707 11.900 -13.883 1.00 24.00 C ATOM 171 C LEU A 12 1.299 13.303 -13.445 1.00 61.11 C ATOM 172 O LEU A 12 0.671 14.042 -14.203 1.00 0.40 O ATOM 173 CB LEU A 12 0.578 10.912 -13.587 1.00 72.11 C ATOM 174 CG LEU A 12 0.422 9.755 -14.575 1.00 1.13 C ATOM 175 CD1 LEU A 12 -0.297 10.219 -15.832 1.00 2.52 C ATOM 176 CD2 LEU A 12 1.781 9.164 -14.923 1.00 14.25 C ATOM 0 H LEU A 12 2.789 10.838 -12.433 1.00 43.22 H new ATOM 0 HA LEU A 12 1.896 11.915 -14.956 1.00 24.00 H new ATOM 0 HB2 LEU A 12 0.738 10.495 -12.593 1.00 72.11 H new ATOM 0 HB3 LEU A 12 -0.361 11.464 -13.554 1.00 72.11 H new ATOM 0 HG LEU A 12 -0.180 8.978 -14.103 1.00 1.13 H new ATOM 0 HD11 LEU A 12 -0.399 9.382 -16.523 1.00 2.52 H new ATOM 0 HD12 LEU A 12 -1.286 10.594 -15.568 1.00 2.52 H new ATOM 0 HD13 LEU A 12 0.277 11.014 -16.307 1.00 2.52 H new ATOM 0 HD21 LEU A 12 1.651 8.342 -15.627 1.00 14.25 H new ATOM 0 HD22 LEU A 12 2.407 9.933 -15.375 1.00 14.25 H new ATOM 0 HD23 LEU A 12 2.259 8.793 -14.017 1.00 14.25 H new ATOM 188 N ASP A 13 1.662 13.663 -12.219 1.00 14.21 N ATOM 189 CA ASP A 13 1.336 14.979 -11.681 1.00 31.11 C ATOM 190 C ASP A 13 1.960 16.083 -12.529 1.00 61.52 C ATOM 191 O ASP A 13 1.572 17.247 -12.434 1.00 33.11 O ATOM 192 CB ASP A 13 1.819 15.096 -10.234 1.00 73.33 C ATOM 193 CG ASP A 13 0.683 15.357 -9.264 1.00 62.23 C ATOM 194 OD1 ASP A 13 0.416 14.482 -8.414 1.00 32.11 O ATOM 195 OD2 ASP A 13 0.063 16.436 -9.355 1.00 14.41 O ATOM 0 H ASP A 13 2.182 13.063 -11.579 1.00 14.21 H new ATOM 0 HA ASP A 13 0.253 15.096 -11.705 1.00 31.11 H new ATOM 0 HB2 ASP A 13 2.332 14.177 -9.950 1.00 73.33 H new ATOM 0 HB3 ASP A 13 2.548 15.903 -10.161 1.00 73.33 H new ATOM 200 N ARG A 14 2.930 15.708 -13.357 1.00 52.44 N ATOM 201 CA ARG A 14 3.609 16.667 -14.221 1.00 23.24 C ATOM 202 C ARG A 14 3.029 16.635 -15.631 1.00 74.04 C ATOM 203 O ARG A 14 3.449 17.395 -16.505 1.00 24.31 O ATOM 204 CB ARG A 14 5.109 16.369 -14.268 1.00 60.21 C ATOM 205 CG ARG A 14 5.964 17.441 -13.613 1.00 41.21 C ATOM 206 CD ARG A 14 7.361 17.483 -14.213 1.00 52.51 C ATOM 207 NE ARG A 14 8.395 17.256 -13.208 1.00 25.12 N ATOM 208 CZ ARG A 14 8.806 18.185 -12.352 1.00 14.31 C ATOM 209 NH1 ARG A 14 8.271 19.398 -12.379 1.00 41.40 N ATOM 210 NH2 ARG A 14 9.752 17.902 -11.466 1.00 71.10 N ATOM 0 H ARG A 14 3.263 14.748 -13.448 1.00 52.44 H new ATOM 0 HA ARG A 14 3.456 17.664 -13.807 1.00 23.24 H new ATOM 0 HB2 ARG A 14 5.297 15.415 -13.775 1.00 60.21 H new ATOM 0 HB3 ARG A 14 5.416 16.256 -15.308 1.00 60.21 H new ATOM 0 HG2 ARG A 14 5.486 18.413 -13.733 1.00 41.21 H new ATOM 0 HG3 ARG A 14 6.032 17.250 -12.542 1.00 41.21 H new ATOM 0 HD2 ARG A 14 7.443 16.727 -14.994 1.00 52.51 H new ATOM 0 HD3 ARG A 14 7.523 18.451 -14.687 1.00 52.51 H new ATOM 0 HE ARG A 14 8.826 16.333 -13.160 1.00 25.12 H new ATOM 0 HH11 ARG A 14 7.543 19.619 -13.058 1.00 41.40 H new ATOM 0 HH12 ARG A 14 8.588 20.110 -11.721 1.00 41.40 H new ATOM 0 HH21 ARG A 14 10.165 16.970 -11.441 1.00 71.10 H new ATOM 0 HH22 ARG A 14 10.066 18.617 -10.810 1.00 71.10 H new ATOM 224 N LEU A 15 2.061 15.751 -15.847 1.00 54.21 N ATOM 225 CA LEU A 15 1.422 15.619 -17.152 1.00 13.40 C ATOM 226 C LEU A 15 -0.023 16.106 -17.103 1.00 1.43 C ATOM 227 O LEU A 15 -0.487 16.797 -18.010 1.00 0.20 O ATOM 228 CB LEU A 15 1.465 14.163 -17.618 1.00 44.34 C ATOM 229 CG LEU A 15 2.716 13.372 -17.233 1.00 12.22 C ATOM 230 CD1 LEU A 15 2.680 11.983 -17.850 1.00 60.22 C ATOM 231 CD2 LEU A 15 3.972 14.117 -17.663 1.00 35.45 C ATOM 0 H LEU A 15 1.701 15.115 -15.135 1.00 54.21 H new ATOM 0 HA LEU A 15 1.971 16.238 -17.862 1.00 13.40 H new ATOM 0 HB2 LEU A 15 0.594 13.647 -17.213 1.00 44.34 H new ATOM 0 HB3 LEU A 15 1.369 14.147 -18.704 1.00 44.34 H new ATOM 0 HG LEU A 15 2.735 13.265 -16.148 1.00 12.22 H new ATOM 0 HD11 LEU A 15 3.578 11.435 -17.565 1.00 60.22 H new ATOM 0 HD12 LEU A 15 1.800 11.449 -17.492 1.00 60.22 H new ATOM 0 HD13 LEU A 15 2.636 12.068 -18.936 1.00 60.22 H new ATOM 0 HD21 LEU A 15 4.852 13.539 -17.381 1.00 35.45 H new ATOM 0 HD22 LEU A 15 3.960 14.256 -18.744 1.00 35.45 H new ATOM 0 HD23 LEU A 15 4.004 15.090 -17.172 1.00 35.45 H new ATOM 243 N ASP A 16 -0.728 15.744 -16.037 1.00 21.42 N ATOM 244 CA ASP A 16 -2.119 16.146 -15.867 1.00 52.21 C ATOM 245 C ASP A 16 -2.937 15.815 -17.112 1.00 25.12 C ATOM 246 O ASP A 16 -3.886 16.522 -17.449 1.00 63.33 O ATOM 247 CB ASP A 16 -2.206 17.644 -15.568 1.00 73.33 C ATOM 248 CG ASP A 16 -1.491 18.021 -14.286 1.00 32.43 C ATOM 249 OD1 ASP A 16 -1.814 17.433 -13.231 1.00 42.45 O ATOM 250 OD2 ASP A 16 -0.608 18.902 -14.336 1.00 54.11 O ATOM 0 H ASP A 16 -0.359 15.172 -15.277 1.00 21.42 H new ATOM 0 HA ASP A 16 -2.532 15.590 -15.025 1.00 52.21 H new ATOM 0 HB2 ASP A 16 -1.775 18.203 -16.399 1.00 73.33 H new ATOM 0 HB3 ASP A 16 -3.253 17.937 -15.496 1.00 73.33 H new ATOM 255 N ALA A 17 -2.560 14.736 -17.791 1.00 13.22 N ATOM 256 CA ALA A 17 -3.259 14.311 -18.997 1.00 63.14 C ATOM 257 C ALA A 17 -4.248 13.191 -18.693 1.00 63.23 C ATOM 258 O ALA A 17 -5.456 13.356 -18.858 1.00 2.22 O ATOM 259 CB ALA A 17 -2.261 13.864 -20.055 1.00 65.50 C ATOM 0 H ALA A 17 -1.775 14.141 -17.526 1.00 13.22 H new ATOM 0 HA ALA A 17 -3.822 15.162 -19.380 1.00 63.14 H new ATOM 0 HB1 ALA A 17 -2.797 13.549 -20.951 1.00 65.50 H new ATOM 0 HB2 ALA A 17 -1.597 14.692 -20.302 1.00 65.50 H new ATOM 0 HB3 ALA A 17 -1.673 13.030 -19.672 1.00 65.50 H new ATOM 265 N GLU A 18 -3.726 12.051 -18.250 1.00 12.23 N ATOM 266 CA GLU A 18 -4.565 10.904 -17.924 1.00 61.45 C ATOM 267 C GLU A 18 -5.065 10.985 -16.485 1.00 3.50 C ATOM 268 O GLU A 18 -6.270 11.033 -16.236 1.00 45.11 O ATOM 269 CB GLU A 18 -3.789 9.601 -18.133 1.00 52.33 C ATOM 270 CG GLU A 18 -4.623 8.352 -17.901 1.00 3.44 C ATOM 271 CD GLU A 18 -5.793 8.245 -18.859 1.00 63.21 C ATOM 272 OE1 GLU A 18 -5.814 8.998 -19.855 1.00 61.12 O ATOM 273 OE2 GLU A 18 -6.687 7.408 -18.614 1.00 3.45 O ATOM 0 H GLU A 18 -2.728 11.898 -18.109 1.00 12.23 H new ATOM 0 HA GLU A 18 -5.427 10.917 -18.590 1.00 61.45 H new ATOM 0 HB2 GLU A 18 -3.396 9.581 -19.149 1.00 52.33 H new ATOM 0 HB3 GLU A 18 -2.932 9.586 -17.459 1.00 52.33 H new ATOM 0 HG2 GLU A 18 -3.989 7.472 -18.008 1.00 3.44 H new ATOM 0 HG3 GLU A 18 -4.996 8.354 -16.877 1.00 3.44 H new ATOM 280 N PHE A 19 -4.130 11.001 -15.540 1.00 71.24 N ATOM 281 CA PHE A 19 -4.474 11.075 -14.125 1.00 54.23 C ATOM 282 C PHE A 19 -5.416 12.245 -13.856 1.00 13.14 C ATOM 283 O PHE A 19 -6.200 12.219 -12.908 1.00 34.55 O ATOM 284 CB PHE A 19 -3.209 11.219 -13.278 1.00 22.24 C ATOM 285 CG PHE A 19 -2.696 9.913 -12.739 1.00 54.55 C ATOM 286 CD1 PHE A 19 -2.672 8.781 -13.538 1.00 13.41 C ATOM 287 CD2 PHE A 19 -2.239 9.818 -11.435 1.00 14.41 C ATOM 288 CE1 PHE A 19 -2.201 7.579 -13.046 1.00 71.30 C ATOM 289 CE2 PHE A 19 -1.767 8.619 -10.938 1.00 23.34 C ATOM 290 CZ PHE A 19 -1.749 7.497 -11.744 1.00 3.23 C ATOM 0 H PHE A 19 -3.128 10.964 -15.729 1.00 71.24 H new ATOM 0 HA PHE A 19 -4.983 10.151 -13.851 1.00 54.23 H new ATOM 0 HB2 PHE A 19 -2.429 11.686 -13.880 1.00 22.24 H new ATOM 0 HB3 PHE A 19 -3.414 11.891 -12.445 1.00 22.24 H new ATOM 0 HD1 PHE A 19 -3.025 8.839 -14.557 1.00 13.41 H new ATOM 0 HD2 PHE A 19 -2.252 10.691 -10.800 1.00 14.41 H new ATOM 0 HE1 PHE A 19 -2.186 6.704 -13.679 1.00 71.30 H new ATOM 0 HE2 PHE A 19 -1.412 8.558 -9.920 1.00 23.34 H new ATOM 0 HZ PHE A 19 -1.382 6.558 -11.356 1.00 3.23 H new ATOM 300 N ALA A 20 -5.332 13.271 -14.696 1.00 62.12 N ATOM 301 CA ALA A 20 -6.177 14.450 -14.550 1.00 64.33 C ATOM 302 C ALA A 20 -7.606 14.159 -14.994 1.00 72.02 C ATOM 303 O ALA A 20 -8.564 14.661 -14.406 1.00 54.14 O ATOM 304 CB ALA A 20 -5.601 15.613 -15.345 1.00 34.13 C ATOM 0 H ALA A 20 -4.687 13.310 -15.485 1.00 62.12 H new ATOM 0 HA ALA A 20 -6.201 14.722 -13.495 1.00 64.33 H new ATOM 0 HB1 ALA A 20 -6.242 16.487 -15.227 1.00 34.13 H new ATOM 0 HB2 ALA A 20 -4.601 15.844 -14.979 1.00 34.13 H new ATOM 0 HB3 ALA A 20 -5.547 15.342 -16.399 1.00 34.13 H new ATOM 310 N LYS A 21 -7.743 13.346 -16.036 1.00 34.41 N ATOM 311 CA LYS A 21 -9.056 12.987 -16.559 1.00 71.24 C ATOM 312 C LYS A 21 -9.647 11.812 -15.787 1.00 73.21 C ATOM 313 O LYS A 21 -10.862 11.613 -15.773 1.00 72.55 O ATOM 314 CB LYS A 21 -8.957 12.636 -18.046 1.00 23.34 C ATOM 315 CG LYS A 21 -9.080 13.839 -18.964 1.00 60.14 C ATOM 316 CD LYS A 21 -10.533 14.223 -19.188 1.00 0.31 C ATOM 317 CE LYS A 21 -10.893 15.500 -18.443 1.00 23.41 C ATOM 318 NZ LYS A 21 -12.273 15.447 -17.886 1.00 61.42 N ATOM 0 H LYS A 21 -6.960 12.923 -16.535 1.00 34.41 H new ATOM 0 HA LYS A 21 -9.715 13.847 -16.438 1.00 71.24 H new ATOM 0 HB2 LYS A 21 -8.002 12.144 -18.232 1.00 23.34 H new ATOM 0 HB3 LYS A 21 -9.739 11.919 -18.294 1.00 23.34 H new ATOM 0 HG2 LYS A 21 -8.542 14.683 -18.533 1.00 60.14 H new ATOM 0 HG3 LYS A 21 -8.610 13.617 -19.922 1.00 60.14 H new ATOM 0 HD2 LYS A 21 -10.714 14.359 -20.254 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.180 13.412 -18.855 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -10.181 15.661 -17.634 1.00 23.41 H new ATOM 0 HE3 LYS A 21 -10.806 16.351 -19.118 1.00 23.41 H new ATOM 0 HZ1 LYS A 21 -12.480 16.335 -17.386 1.00 61.42 H new ATOM 0 HZ2 LYS A 21 -12.955 15.318 -18.660 1.00 61.42 H new ATOM 0 HZ3 LYS A 21 -12.349 14.650 -17.222 1.00 61.42 H new ATOM 332 N LYS A 22 -8.781 11.037 -15.144 1.00 21.33 N ATOM 333 CA LYS A 22 -9.217 9.883 -14.366 1.00 63.32 C ATOM 334 C LYS A 22 -9.702 10.309 -12.984 1.00 43.34 C ATOM 335 O LYS A 22 -10.703 9.799 -12.483 1.00 22.40 O ATOM 336 CB LYS A 22 -8.074 8.874 -14.228 1.00 71.13 C ATOM 337 CG LYS A 22 -8.456 7.463 -14.641 1.00 23.33 C ATOM 338 CD LYS A 22 -8.685 6.571 -13.432 1.00 3.23 C ATOM 339 CE LYS A 22 -9.642 5.433 -13.752 1.00 0.34 C ATOM 340 NZ LYS A 22 -10.200 4.814 -12.517 1.00 44.05 N ATOM 0 H LYS A 22 -7.772 11.187 -15.146 1.00 21.33 H new ATOM 0 HA LYS A 22 -10.047 9.414 -14.894 1.00 63.32 H new ATOM 0 HB2 LYS A 22 -7.232 9.206 -14.835 1.00 71.13 H new ATOM 0 HB3 LYS A 22 -7.735 8.861 -13.192 1.00 71.13 H new ATOM 0 HG2 LYS A 22 -9.360 7.493 -15.249 1.00 23.33 H new ATOM 0 HG3 LYS A 22 -7.668 7.039 -15.263 1.00 23.33 H new ATOM 0 HD2 LYS A 22 -7.732 6.163 -13.094 1.00 3.23 H new ATOM 0 HD3 LYS A 22 -9.086 7.165 -12.611 1.00 3.23 H new ATOM 0 HE2 LYS A 22 -10.457 5.807 -14.371 1.00 0.34 H new ATOM 0 HE3 LYS A 22 -9.121 4.674 -14.336 1.00 0.34 H new ATOM 0 HZ1 LYS A 22 -10.847 4.043 -12.777 1.00 44.05 H new ATOM 0 HZ2 LYS A 22 -9.424 4.434 -11.938 1.00 44.05 H new ATOM 0 HZ3 LYS A 22 -10.719 5.532 -11.972 1.00 44.05 H new ATOM 354 N MET A 23 -8.986 11.249 -12.375 1.00 52.12 N ATOM 355 CA MET A 23 -9.346 11.746 -11.052 1.00 74.22 C ATOM 356 C MET A 23 -10.765 12.306 -11.050 1.00 10.34 C ATOM 357 O MET A 23 -11.472 12.223 -10.046 1.00 75.03 O ATOM 358 CB MET A 23 -8.359 12.824 -10.602 1.00 44.05 C ATOM 359 CG MET A 23 -7.498 12.405 -9.421 1.00 52.53 C ATOM 360 SD MET A 23 -6.059 11.439 -9.918 1.00 74.01 S ATOM 361 CE MET A 23 -6.823 9.862 -10.289 1.00 24.54 C ATOM 0 H MET A 23 -8.154 11.681 -12.776 1.00 52.12 H new ATOM 0 HA MET A 23 -9.303 10.911 -10.353 1.00 74.22 H new ATOM 0 HB2 MET A 23 -7.711 13.084 -11.439 1.00 44.05 H new ATOM 0 HB3 MET A 23 -8.913 13.724 -10.336 1.00 44.05 H new ATOM 0 HG2 MET A 23 -7.166 13.294 -8.885 1.00 52.53 H new ATOM 0 HG3 MET A 23 -8.101 11.820 -8.726 1.00 52.53 H new ATOM 0 HE1 MET A 23 -6.064 9.079 -10.281 1.00 24.54 H new ATOM 0 HE2 MET A 23 -7.582 9.640 -9.538 1.00 24.54 H new ATOM 0 HE3 MET A 23 -7.289 9.906 -11.274 1.00 24.54 H new ATOM 371 N GLU A 24 -11.173 12.877 -12.179 1.00 12.23 N ATOM 372 CA GLU A 24 -12.507 13.452 -12.304 1.00 54.13 C ATOM 373 C GLU A 24 -13.580 12.406 -12.016 1.00 71.20 C ATOM 374 O GLU A 24 -14.422 12.591 -11.138 1.00 3.32 O ATOM 375 CB GLU A 24 -12.708 14.031 -13.707 1.00 24.25 C ATOM 376 CG GLU A 24 -13.789 15.095 -13.777 1.00 15.41 C ATOM 377 CD GLU A 24 -14.954 14.687 -14.658 1.00 64.25 C ATOM 378 OE1 GLU A 24 -15.306 15.463 -15.572 1.00 33.45 O ATOM 379 OE2 GLU A 24 -15.512 13.592 -14.436 1.00 3.33 O ATOM 0 H GLU A 24 -10.600 12.954 -13.019 1.00 12.23 H new ATOM 0 HA GLU A 24 -12.599 14.253 -11.571 1.00 54.13 H new ATOM 0 HB2 GLU A 24 -11.767 14.458 -14.053 1.00 24.25 H new ATOM 0 HB3 GLU A 24 -12.962 13.222 -14.392 1.00 24.25 H new ATOM 0 HG2 GLU A 24 -14.154 15.303 -12.771 1.00 15.41 H new ATOM 0 HG3 GLU A 24 -13.358 16.021 -14.157 1.00 15.41 H new ATOM 386 N GLU A 25 -13.542 11.307 -12.763 1.00 33.30 N ATOM 387 CA GLU A 25 -14.512 10.232 -12.589 1.00 20.35 C ATOM 388 C GLU A 25 -14.070 9.274 -11.485 1.00 52.34 C ATOM 389 O GLU A 25 -14.762 8.303 -11.179 1.00 44.43 O ATOM 390 CB GLU A 25 -14.698 9.465 -13.900 1.00 14.33 C ATOM 391 CG GLU A 25 -16.018 9.758 -14.593 1.00 72.13 C ATOM 392 CD GLU A 25 -16.209 8.937 -15.854 1.00 52.20 C ATOM 393 OE1 GLU A 25 -16.383 9.541 -16.933 1.00 73.04 O ATOM 394 OE2 GLU A 25 -16.185 7.692 -15.762 1.00 1.34 O ATOM 0 H GLU A 25 -12.851 11.138 -13.494 1.00 33.30 H new ATOM 0 HA GLU A 25 -15.463 10.679 -12.300 1.00 20.35 H new ATOM 0 HB2 GLU A 25 -13.879 9.713 -14.576 1.00 14.33 H new ATOM 0 HB3 GLU A 25 -14.632 8.396 -13.698 1.00 14.33 H new ATOM 0 HG2 GLU A 25 -16.838 9.556 -13.904 1.00 72.13 H new ATOM 0 HG3 GLU A 25 -16.066 10.818 -14.843 1.00 72.13 H new ATOM 401 N GLN A 26 -12.914 9.556 -10.894 1.00 21.14 N ATOM 402 CA GLN A 26 -12.379 8.719 -9.826 1.00 11.32 C ATOM 403 C GLN A 26 -13.308 8.721 -8.616 1.00 61.01 C ATOM 404 O GLN A 26 -13.483 7.699 -7.955 1.00 21.44 O ATOM 405 CB GLN A 26 -10.988 9.206 -9.416 1.00 61.22 C ATOM 406 CG GLN A 26 -10.326 8.336 -8.360 1.00 2.01 C ATOM 407 CD GLN A 26 -9.944 6.967 -8.887 1.00 34.44 C ATOM 408 OE1 GLN A 26 -9.143 6.846 -9.813 1.00 43.55 O ATOM 409 NE2 GLN A 26 -10.518 5.924 -8.297 1.00 11.31 N ATOM 0 H GLN A 26 -12.330 10.357 -11.136 1.00 21.14 H new ATOM 0 HA GLN A 26 -12.303 7.699 -10.202 1.00 11.32 H new ATOM 0 HB2 GLN A 26 -10.349 9.241 -10.299 1.00 61.22 H new ATOM 0 HB3 GLN A 26 -11.066 10.226 -9.038 1.00 61.22 H new ATOM 0 HG2 GLN A 26 -9.434 8.839 -7.987 1.00 2.01 H new ATOM 0 HG3 GLN A 26 -11.003 8.219 -7.514 1.00 2.01 H new ATOM 0 HE21 GLN A 26 -11.177 6.070 -7.532 1.00 11.31 H new ATOM 0 HE22 GLN A 26 -10.300 4.978 -8.609 1.00 11.31 H new ATOM 418 N ASN A 27 -13.901 9.876 -8.333 1.00 5.42 N ATOM 419 CA ASN A 27 -14.811 10.011 -7.202 1.00 10.24 C ATOM 420 C ASN A 27 -15.886 8.929 -7.236 1.00 63.22 C ATOM 421 O ASN A 27 -16.350 8.466 -6.194 1.00 75.24 O ATOM 422 CB ASN A 27 -15.464 11.395 -7.208 1.00 74.31 C ATOM 423 CG ASN A 27 -16.396 11.600 -6.029 1.00 73.53 C ATOM 424 OD1 ASN A 27 -15.951 11.788 -4.897 1.00 41.22 O ATOM 425 ND2 ASN A 27 -17.698 11.563 -6.291 1.00 23.12 N ATOM 0 H ASN A 27 -13.768 10.732 -8.871 1.00 5.42 H new ATOM 0 HA ASN A 27 -14.232 9.894 -6.286 1.00 10.24 H new ATOM 0 HB2 ASN A 27 -14.688 12.160 -7.191 1.00 74.31 H new ATOM 0 HB3 ASN A 27 -16.021 11.527 -8.135 1.00 74.31 H new ATOM 0 HD21 ASN A 27 -18.374 11.693 -5.538 1.00 23.12 H new ATOM 0 HD22 ASN A 27 -18.022 11.404 -7.245 1.00 23.12 H new ATOM 432 N LYS A 28 -16.276 8.529 -8.442 1.00 30.23 N ATOM 433 CA LYS A 28 -17.294 7.500 -8.614 1.00 73.53 C ATOM 434 C LYS A 28 -16.682 6.106 -8.515 1.00 44.15 C ATOM 435 O LYS A 28 -17.159 5.260 -7.759 1.00 3.55 O ATOM 436 CB LYS A 28 -17.993 7.666 -9.965 1.00 53.24 C ATOM 437 CG LYS A 28 -18.939 8.853 -10.019 1.00 12.45 C ATOM 438 CD LYS A 28 -19.113 9.365 -11.439 1.00 2.13 C ATOM 439 CE LYS A 28 -20.353 10.236 -11.570 1.00 2.13 C ATOM 440 NZ LYS A 28 -20.596 10.647 -12.980 1.00 65.13 N ATOM 0 H LYS A 28 -15.902 8.902 -9.315 1.00 30.23 H new ATOM 0 HA LYS A 28 -18.027 7.613 -7.815 1.00 73.53 H new ATOM 0 HB2 LYS A 28 -17.238 7.778 -10.744 1.00 53.24 H new ATOM 0 HB3 LYS A 28 -18.551 6.757 -10.190 1.00 53.24 H new ATOM 0 HG2 LYS A 28 -19.909 8.565 -9.614 1.00 12.45 H new ATOM 0 HG3 LYS A 28 -18.555 9.654 -9.387 1.00 12.45 H new ATOM 0 HD2 LYS A 28 -18.233 9.938 -11.731 1.00 2.13 H new ATOM 0 HD3 LYS A 28 -19.186 8.521 -12.125 1.00 2.13 H new ATOM 0 HE2 LYS A 28 -21.220 9.692 -11.196 1.00 2.13 H new ATOM 0 HE3 LYS A 28 -20.241 11.124 -10.947 1.00 2.13 H new ATOM 0 HZ1 LYS A 28 -21.450 11.239 -13.027 1.00 65.13 H new ATOM 0 HZ2 LYS A 28 -19.780 11.188 -13.329 1.00 65.13 H new ATOM 0 HZ3 LYS A 28 -20.729 9.801 -13.570 1.00 65.13 H new ATOM 454 N ARG A 29 -15.622 5.875 -9.284 1.00 31.35 N ATOM 455 CA ARG A 29 -14.944 4.584 -9.282 1.00 35.23 C ATOM 456 C ARG A 29 -14.447 4.233 -7.882 1.00 71.25 C ATOM 457 O ARG A 29 -14.219 3.065 -7.568 1.00 64.53 O ATOM 458 CB ARG A 29 -13.771 4.598 -10.263 1.00 1.40 C ATOM 459 CG ARG A 29 -13.476 3.241 -10.880 1.00 52.13 C ATOM 460 CD ARG A 29 -12.150 2.682 -10.389 1.00 33.32 C ATOM 461 NE ARG A 29 -11.952 1.297 -10.808 1.00 24.23 N ATOM 462 CZ ARG A 29 -11.031 0.495 -10.284 1.00 2.43 C ATOM 463 NH1 ARG A 29 -10.229 0.939 -9.326 1.00 22.03 N ATOM 464 NH2 ARG A 29 -10.911 -0.753 -10.718 1.00 13.22 N ATOM 0 H ARG A 29 -15.215 6.565 -9.916 1.00 31.35 H new ATOM 0 HA ARG A 29 -15.661 3.825 -9.595 1.00 35.23 H new ATOM 0 HB2 ARG A 29 -13.983 5.311 -11.059 1.00 1.40 H new ATOM 0 HB3 ARG A 29 -12.880 4.954 -9.746 1.00 1.40 H new ATOM 0 HG2 ARG A 29 -14.279 2.546 -10.634 1.00 52.13 H new ATOM 0 HG3 ARG A 29 -13.454 3.331 -11.966 1.00 52.13 H new ATOM 0 HD2 ARG A 29 -11.334 3.296 -10.770 1.00 33.32 H new ATOM 0 HD3 ARG A 29 -12.112 2.741 -9.301 1.00 33.32 H new ATOM 0 HE ARG A 29 -12.553 0.925 -11.543 1.00 24.23 H new ATOM 0 HH11 ARG A 29 -10.318 1.898 -8.990 1.00 22.03 H new ATOM 0 HH12 ARG A 29 -9.523 0.322 -8.925 1.00 22.03 H new ATOM 0 HH21 ARG A 29 -11.526 -1.098 -11.455 1.00 13.22 H new ATOM 0 HH22 ARG A 29 -10.204 -1.367 -10.315 1.00 13.22 H new ATOM 478 N PHE A 30 -14.281 5.252 -7.046 1.00 51.12 N ATOM 479 CA PHE A 30 -13.809 5.052 -5.681 1.00 33.10 C ATOM 480 C PHE A 30 -14.833 4.273 -4.861 1.00 31.25 C ATOM 481 O PHE A 30 -14.477 3.390 -4.080 1.00 35.50 O ATOM 482 CB PHE A 30 -13.524 6.399 -5.015 1.00 1.44 C ATOM 483 CG PHE A 30 -13.222 6.290 -3.547 1.00 44.54 C ATOM 484 CD1 PHE A 30 -14.054 6.880 -2.609 1.00 70.54 C ATOM 485 CD2 PHE A 30 -12.105 5.599 -3.106 1.00 44.52 C ATOM 486 CE1 PHE A 30 -13.779 6.781 -1.258 1.00 60.14 C ATOM 487 CE2 PHE A 30 -11.825 5.497 -1.757 1.00 3.13 C ATOM 488 CZ PHE A 30 -12.662 6.090 -0.832 1.00 31.43 C ATOM 0 H PHE A 30 -14.466 6.225 -7.290 1.00 51.12 H new ATOM 0 HA PHE A 30 -12.886 4.473 -5.723 1.00 33.10 H new ATOM 0 HB2 PHE A 30 -12.680 6.872 -5.517 1.00 1.44 H new ATOM 0 HB3 PHE A 30 -14.385 7.053 -5.153 1.00 1.44 H new ATOM 0 HD1 PHE A 30 -14.928 7.424 -2.937 1.00 70.54 H new ATOM 0 HD2 PHE A 30 -11.446 5.135 -3.825 1.00 44.52 H new ATOM 0 HE1 PHE A 30 -14.437 7.243 -0.537 1.00 60.14 H new ATOM 0 HE2 PHE A 30 -10.952 4.954 -1.426 1.00 3.13 H new ATOM 0 HZ PHE A 30 -12.443 6.013 0.223 1.00 31.43 H new ATOM 498 N PHE A 31 -16.106 4.607 -5.043 1.00 34.12 N ATOM 499 CA PHE A 31 -17.183 3.941 -4.319 1.00 62.40 C ATOM 500 C PHE A 31 -17.228 2.454 -4.659 1.00 23.31 C ATOM 501 O PHE A 31 -17.843 1.661 -3.946 1.00 1.50 O ATOM 502 CB PHE A 31 -18.527 4.592 -4.649 1.00 75.44 C ATOM 503 CG PHE A 31 -19.663 4.081 -3.810 1.00 32.51 C ATOM 504 CD1 PHE A 31 -19.934 4.640 -2.572 1.00 3.43 C ATOM 505 CD2 PHE A 31 -20.460 3.040 -4.259 1.00 32.32 C ATOM 506 CE1 PHE A 31 -20.978 4.173 -1.797 1.00 33.32 C ATOM 507 CE2 PHE A 31 -21.506 2.568 -3.489 1.00 14.24 C ATOM 508 CZ PHE A 31 -21.765 3.134 -2.256 1.00 10.44 C ATOM 0 H PHE A 31 -16.418 5.335 -5.686 1.00 34.12 H new ATOM 0 HA PHE A 31 -16.989 4.046 -3.252 1.00 62.40 H new ATOM 0 HB2 PHE A 31 -18.442 5.670 -4.514 1.00 75.44 H new ATOM 0 HB3 PHE A 31 -18.756 4.420 -5.701 1.00 75.44 H new ATOM 0 HD1 PHE A 31 -19.321 5.451 -2.208 1.00 3.43 H new ATOM 0 HD2 PHE A 31 -20.261 2.592 -5.222 1.00 32.32 H new ATOM 0 HE1 PHE A 31 -21.179 4.619 -0.834 1.00 33.32 H new ATOM 0 HE2 PHE A 31 -22.121 1.757 -3.851 1.00 14.24 H new ATOM 0 HZ PHE A 31 -22.581 2.765 -1.652 1.00 10.44 H new ATOM 518 N ALA A 32 -16.572 2.083 -5.754 1.00 4.04 N ATOM 519 CA ALA A 32 -16.535 0.692 -6.188 1.00 42.20 C ATOM 520 C ALA A 32 -15.163 0.075 -5.939 1.00 3.32 C ATOM 521 O ALA A 32 -15.033 -1.142 -5.808 1.00 73.02 O ATOM 522 CB ALA A 32 -16.902 0.589 -7.661 1.00 12.41 C ATOM 0 H ALA A 32 -16.059 2.727 -6.357 1.00 4.04 H new ATOM 0 HA ALA A 32 -17.266 0.135 -5.602 1.00 42.20 H new ATOM 0 HB1 ALA A 32 -16.870 -0.455 -7.972 1.00 12.41 H new ATOM 0 HB2 ALA A 32 -17.907 0.983 -7.814 1.00 12.41 H new ATOM 0 HB3 ALA A 32 -16.192 1.166 -8.254 1.00 12.41 H new ATOM 528 N ASP A 33 -14.141 0.922 -5.875 1.00 13.31 N ATOM 529 CA ASP A 33 -12.778 0.460 -5.641 1.00 71.10 C ATOM 530 C ASP A 33 -12.531 0.228 -4.154 1.00 5.43 C ATOM 531 O ASP A 33 -11.427 -0.136 -3.746 1.00 13.51 O ATOM 532 CB ASP A 33 -11.772 1.475 -6.186 1.00 71.33 C ATOM 533 CG ASP A 33 -11.171 2.338 -5.095 1.00 15.43 C ATOM 534 OD1 ASP A 33 -9.927 2.409 -5.010 1.00 72.43 O ATOM 535 OD2 ASP A 33 -11.946 2.945 -4.325 1.00 65.12 O ATOM 0 H ASP A 33 -14.231 1.932 -5.982 1.00 13.31 H new ATOM 0 HA ASP A 33 -12.646 -0.487 -6.165 1.00 71.10 H new ATOM 0 HB2 ASP A 33 -10.974 0.947 -6.708 1.00 71.33 H new ATOM 0 HB3 ASP A 33 -12.265 2.113 -6.919 1.00 71.33 H new ATOM 540 N LYS A 34 -13.564 0.443 -3.347 1.00 31.23 N ATOM 541 CA LYS A 34 -13.460 0.258 -1.904 1.00 74.21 C ATOM 542 C LYS A 34 -12.855 -1.102 -1.572 1.00 62.32 C ATOM 543 O LYS A 34 -12.839 -2.019 -2.394 1.00 12.11 O ATOM 544 CB LYS A 34 -14.839 0.387 -1.252 1.00 61.12 C ATOM 545 CG LYS A 34 -15.058 1.716 -0.551 1.00 1.05 C ATOM 546 CD LYS A 34 -16.495 2.190 -0.689 1.00 61.24 C ATOM 547 CE LYS A 34 -17.337 1.773 0.507 1.00 52.33 C ATOM 548 NZ LYS A 34 -18.394 0.795 0.127 1.00 24.33 N ATOM 0 H LYS A 34 -14.484 0.746 -3.668 1.00 31.23 H new ATOM 0 HA LYS A 34 -12.804 1.034 -1.510 1.00 74.21 H new ATOM 0 HB2 LYS A 34 -15.606 0.258 -2.015 1.00 61.12 H new ATOM 0 HB3 LYS A 34 -14.968 -0.420 -0.531 1.00 61.12 H new ATOM 0 HG2 LYS A 34 -14.807 1.617 0.505 1.00 1.05 H new ATOM 0 HG3 LYS A 34 -14.385 2.464 -0.970 1.00 1.05 H new ATOM 0 HD2 LYS A 34 -16.513 3.275 -0.787 1.00 61.24 H new ATOM 0 HD3 LYS A 34 -16.928 1.780 -1.601 1.00 61.24 H new ATOM 0 HE2 LYS A 34 -16.693 1.334 1.269 1.00 52.33 H new ATOM 0 HE3 LYS A 34 -17.800 2.655 0.950 1.00 52.33 H new ATOM 0 HZ1 LYS A 34 -18.946 0.536 0.969 1.00 24.33 H new ATOM 0 HZ2 LYS A 34 -19.024 1.222 -0.582 1.00 24.33 H new ATOM 0 HZ3 LYS A 34 -17.951 -0.057 -0.272 1.00 24.33 H new ATOM 562 N PRO A 35 -12.345 -1.239 -0.339 1.00 70.01 N ATOM 563 CA PRO A 35 -11.731 -2.485 0.130 1.00 41.30 C ATOM 564 C PRO A 35 -12.754 -3.599 0.323 1.00 12.53 C ATOM 565 O PRO A 35 -13.144 -3.908 1.449 1.00 10.35 O ATOM 566 CB PRO A 35 -11.110 -2.090 1.472 1.00 24.43 C ATOM 567 CG PRO A 35 -11.916 -0.926 1.935 1.00 22.45 C ATOM 568 CD PRO A 35 -12.329 -0.188 0.692 1.00 34.24 C ATOM 0 HA PRO A 35 -11.013 -2.881 -0.588 1.00 41.30 H new ATOM 0 HB2 PRO A 35 -11.155 -2.912 2.186 1.00 24.43 H new ATOM 0 HB3 PRO A 35 -10.059 -1.824 1.359 1.00 24.43 H new ATOM 0 HG2 PRO A 35 -12.787 -1.255 2.501 1.00 22.45 H new ATOM 0 HG3 PRO A 35 -11.332 -0.284 2.594 1.00 22.45 H new ATOM 0 HD2 PRO A 35 -13.308 0.277 0.807 1.00 34.24 H new ATOM 0 HD3 PRO A 35 -11.626 0.607 0.444 1.00 34.24 H new ATOM 576 N ASP A 36 -13.185 -4.198 -0.781 1.00 50.11 N ATOM 577 CA ASP A 36 -14.162 -5.279 -0.733 1.00 34.23 C ATOM 578 C ASP A 36 -13.629 -6.525 -1.433 1.00 31.45 C ATOM 579 O ASP A 36 -13.641 -7.618 -0.867 1.00 64.34 O ATOM 580 CB ASP A 36 -15.476 -4.838 -1.381 1.00 5.32 C ATOM 581 CG ASP A 36 -16.686 -5.473 -0.726 1.00 55.21 C ATOM 582 OD1 ASP A 36 -17.017 -6.624 -1.079 1.00 63.54 O ATOM 583 OD2 ASP A 36 -17.304 -4.819 0.140 1.00 5.31 O ATOM 0 H ASP A 36 -12.873 -3.953 -1.721 1.00 50.11 H new ATOM 0 HA ASP A 36 -14.346 -5.522 0.313 1.00 34.23 H new ATOM 0 HB2 ASP A 36 -15.561 -3.753 -1.321 1.00 5.32 H new ATOM 0 HB3 ASP A 36 -15.461 -5.098 -2.439 1.00 5.32 H new ATOM 588 N GLU A 37 -13.164 -6.352 -2.666 1.00 22.13 N ATOM 589 CA GLU A 37 -12.628 -7.464 -3.443 1.00 13.14 C ATOM 590 C GLU A 37 -11.154 -7.241 -3.767 1.00 1.12 C ATOM 591 O GLU A 37 -10.407 -8.192 -3.996 1.00 13.20 O ATOM 592 CB GLU A 37 -13.425 -7.641 -4.737 1.00 32.22 C ATOM 593 CG GLU A 37 -14.907 -7.892 -4.510 1.00 5.10 C ATOM 594 CD GLU A 37 -15.167 -9.129 -3.673 1.00 73.33 C ATOM 595 OE1 GLU A 37 -15.016 -10.248 -4.207 1.00 73.31 O ATOM 596 OE2 GLU A 37 -15.522 -8.979 -2.486 1.00 34.24 O ATOM 0 H GLU A 37 -13.147 -5.453 -3.148 1.00 22.13 H new ATOM 0 HA GLU A 37 -12.717 -8.370 -2.843 1.00 13.14 H new ATOM 0 HB2 GLU A 37 -13.306 -6.749 -5.352 1.00 32.22 H new ATOM 0 HB3 GLU A 37 -13.006 -8.475 -5.301 1.00 32.22 H new ATOM 0 HG2 GLU A 37 -15.347 -7.025 -4.017 1.00 5.10 H new ATOM 0 HG3 GLU A 37 -15.406 -7.998 -5.473 1.00 5.10 H new ATOM 603 N ALA A 38 -10.743 -5.977 -3.784 1.00 64.33 N ATOM 604 CA ALA A 38 -9.358 -5.629 -4.079 1.00 12.43 C ATOM 605 C ALA A 38 -8.528 -5.551 -2.802 1.00 13.32 C ATOM 606 O ALA A 38 -7.298 -5.539 -2.848 1.00 23.11 O ATOM 607 CB ALA A 38 -9.295 -4.309 -4.833 1.00 14.43 C ATOM 0 H ALA A 38 -11.349 -5.178 -3.597 1.00 64.33 H new ATOM 0 HA ALA A 38 -8.938 -6.414 -4.707 1.00 12.43 H new ATOM 0 HB1 ALA A 38 -8.255 -4.061 -5.047 1.00 14.43 H new ATOM 0 HB2 ALA A 38 -9.847 -4.398 -5.769 1.00 14.43 H new ATOM 0 HB3 ALA A 38 -9.738 -3.521 -4.224 1.00 14.43 H new ATOM 613 N THR A 39 -9.209 -5.497 -1.661 1.00 52.32 N ATOM 614 CA THR A 39 -8.535 -5.418 -0.372 1.00 1.24 C ATOM 615 C THR A 39 -7.298 -4.530 -0.451 1.00 72.01 C ATOM 616 O THR A 39 -6.245 -4.865 0.092 1.00 64.53 O ATOM 617 CB THR A 39 -8.120 -6.813 0.132 1.00 64.25 C ATOM 618 OG1 THR A 39 -7.501 -6.706 1.418 1.00 3.13 O ATOM 619 CG2 THR A 39 -7.160 -7.477 -0.845 1.00 0.14 C ATOM 0 H THR A 39 -10.227 -5.507 -1.604 1.00 52.32 H new ATOM 0 HA THR A 39 -9.247 -4.983 0.330 1.00 1.24 H new ATOM 0 HB THR A 39 -9.017 -7.428 0.212 1.00 64.25 H new ATOM 0 HG1 THR A 39 -6.684 -6.170 1.344 1.00 3.13 H new ATOM 0 HG21 THR A 39 -6.880 -8.461 -0.468 1.00 0.14 H new ATOM 0 HG22 THR A 39 -7.645 -7.584 -1.815 1.00 0.14 H new ATOM 0 HG23 THR A 39 -6.266 -6.862 -0.952 1.00 0.14 H new ATOM 627 N LEU A 40 -7.433 -3.396 -1.130 1.00 24.03 N ATOM 628 CA LEU A 40 -6.325 -2.458 -1.280 1.00 32.34 C ATOM 629 C LEU A 40 -6.320 -1.437 -0.147 1.00 5.21 C ATOM 630 O LEU A 40 -7.349 -1.182 0.478 1.00 71.20 O ATOM 631 CB LEU A 40 -6.417 -1.741 -2.628 1.00 31.32 C ATOM 632 CG LEU A 40 -5.134 -1.072 -3.121 1.00 1.44 C ATOM 633 CD1 LEU A 40 -4.179 -2.106 -3.695 1.00 43.04 C ATOM 634 CD2 LEU A 40 -5.454 -0.004 -4.157 1.00 64.10 C ATOM 0 H LEU A 40 -8.298 -3.104 -1.585 1.00 24.03 H new ATOM 0 HA LEU A 40 -5.394 -3.023 -1.239 1.00 32.34 H new ATOM 0 HB2 LEU A 40 -6.739 -2.462 -3.379 1.00 31.32 H new ATOM 0 HB3 LEU A 40 -7.196 -0.982 -2.561 1.00 31.32 H new ATOM 0 HG LEU A 40 -4.648 -0.592 -2.272 1.00 1.44 H new ATOM 0 HD11 LEU A 40 -3.272 -1.611 -4.041 1.00 43.04 H new ATOM 0 HD12 LEU A 40 -3.924 -2.833 -2.924 1.00 43.04 H new ATOM 0 HD13 LEU A 40 -4.655 -2.616 -4.532 1.00 43.04 H new ATOM 0 HD21 LEU A 40 -4.529 0.462 -4.497 1.00 64.10 H new ATOM 0 HD22 LEU A 40 -5.963 -0.461 -5.005 1.00 64.10 H new ATOM 0 HD23 LEU A 40 -6.099 0.753 -3.712 1.00 64.10 H new ATOM 646 N SER A 41 -5.154 -0.853 0.111 1.00 65.01 N ATOM 647 CA SER A 41 -5.013 0.140 1.169 1.00 13.04 C ATOM 648 C SER A 41 -5.195 1.551 0.618 1.00 31.02 C ATOM 649 O SER A 41 -5.191 1.777 -0.592 1.00 15.50 O ATOM 650 CB SER A 41 -3.643 0.014 1.838 1.00 42.03 C ATOM 651 OG SER A 41 -2.961 -1.145 1.389 1.00 14.23 O ATOM 0 H SER A 41 -4.293 -1.051 -0.399 1.00 65.01 H new ATOM 0 HA SER A 41 -5.790 -0.044 1.911 1.00 13.04 H new ATOM 0 HB2 SER A 41 -3.045 0.899 1.620 1.00 42.03 H new ATOM 0 HB3 SER A 41 -3.766 -0.029 2.920 1.00 42.03 H new ATOM 0 HG SER A 41 -2.088 -1.202 1.830 1.00 14.23 H new ATOM 657 N PRO A 42 -5.358 2.524 1.527 1.00 33.20 N ATOM 658 CA PRO A 42 -5.544 3.930 1.157 1.00 73.03 C ATOM 659 C PRO A 42 -4.277 4.549 0.577 1.00 10.32 C ATOM 660 O PRO A 42 -4.209 5.759 0.364 1.00 41.22 O ATOM 661 CB PRO A 42 -5.909 4.601 2.483 1.00 20.13 C ATOM 662 CG PRO A 42 -5.306 3.727 3.528 1.00 4.12 C ATOM 663 CD PRO A 42 -5.373 2.326 2.986 1.00 13.21 C ATOM 0 HA PRO A 42 -6.300 4.051 0.381 1.00 73.03 H new ATOM 0 HB2 PRO A 42 -5.511 5.614 2.537 1.00 20.13 H new ATOM 0 HB3 PRO A 42 -6.990 4.676 2.605 1.00 20.13 H new ATOM 0 HG2 PRO A 42 -4.275 4.017 3.732 1.00 4.12 H new ATOM 0 HG3 PRO A 42 -5.852 3.808 4.468 1.00 4.12 H new ATOM 0 HD2 PRO A 42 -4.526 1.725 3.319 1.00 13.21 H new ATOM 0 HD3 PRO A 42 -6.277 1.812 3.313 1.00 13.21 H new ATOM 671 N GLU A 43 -3.276 3.711 0.325 1.00 53.44 N ATOM 672 CA GLU A 43 -2.011 4.179 -0.230 1.00 73.41 C ATOM 673 C GLU A 43 -2.245 5.037 -1.470 1.00 1.43 C ATOM 674 O GLU A 43 -1.491 5.972 -1.741 1.00 74.21 O ATOM 675 CB GLU A 43 -1.113 2.991 -0.581 1.00 71.41 C ATOM 676 CG GLU A 43 -1.258 2.522 -2.019 1.00 42.23 C ATOM 677 CD GLU A 43 -0.606 1.175 -2.262 1.00 74.42 C ATOM 678 OE1 GLU A 43 -1.048 0.461 -3.187 1.00 72.01 O ATOM 679 OE2 GLU A 43 0.344 0.834 -1.528 1.00 63.41 O ATOM 0 H GLU A 43 -3.316 2.706 0.496 1.00 53.44 H new ATOM 0 HA GLU A 43 -1.516 4.790 0.525 1.00 73.41 H new ATOM 0 HB2 GLU A 43 -0.074 3.266 -0.401 1.00 71.41 H new ATOM 0 HB3 GLU A 43 -1.344 2.162 0.088 1.00 71.41 H new ATOM 0 HG2 GLU A 43 -2.316 2.460 -2.272 1.00 42.23 H new ATOM 0 HG3 GLU A 43 -0.814 3.262 -2.685 1.00 42.23 H new ATOM 686 N MET A 44 -3.294 4.713 -2.218 1.00 60.41 N ATOM 687 CA MET A 44 -3.628 5.454 -3.429 1.00 4.34 C ATOM 688 C MET A 44 -4.542 6.633 -3.110 1.00 32.35 C ATOM 689 O MET A 44 -4.575 7.623 -3.841 1.00 23.42 O ATOM 690 CB MET A 44 -4.300 4.533 -4.448 1.00 33.11 C ATOM 691 CG MET A 44 -5.643 3.992 -3.985 1.00 32.04 C ATOM 692 SD MET A 44 -6.612 3.290 -5.334 1.00 12.43 S ATOM 693 CE MET A 44 -7.631 4.693 -5.784 1.00 32.13 C ATOM 0 H MET A 44 -3.928 3.942 -2.007 1.00 60.41 H new ATOM 0 HA MET A 44 -2.702 5.840 -3.856 1.00 4.34 H new ATOM 0 HB2 MET A 44 -4.439 5.078 -5.382 1.00 33.11 H new ATOM 0 HB3 MET A 44 -3.635 3.696 -4.663 1.00 33.11 H new ATOM 0 HG2 MET A 44 -5.480 3.228 -3.224 1.00 32.04 H new ATOM 0 HG3 MET A 44 -6.211 4.795 -3.514 1.00 32.04 H new ATOM 0 HE1 MET A 44 -8.288 4.416 -6.609 1.00 32.13 H new ATOM 0 HE2 MET A 44 -8.232 4.996 -4.927 1.00 32.13 H new ATOM 0 HE3 MET A 44 -6.993 5.522 -6.091 1.00 32.13 H new ATOM 703 N LYS A 45 -5.285 6.520 -2.013 1.00 64.34 N ATOM 704 CA LYS A 45 -6.200 7.576 -1.596 1.00 64.43 C ATOM 705 C LYS A 45 -5.447 8.701 -0.894 1.00 12.31 C ATOM 706 O LYS A 45 -5.927 9.833 -0.827 1.00 63.52 O ATOM 707 CB LYS A 45 -7.275 7.009 -0.667 1.00 30.14 C ATOM 708 CG LYS A 45 -8.257 8.053 -0.165 1.00 53.32 C ATOM 709 CD LYS A 45 -9.695 7.643 -0.438 1.00 42.31 C ATOM 710 CE LYS A 45 -10.240 8.320 -1.686 1.00 51.42 C ATOM 711 NZ LYS A 45 -11.540 8.999 -1.426 1.00 41.01 N ATOM 0 H LYS A 45 -5.271 5.707 -1.397 1.00 64.34 H new ATOM 0 HA LYS A 45 -6.677 7.983 -2.487 1.00 64.43 H new ATOM 0 HB2 LYS A 45 -7.825 6.229 -1.194 1.00 30.14 H new ATOM 0 HB3 LYS A 45 -6.792 6.536 0.188 1.00 30.14 H new ATOM 0 HG2 LYS A 45 -8.117 8.201 0.906 1.00 53.32 H new ATOM 0 HG3 LYS A 45 -8.052 9.008 -0.648 1.00 53.32 H new ATOM 0 HD2 LYS A 45 -9.750 6.561 -0.556 1.00 42.31 H new ATOM 0 HD3 LYS A 45 -10.317 7.902 0.419 1.00 42.31 H new ATOM 0 HE2 LYS A 45 -9.516 9.049 -2.049 1.00 51.42 H new ATOM 0 HE3 LYS A 45 -10.369 7.579 -2.475 1.00 51.42 H new ATOM 0 HZ1 LYS A 45 -11.836 9.519 -2.277 1.00 41.01 H new ATOM 0 HZ2 LYS A 45 -12.261 8.289 -1.186 1.00 41.01 H new ATOM 0 HZ3 LYS A 45 -11.432 9.664 -0.634 1.00 41.01 H new ATOM 725 N GLU A 46 -4.266 8.383 -0.373 1.00 72.01 N ATOM 726 CA GLU A 46 -3.448 9.369 0.323 1.00 14.13 C ATOM 727 C GLU A 46 -2.597 10.164 -0.663 1.00 24.44 C ATOM 728 O GLU A 46 -2.327 11.347 -0.454 1.00 52.04 O ATOM 729 CB GLU A 46 -2.549 8.683 1.353 1.00 31.35 C ATOM 730 CG GLU A 46 -3.215 8.481 2.704 1.00 3.24 C ATOM 731 CD GLU A 46 -2.239 8.029 3.774 1.00 74.54 C ATOM 732 OE1 GLU A 46 -2.487 6.972 4.392 1.00 4.14 O ATOM 733 OE2 GLU A 46 -1.230 8.730 3.992 1.00 43.01 O ATOM 0 H GLU A 46 -3.855 7.451 -0.420 1.00 72.01 H new ATOM 0 HA GLU A 46 -4.116 10.059 0.838 1.00 14.13 H new ATOM 0 HB2 GLU A 46 -2.237 7.714 0.963 1.00 31.35 H new ATOM 0 HB3 GLU A 46 -1.646 9.278 1.488 1.00 31.35 H new ATOM 0 HG2 GLU A 46 -3.685 9.414 3.016 1.00 3.24 H new ATOM 0 HG3 GLU A 46 -4.010 7.741 2.606 1.00 3.24 H new ATOM 740 N HIS A 47 -2.175 9.504 -1.737 1.00 30.22 N ATOM 741 CA HIS A 47 -1.354 10.148 -2.756 1.00 24.42 C ATOM 742 C HIS A 47 -2.221 10.927 -3.740 1.00 5.22 C ATOM 743 O HIS A 47 -1.913 12.069 -4.084 1.00 32.21 O ATOM 744 CB HIS A 47 -0.523 9.105 -3.505 1.00 2.22 C ATOM 745 CG HIS A 47 0.749 9.651 -4.077 1.00 53.44 C ATOM 746 ND1 HIS A 47 0.789 10.755 -4.904 1.00 22.43 N ATOM 747 CD2 HIS A 47 2.031 9.241 -3.937 1.00 51.12 C ATOM 748 CE1 HIS A 47 2.041 10.998 -5.248 1.00 50.15 C ATOM 749 NE2 HIS A 47 2.815 10.094 -4.675 1.00 15.22 N ATOM 0 H HIS A 47 -2.388 8.524 -1.924 1.00 30.22 H new ATOM 0 HA HIS A 47 -0.683 10.848 -2.258 1.00 24.42 H new ATOM 0 HB2 HIS A 47 -0.284 8.287 -2.826 1.00 2.22 H new ATOM 0 HB3 HIS A 47 -1.124 8.685 -4.312 1.00 2.22 H new ATOM 0 HD1 HIS A 47 -0.021 11.298 -5.203 1.00 22.43 H new ATOM 0 HD2 HIS A 47 2.374 8.399 -3.353 1.00 51.12 H new ATOM 0 HE1 HIS A 47 2.375 11.800 -5.889 1.00 50.15 H new ATOM 757 N TYR A 48 -3.304 10.303 -4.189 1.00 44.34 N ATOM 758 CA TYR A 48 -4.213 10.937 -5.136 1.00 51.44 C ATOM 759 C TYR A 48 -4.683 12.292 -4.616 1.00 52.54 C ATOM 760 O TYR A 48 -5.067 13.167 -5.392 1.00 12.21 O ATOM 761 CB TYR A 48 -5.419 10.034 -5.401 1.00 23.12 C ATOM 762 CG TYR A 48 -5.176 8.999 -6.476 1.00 42.33 C ATOM 763 CD1 TYR A 48 -6.231 8.469 -7.208 1.00 51.15 C ATOM 764 CD2 TYR A 48 -3.892 8.551 -6.760 1.00 4.33 C ATOM 765 CE1 TYR A 48 -6.014 7.523 -8.192 1.00 11.04 C ATOM 766 CE2 TYR A 48 -3.665 7.607 -7.742 1.00 32.20 C ATOM 767 CZ TYR A 48 -4.729 7.096 -8.455 1.00 35.51 C ATOM 768 OH TYR A 48 -4.508 6.153 -9.433 1.00 52.43 O ATOM 0 H TYR A 48 -3.574 9.359 -3.913 1.00 44.34 H new ATOM 0 HA TYR A 48 -3.673 11.094 -6.070 1.00 51.44 H new ATOM 0 HB2 TYR A 48 -5.693 9.527 -4.476 1.00 23.12 H new ATOM 0 HB3 TYR A 48 -6.269 10.652 -5.689 1.00 23.12 H new ATOM 0 HD1 TYR A 48 -7.238 8.802 -7.005 1.00 51.15 H new ATOM 0 HD2 TYR A 48 -3.056 8.948 -6.203 1.00 4.33 H new ATOM 0 HE1 TYR A 48 -6.845 7.121 -8.752 1.00 11.04 H new ATOM 0 HE2 TYR A 48 -2.660 7.271 -7.950 1.00 32.20 H new ATOM 0 HH TYR A 48 -3.549 5.963 -9.493 1.00 52.43 H new ATOM 778 N GLU A 49 -4.649 12.457 -3.298 1.00 2.43 N ATOM 779 CA GLU A 49 -5.071 13.706 -2.673 1.00 73.53 C ATOM 780 C GLU A 49 -4.196 14.868 -3.134 1.00 30.34 C ATOM 781 O GLU A 49 -4.577 16.032 -3.016 1.00 15.45 O ATOM 782 CB GLU A 49 -5.016 13.583 -1.149 1.00 41.51 C ATOM 783 CG GLU A 49 -6.347 13.852 -0.468 1.00 54.42 C ATOM 784 CD GLU A 49 -6.427 13.243 0.918 1.00 75.42 C ATOM 785 OE1 GLU A 49 -5.840 13.822 1.855 1.00 10.42 O ATOM 786 OE2 GLU A 49 -7.077 12.186 1.065 1.00 2.43 O ATOM 0 H GLU A 49 -4.334 11.742 -2.642 1.00 2.43 H new ATOM 0 HA GLU A 49 -6.099 13.906 -2.977 1.00 73.53 H new ATOM 0 HB2 GLU A 49 -4.679 12.580 -0.886 1.00 41.51 H new ATOM 0 HB3 GLU A 49 -4.273 14.281 -0.763 1.00 41.51 H new ATOM 0 HG2 GLU A 49 -6.504 14.928 -0.397 1.00 54.42 H new ATOM 0 HG3 GLU A 49 -7.153 13.452 -1.083 1.00 54.42 H new ATOM 793 N LYS A 50 -3.019 14.543 -3.658 1.00 74.34 N ATOM 794 CA LYS A 50 -2.088 15.557 -4.138 1.00 14.32 C ATOM 795 C LYS A 50 -2.404 15.948 -5.578 1.00 1.30 C ATOM 796 O LYS A 50 -2.035 17.031 -6.033 1.00 12.53 O ATOM 797 CB LYS A 50 -0.650 15.045 -4.041 1.00 5.34 C ATOM 798 CG LYS A 50 -0.019 15.259 -2.676 1.00 3.14 C ATOM 799 CD LYS A 50 1.493 15.118 -2.732 1.00 2.02 C ATOM 800 CE LYS A 50 2.175 16.009 -1.704 1.00 74.41 C ATOM 801 NZ LYS A 50 3.647 16.075 -1.917 1.00 51.32 N ATOM 0 H LYS A 50 -2.687 13.584 -3.761 1.00 74.34 H new ATOM 0 HA LYS A 50 -2.196 16.440 -3.509 1.00 14.32 H new ATOM 0 HB2 LYS A 50 -0.636 13.981 -4.276 1.00 5.34 H new ATOM 0 HB3 LYS A 50 -0.043 15.546 -4.795 1.00 5.34 H new ATOM 0 HG2 LYS A 50 -0.279 16.250 -2.305 1.00 3.14 H new ATOM 0 HG3 LYS A 50 -0.427 14.537 -1.969 1.00 3.14 H new ATOM 0 HD2 LYS A 50 1.769 14.079 -2.554 1.00 2.02 H new ATOM 0 HD3 LYS A 50 1.847 15.376 -3.730 1.00 2.02 H new ATOM 0 HE2 LYS A 50 1.755 17.013 -1.758 1.00 74.41 H new ATOM 0 HE3 LYS A 50 1.970 15.631 -0.702 1.00 74.41 H new ATOM 0 HZ1 LYS A 50 4.075 16.691 -1.197 1.00 51.32 H new ATOM 0 HZ2 LYS A 50 4.052 15.120 -1.840 1.00 51.32 H new ATOM 0 HZ3 LYS A 50 3.844 16.460 -2.863 1.00 51.32 H new ATOM 815 N PHE A 51 -3.089 15.061 -6.291 1.00 33.52 N ATOM 816 CA PHE A 51 -3.455 15.313 -7.680 1.00 1.54 C ATOM 817 C PHE A 51 -4.734 16.142 -7.763 1.00 64.02 C ATOM 818 O PHE A 51 -4.793 17.139 -8.482 1.00 71.21 O ATOM 819 CB PHE A 51 -3.640 13.992 -8.429 1.00 42.52 C ATOM 820 CG PHE A 51 -3.064 14.005 -9.816 1.00 70.34 C ATOM 821 CD1 PHE A 51 -1.994 13.188 -10.144 1.00 21.12 C ATOM 822 CD2 PHE A 51 -3.593 14.834 -10.793 1.00 22.52 C ATOM 823 CE1 PHE A 51 -1.462 13.196 -11.420 1.00 2.45 C ATOM 824 CE2 PHE A 51 -3.065 14.846 -12.070 1.00 53.02 C ATOM 825 CZ PHE A 51 -1.998 14.027 -12.384 1.00 2.54 C ATOM 0 H PHE A 51 -3.402 14.160 -5.930 1.00 33.52 H new ATOM 0 HA PHE A 51 -2.647 15.876 -8.146 1.00 1.54 H new ATOM 0 HB2 PHE A 51 -3.172 13.191 -7.857 1.00 42.52 H new ATOM 0 HB3 PHE A 51 -4.704 13.763 -8.488 1.00 42.52 H new ATOM 0 HD1 PHE A 51 -1.570 12.537 -9.394 1.00 21.12 H new ATOM 0 HD2 PHE A 51 -4.427 15.477 -10.554 1.00 22.52 H new ATOM 0 HE1 PHE A 51 -0.629 12.553 -11.663 1.00 2.45 H new ATOM 0 HE2 PHE A 51 -3.487 15.496 -12.823 1.00 53.02 H new ATOM 0 HZ PHE A 51 -1.584 14.036 -13.381 1.00 2.54 H new ATOM 835 N GLU A 52 -5.754 15.721 -7.023 1.00 31.42 N ATOM 836 CA GLU A 52 -7.032 16.423 -7.014 1.00 71.34 C ATOM 837 C GLU A 52 -6.833 17.912 -6.749 1.00 1.14 C ATOM 838 O GLU A 52 -7.418 18.759 -7.424 1.00 15.03 O ATOM 839 CB GLU A 52 -7.961 15.824 -5.956 1.00 11.40 C ATOM 840 CG GLU A 52 -7.252 15.448 -4.666 1.00 3.51 C ATOM 841 CD GLU A 52 -7.988 15.933 -3.432 1.00 54.24 C ATOM 842 OE1 GLU A 52 -8.462 15.081 -2.652 1.00 22.13 O ATOM 843 OE2 GLU A 52 -8.092 17.164 -3.248 1.00 30.22 O ATOM 0 H GLU A 52 -5.721 14.898 -6.422 1.00 31.42 H new ATOM 0 HA GLU A 52 -7.489 16.305 -7.996 1.00 71.34 H new ATOM 0 HB2 GLU A 52 -8.751 16.540 -5.731 1.00 11.40 H new ATOM 0 HB3 GLU A 52 -8.443 14.937 -6.368 1.00 11.40 H new ATOM 0 HG2 GLU A 52 -7.144 14.364 -4.618 1.00 3.51 H new ATOM 0 HG3 GLU A 52 -6.246 15.868 -4.673 1.00 3.51 H new ATOM 850 N LYS A 53 -6.002 18.225 -5.760 1.00 34.44 N ATOM 851 CA LYS A 53 -5.724 19.611 -5.403 1.00 63.40 C ATOM 852 C LYS A 53 -5.298 20.413 -6.629 1.00 32.24 C ATOM 853 O LYS A 53 -5.528 21.620 -6.702 1.00 63.43 O ATOM 854 CB LYS A 53 -4.630 19.674 -4.334 1.00 73.12 C ATOM 855 CG LYS A 53 -5.135 20.121 -2.973 1.00 52.43 C ATOM 856 CD LYS A 53 -4.020 20.133 -1.941 1.00 52.01 C ATOM 857 CE LYS A 53 -4.100 21.362 -1.049 1.00 3.14 C ATOM 858 NZ LYS A 53 -2.822 21.605 -0.324 1.00 24.12 N ATOM 0 H LYS A 53 -5.509 17.537 -5.191 1.00 34.44 H new ATOM 0 HA LYS A 53 -6.639 20.048 -5.004 1.00 63.40 H new ATOM 0 HB2 LYS A 53 -4.171 18.690 -4.237 1.00 73.12 H new ATOM 0 HB3 LYS A 53 -3.849 20.358 -4.665 1.00 73.12 H new ATOM 0 HG2 LYS A 53 -5.568 21.118 -3.054 1.00 52.43 H new ATOM 0 HG3 LYS A 53 -5.931 19.454 -2.642 1.00 52.43 H new ATOM 0 HD2 LYS A 53 -4.080 19.233 -1.329 1.00 52.01 H new ATOM 0 HD3 LYS A 53 -3.055 20.111 -2.447 1.00 52.01 H new ATOM 0 HE2 LYS A 53 -4.346 22.235 -1.654 1.00 3.14 H new ATOM 0 HE3 LYS A 53 -4.908 21.236 -0.328 1.00 3.14 H new ATOM 0 HZ1 LYS A 53 -2.917 22.451 0.273 1.00 24.12 H new ATOM 0 HZ2 LYS A 53 -2.600 20.783 0.273 1.00 24.12 H new ATOM 0 HZ3 LYS A 53 -2.055 21.751 -1.011 1.00 24.12 H new ATOM 872 N MET A 54 -4.679 19.734 -7.589 1.00 22.13 N ATOM 873 CA MET A 54 -4.224 20.384 -8.812 1.00 51.04 C ATOM 874 C MET A 54 -5.356 20.480 -9.830 1.00 73.42 C ATOM 875 O MET A 54 -5.403 21.411 -10.634 1.00 14.20 O ATOM 876 CB MET A 54 -3.045 19.618 -9.414 1.00 62.24 C ATOM 877 CG MET A 54 -1.730 20.378 -9.351 1.00 10.11 C ATOM 878 SD MET A 54 -0.639 19.995 -10.734 1.00 42.34 S ATOM 879 CE MET A 54 -0.163 21.641 -11.256 1.00 3.55 C ATOM 0 H MET A 54 -4.481 18.734 -7.544 1.00 22.13 H new ATOM 0 HA MET A 54 -3.900 21.393 -8.558 1.00 51.04 H new ATOM 0 HB2 MET A 54 -2.932 18.670 -8.889 1.00 62.24 H new ATOM 0 HB3 MET A 54 -3.269 19.382 -10.454 1.00 62.24 H new ATOM 0 HG2 MET A 54 -1.934 21.449 -9.340 1.00 10.11 H new ATOM 0 HG3 MET A 54 -1.222 20.141 -8.416 1.00 10.11 H new ATOM 0 HE1 MET A 54 0.702 21.577 -11.916 1.00 3.55 H new ATOM 0 HE2 MET A 54 -0.992 22.108 -11.788 1.00 3.55 H new ATOM 0 HE3 MET A 54 0.091 22.241 -10.382 1.00 3.55 H new ATOM 889 N ILE A 55 -6.265 19.511 -9.790 1.00 52.30 N ATOM 890 CA ILE A 55 -7.397 19.488 -10.709 1.00 22.15 C ATOM 891 C ILE A 55 -8.102 20.839 -10.746 1.00 51.44 C ATOM 892 O ILE A 55 -8.183 21.479 -11.795 1.00 24.40 O ATOM 893 CB ILE A 55 -8.416 18.401 -10.319 1.00 64.40 C ATOM 894 CG1 ILE A 55 -7.782 17.013 -10.433 1.00 61.45 C ATOM 895 CG2 ILE A 55 -9.655 18.497 -11.197 1.00 3.15 C ATOM 896 CD1 ILE A 55 -7.498 16.594 -11.859 1.00 25.11 C ATOM 0 H ILE A 55 -6.240 18.732 -9.132 1.00 52.30 H new ATOM 0 HA ILE A 55 -6.997 19.262 -11.697 1.00 22.15 H new ATOM 0 HB ILE A 55 -8.716 18.559 -9.283 1.00 64.40 H new ATOM 0 HG12 ILE A 55 -6.851 17.000 -9.867 1.00 61.45 H new ATOM 0 HG13 ILE A 55 -8.445 16.281 -9.973 1.00 61.45 H new ATOM 0 HG21 ILE A 55 -10.366 17.722 -10.909 1.00 3.15 H new ATOM 0 HG22 ILE A 55 -10.115 19.477 -11.071 1.00 3.15 H new ATOM 0 HG23 ILE A 55 -9.373 18.361 -12.241 1.00 3.15 H new ATOM 0 HD11 ILE A 55 -7.049 15.601 -11.864 1.00 25.11 H new ATOM 0 HD12 ILE A 55 -8.429 16.574 -12.425 1.00 25.11 H new ATOM 0 HD13 ILE A 55 -6.810 17.305 -12.317 1.00 25.11 H new ATOM 908 N GLN A 56 -8.609 21.268 -9.595 1.00 55.44 N ATOM 909 CA GLN A 56 -9.307 22.545 -9.497 1.00 50.13 C ATOM 910 C GLN A 56 -8.323 23.709 -9.554 1.00 61.15 C ATOM 911 O GLN A 56 -8.700 24.837 -9.870 1.00 63.12 O ATOM 912 CB GLN A 56 -10.117 22.610 -8.201 1.00 64.40 C ATOM 913 CG GLN A 56 -11.293 21.647 -8.170 1.00 0.21 C ATOM 914 CD GLN A 56 -11.707 21.277 -6.759 1.00 63.34 C ATOM 915 OE1 GLN A 56 -11.684 20.105 -6.381 1.00 2.11 O ATOM 916 NE2 GLN A 56 -12.088 22.276 -5.972 1.00 70.22 N ATOM 0 H GLN A 56 -8.550 20.751 -8.718 1.00 55.44 H new ATOM 0 HA GLN A 56 -9.986 22.625 -10.346 1.00 50.13 H new ATOM 0 HB2 GLN A 56 -9.459 22.394 -7.360 1.00 64.40 H new ATOM 0 HB3 GLN A 56 -10.486 23.626 -8.064 1.00 64.40 H new ATOM 0 HG2 GLN A 56 -12.140 22.097 -8.687 1.00 0.21 H new ATOM 0 HG3 GLN A 56 -11.031 20.741 -8.717 1.00 0.21 H new ATOM 0 HE21 GLN A 56 -12.092 23.232 -6.327 1.00 70.22 H new ATOM 0 HE22 GLN A 56 -12.377 22.087 -5.012 1.00 70.22 H new ATOM 925 N GLU A 57 -7.061 23.426 -9.247 1.00 0.15 N ATOM 926 CA GLU A 57 -6.024 24.451 -9.262 1.00 64.21 C ATOM 927 C GLU A 57 -5.851 25.029 -10.664 1.00 23.42 C ATOM 928 O GLU A 57 -5.862 26.246 -10.852 1.00 21.44 O ATOM 929 CB GLU A 57 -4.696 23.871 -8.770 1.00 42.30 C ATOM 930 CG GLU A 57 -3.570 24.891 -8.714 1.00 34.42 C ATOM 931 CD GLU A 57 -2.701 24.868 -9.956 1.00 4.42 C ATOM 932 OE1 GLU A 57 -2.271 25.955 -10.398 1.00 31.41 O ATOM 933 OE2 GLU A 57 -2.450 23.766 -10.485 1.00 63.15 O ATOM 0 H GLU A 57 -6.732 22.497 -8.985 1.00 0.15 H new ATOM 0 HA GLU A 57 -6.332 25.254 -8.592 1.00 64.21 H new ATOM 0 HB2 GLU A 57 -4.840 23.447 -7.776 1.00 42.30 H new ATOM 0 HB3 GLU A 57 -4.401 23.052 -9.427 1.00 42.30 H new ATOM 0 HG2 GLU A 57 -3.993 25.888 -8.590 1.00 34.42 H new ATOM 0 HG3 GLU A 57 -2.951 24.696 -7.838 1.00 34.42 H new ATOM 940 N HIS A 58 -5.690 24.147 -11.645 1.00 71.34 N ATOM 941 CA HIS A 58 -5.515 24.568 -13.031 1.00 5.23 C ATOM 942 C HIS A 58 -5.066 23.399 -13.902 1.00 32.42 C ATOM 943 O HIS A 58 -4.373 23.585 -14.903 1.00 15.32 O ATOM 944 CB HIS A 58 -4.493 25.703 -13.115 1.00 53.02 C ATOM 945 CG HIS A 58 -5.087 27.013 -13.535 1.00 25.34 C ATOM 946 ND1 HIS A 58 -6.342 27.500 -13.399 1.00 42.24 N flip ATOM 947 CD2 HIS A 58 -4.364 27.994 -14.179 1.00 72.44 C flip ATOM 948 CE1 HIS A 58 -6.355 28.754 -13.958 1.00 61.11 C flip ATOM 949 NE2 HIS A 58 -5.149 29.029 -14.421 1.00 61.01 N flip ATOM 0 H HIS A 58 -5.677 23.137 -11.506 1.00 71.34 H new ATOM 0 HA HIS A 58 -6.476 24.925 -13.401 1.00 5.23 H new ATOM 0 HB2 HIS A 58 -4.016 25.825 -12.142 1.00 53.02 H new ATOM 0 HB3 HIS A 58 -3.710 25.425 -13.821 1.00 53.02 H new ATOM 0 HD2 HIS A 58 -3.319 27.927 -14.444 1.00 72.44 H new ATOM 0 HE1 HIS A 58 -7.212 29.409 -14.011 1.00 61.11 H new ATOM 0 HE2 HIS A 58 -4.871 29.893 -14.886 1.00 61.01 H new ATOM 957 N THR A 59 -5.465 22.191 -13.514 1.00 52.12 N ATOM 958 CA THR A 59 -5.103 20.991 -14.258 1.00 52.20 C ATOM 959 C THR A 59 -6.105 20.712 -15.373 1.00 2.23 C ATOM 960 O THR A 59 -5.736 20.240 -16.448 1.00 63.20 O ATOM 961 CB THR A 59 -5.024 19.761 -13.335 1.00 24.30 C ATOM 962 OG1 THR A 59 -3.658 19.366 -13.162 1.00 31.32 O ATOM 963 CG2 THR A 59 -5.823 18.601 -13.909 1.00 74.00 C ATOM 0 H THR A 59 -6.039 22.018 -12.689 1.00 52.12 H new ATOM 0 HA THR A 59 -4.121 21.173 -14.693 1.00 52.20 H new ATOM 0 HB THR A 59 -5.450 20.031 -12.369 1.00 24.30 H new ATOM 0 HG1 THR A 59 -3.613 18.398 -13.017 1.00 31.32 H new ATOM 0 HG21 THR A 59 -5.752 17.744 -13.240 1.00 74.00 H new ATOM 0 HG22 THR A 59 -6.868 18.895 -14.013 1.00 74.00 H new ATOM 0 HG23 THR A 59 -5.423 18.332 -14.887 1.00 74.00 H new ATOM 971 N ASP A 60 -7.373 21.008 -15.110 1.00 21.23 N ATOM 972 CA ASP A 60 -8.428 20.790 -16.092 1.00 54.23 C ATOM 973 C ASP A 60 -8.070 21.435 -17.427 1.00 45.42 C ATOM 974 O ASP A 60 -8.467 20.954 -18.489 1.00 4.24 O ATOM 975 CB ASP A 60 -9.755 21.353 -15.580 1.00 72.21 C ATOM 976 CG ASP A 60 -10.900 21.102 -16.542 1.00 10.32 C ATOM 977 OD1 ASP A 60 -11.658 22.055 -16.824 1.00 65.50 O ATOM 978 OD2 ASP A 60 -11.038 19.954 -17.013 1.00 11.30 O ATOM 0 H ASP A 60 -7.695 21.400 -14.225 1.00 21.23 H new ATOM 0 HA ASP A 60 -8.532 19.716 -16.244 1.00 54.23 H new ATOM 0 HB2 ASP A 60 -9.989 20.903 -14.615 1.00 72.21 H new ATOM 0 HB3 ASP A 60 -9.652 22.425 -15.415 1.00 72.21 H new ATOM 983 N LYS A 61 -7.317 22.529 -17.367 1.00 24.43 N ATOM 984 CA LYS A 61 -6.903 23.241 -18.570 1.00 12.12 C ATOM 985 C LYS A 61 -5.663 22.599 -19.183 1.00 41.11 C ATOM 986 O LYS A 61 -5.478 22.621 -20.400 1.00 71.52 O ATOM 987 CB LYS A 61 -6.623 24.710 -18.246 1.00 50.43 C ATOM 988 CG LYS A 61 -6.214 25.532 -19.456 1.00 44.23 C ATOM 989 CD LYS A 61 -7.423 26.101 -20.179 1.00 11.41 C ATOM 990 CE LYS A 61 -7.106 26.417 -21.633 1.00 33.42 C ATOM 991 NZ LYS A 61 -8.334 26.743 -22.410 1.00 0.53 N ATOM 0 H LYS A 61 -6.981 22.942 -16.497 1.00 24.43 H new ATOM 0 HA LYS A 61 -7.715 23.183 -19.294 1.00 12.12 H new ATOM 0 HB2 LYS A 61 -7.515 25.152 -17.802 1.00 50.43 H new ATOM 0 HB3 LYS A 61 -5.833 24.764 -17.497 1.00 50.43 H new ATOM 0 HG2 LYS A 61 -5.562 26.346 -19.140 1.00 44.23 H new ATOM 0 HG3 LYS A 61 -5.638 24.910 -20.142 1.00 44.23 H new ATOM 0 HD2 LYS A 61 -8.246 25.387 -20.132 1.00 11.41 H new ATOM 0 HD3 LYS A 61 -7.757 27.007 -19.673 1.00 11.41 H new ATOM 0 HE2 LYS A 61 -6.413 27.257 -21.679 1.00 33.42 H new ATOM 0 HE3 LYS A 61 -6.604 25.564 -22.089 1.00 33.42 H new ATOM 0 HZ1 LYS A 61 -8.076 26.952 -23.395 1.00 0.53 H new ATOM 0 HZ2 LYS A 61 -8.985 25.932 -22.387 1.00 0.53 H new ATOM 0 HZ3 LYS A 61 -8.800 27.573 -21.991 1.00 0.53 H new ATOM 1005 N PHE A 62 -4.816 22.027 -18.333 1.00 54.41 N ATOM 1006 CA PHE A 62 -3.594 21.379 -18.792 1.00 63.40 C ATOM 1007 C PHE A 62 -3.910 20.076 -19.522 1.00 0.41 C ATOM 1008 O PHE A 62 -3.310 19.767 -20.550 1.00 45.42 O ATOM 1009 CB PHE A 62 -2.664 21.100 -17.609 1.00 41.52 C ATOM 1010 CG PHE A 62 -1.215 21.350 -17.914 1.00 45.04 C ATOM 1011 CD1 PHE A 62 -0.624 20.796 -19.039 1.00 13.01 C ATOM 1012 CD2 PHE A 62 -0.442 22.138 -17.076 1.00 52.24 C ATOM 1013 CE1 PHE A 62 0.709 21.024 -19.323 1.00 21.01 C ATOM 1014 CE2 PHE A 62 0.891 22.370 -17.356 1.00 4.04 C ATOM 1015 CZ PHE A 62 1.468 21.811 -18.479 1.00 41.24 C ATOM 0 H PHE A 62 -4.954 21.999 -17.323 1.00 54.41 H new ATOM 0 HA PHE A 62 -3.095 22.053 -19.488 1.00 63.40 H new ATOM 0 HB2 PHE A 62 -2.963 21.724 -16.767 1.00 41.52 H new ATOM 0 HB3 PHE A 62 -2.788 20.063 -17.297 1.00 41.52 H new ATOM 0 HD1 PHE A 62 -1.213 20.179 -19.702 1.00 13.01 H new ATOM 0 HD2 PHE A 62 -0.886 22.576 -16.194 1.00 52.24 H new ATOM 0 HE1 PHE A 62 1.157 20.587 -20.204 1.00 21.01 H new ATOM 0 HE2 PHE A 62 1.482 22.989 -16.696 1.00 4.04 H new ATOM 0 HZ PHE A 62 2.511 21.989 -18.697 1.00 41.24 H new ATOM 1025 N ASN A 63 -4.857 19.317 -18.981 1.00 71.11 N ATOM 1026 CA ASN A 63 -5.253 18.047 -19.579 1.00 52.25 C ATOM 1027 C ASN A 63 -5.605 18.227 -21.053 1.00 71.31 C ATOM 1028 O ASN A 63 -5.499 17.291 -21.847 1.00 12.42 O ATOM 1029 CB ASN A 63 -6.447 17.455 -18.827 1.00 4.21 C ATOM 1030 CG ASN A 63 -7.250 16.494 -19.682 1.00 11.23 C ATOM 1031 OD1 ASN A 63 -8.445 16.692 -19.901 1.00 73.23 O ATOM 1032 ND2 ASN A 63 -6.595 15.446 -20.169 1.00 14.54 N ATOM 0 H ASN A 63 -5.364 19.559 -18.130 1.00 71.11 H new ATOM 0 HA ASN A 63 -4.410 17.361 -19.506 1.00 52.25 H new ATOM 0 HB2 ASN A 63 -6.091 16.935 -17.937 1.00 4.21 H new ATOM 0 HB3 ASN A 63 -7.095 18.263 -18.486 1.00 4.21 H new ATOM 0 HD21 ASN A 63 -7.083 14.765 -20.751 1.00 14.54 H new ATOM 0 HD22 ASN A 63 -5.604 15.322 -19.961 1.00 14.54 H new ATOM 1039 N LYS A 64 -6.024 19.435 -21.413 1.00 10.23 N ATOM 1040 CA LYS A 64 -6.390 19.740 -22.791 1.00 32.03 C ATOM 1041 C LYS A 64 -5.148 19.925 -23.656 1.00 5.43 C ATOM 1042 O LYS A 64 -5.147 19.591 -24.841 1.00 15.04 O ATOM 1043 CB LYS A 64 -7.254 21.002 -22.843 1.00 51.14 C ATOM 1044 CG LYS A 64 -8.488 20.859 -23.718 1.00 65.11 C ATOM 1045 CD LYS A 64 -8.344 21.636 -25.016 1.00 60.10 C ATOM 1046 CE LYS A 64 -9.052 20.936 -26.166 1.00 30.01 C ATOM 1047 NZ LYS A 64 -10.412 21.494 -26.401 1.00 75.05 N ATOM 0 H LYS A 64 -6.119 20.220 -20.769 1.00 10.23 H new ATOM 0 HA LYS A 64 -6.962 18.899 -23.183 1.00 32.03 H new ATOM 0 HB2 LYS A 64 -7.565 21.261 -21.831 1.00 51.14 H new ATOM 0 HB3 LYS A 64 -6.650 21.831 -23.213 1.00 51.14 H new ATOM 0 HG2 LYS A 64 -8.657 19.805 -23.940 1.00 65.11 H new ATOM 0 HG3 LYS A 64 -9.364 21.215 -23.175 1.00 65.11 H new ATOM 0 HD2 LYS A 64 -8.756 22.637 -24.889 1.00 60.10 H new ATOM 0 HD3 LYS A 64 -7.287 21.754 -25.256 1.00 60.10 H new ATOM 0 HE2 LYS A 64 -8.457 21.036 -27.074 1.00 30.01 H new ATOM 0 HE3 LYS A 64 -9.129 19.870 -25.951 1.00 30.01 H new ATOM 0 HZ1 LYS A 64 -10.862 20.991 -27.192 1.00 75.05 H new ATOM 0 HZ2 LYS A 64 -10.988 21.376 -25.543 1.00 75.05 H new ATOM 0 HZ3 LYS A 64 -10.337 22.505 -26.632 1.00 75.05 H new ATOM 1061 N LYS A 65 -4.089 20.459 -23.056 1.00 21.04 N ATOM 1062 CA LYS A 65 -2.838 20.686 -23.770 1.00 11.55 C ATOM 1063 C LYS A 65 -1.987 19.421 -23.793 1.00 71.20 C ATOM 1064 O LYS A 65 -1.531 18.988 -24.851 1.00 75.20 O ATOM 1065 CB LYS A 65 -2.055 21.828 -23.117 1.00 51.23 C ATOM 1066 CG LYS A 65 -2.939 22.874 -22.460 1.00 1.10 C ATOM 1067 CD LYS A 65 -3.902 23.496 -23.457 1.00 13.22 C ATOM 1068 CE LYS A 65 -3.163 24.264 -24.542 1.00 21.11 C ATOM 1069 NZ LYS A 65 -3.983 25.380 -25.089 1.00 33.12 N ATOM 0 H LYS A 65 -4.072 20.743 -22.076 1.00 21.04 H new ATOM 0 HA LYS A 65 -3.079 20.959 -24.797 1.00 11.55 H new ATOM 0 HB2 LYS A 65 -1.380 21.413 -22.369 1.00 51.23 H new ATOM 0 HB3 LYS A 65 -1.435 22.311 -23.873 1.00 51.23 H new ATOM 0 HG2 LYS A 65 -3.502 22.417 -21.646 1.00 1.10 H new ATOM 0 HG3 LYS A 65 -2.317 23.653 -22.019 1.00 1.10 H new ATOM 0 HD2 LYS A 65 -4.510 22.715 -23.913 1.00 13.22 H new ATOM 0 HD3 LYS A 65 -4.584 24.167 -22.935 1.00 13.22 H new ATOM 0 HE2 LYS A 65 -2.233 24.662 -24.136 1.00 21.11 H new ATOM 0 HE3 LYS A 65 -2.893 23.583 -25.349 1.00 21.11 H new ATOM 0 HZ1 LYS A 65 -3.444 25.878 -25.826 1.00 33.12 H new ATOM 0 HZ2 LYS A 65 -4.859 24.998 -25.500 1.00 33.12 H new ATOM 0 HZ3 LYS A 65 -4.220 26.044 -24.324 1.00 33.12 H new ATOM 1083 N MET A 66 -1.778 18.832 -22.620 1.00 71.22 N ATOM 1084 CA MET A 66 -0.984 17.614 -22.508 1.00 21.12 C ATOM 1085 C MET A 66 -1.706 16.433 -23.148 1.00 34.31 C ATOM 1086 O MET A 66 -1.128 15.360 -23.322 1.00 32.11 O ATOM 1087 CB MET A 66 -0.685 17.308 -21.039 1.00 3.41 C ATOM 1088 CG MET A 66 0.571 17.990 -20.520 1.00 64.42 C ATOM 1089 SD MET A 66 2.015 16.911 -20.564 1.00 63.42 S ATOM 1090 CE MET A 66 2.900 17.586 -21.968 1.00 33.41 C ATOM 0 H MET A 66 -2.147 19.178 -21.734 1.00 71.22 H new ATOM 0 HA MET A 66 -0.045 17.773 -23.038 1.00 21.12 H new ATOM 0 HB2 MET A 66 -1.535 17.619 -20.431 1.00 3.41 H new ATOM 0 HB3 MET A 66 -0.581 16.230 -20.915 1.00 3.41 H new ATOM 0 HG2 MET A 66 0.769 18.881 -21.116 1.00 64.42 H new ATOM 0 HG3 MET A 66 0.402 18.323 -19.496 1.00 64.42 H new ATOM 0 HE1 MET A 66 3.820 17.022 -22.123 1.00 33.41 H new ATOM 0 HE2 MET A 66 2.276 17.516 -22.859 1.00 33.41 H new ATOM 0 HE3 MET A 66 3.143 18.631 -21.777 1.00 33.41 H new ATOM 1100 N ARG A 67 -2.973 16.637 -23.496 1.00 4.41 N ATOM 1101 CA ARG A 67 -3.774 15.589 -24.115 1.00 62.52 C ATOM 1102 C ARG A 67 -3.090 15.051 -25.369 1.00 52.01 C ATOM 1103 O ARG A 67 -3.365 13.934 -25.806 1.00 41.13 O ATOM 1104 CB ARG A 67 -5.164 16.120 -24.468 1.00 12.34 C ATOM 1105 CG ARG A 67 -6.298 15.322 -23.845 1.00 24.23 C ATOM 1106 CD ARG A 67 -7.638 16.013 -24.038 1.00 51.13 C ATOM 1107 NE ARG A 67 -8.527 15.250 -24.910 1.00 20.51 N ATOM 1108 CZ ARG A 67 -9.777 15.608 -25.180 1.00 72.22 C ATOM 1109 NH1 ARG A 67 -10.283 16.713 -24.650 1.00 31.42 N ATOM 1110 NH2 ARG A 67 -10.524 14.861 -25.983 1.00 60.41 N ATOM 0 H ARG A 67 -3.466 17.519 -23.359 1.00 4.41 H new ATOM 0 HA ARG A 67 -3.876 14.774 -23.399 1.00 62.52 H new ATOM 0 HB2 ARG A 67 -5.240 17.158 -24.143 1.00 12.34 H new ATOM 0 HB3 ARG A 67 -5.281 16.116 -25.552 1.00 12.34 H new ATOM 0 HG2 ARG A 67 -6.333 14.328 -24.291 1.00 24.23 H new ATOM 0 HG3 ARG A 67 -6.107 15.187 -22.780 1.00 24.23 H new ATOM 0 HD2 ARG A 67 -8.115 16.155 -23.069 1.00 51.13 H new ATOM 0 HD3 ARG A 67 -7.477 17.004 -24.462 1.00 51.13 H new ATOM 0 HE ARG A 67 -8.168 14.395 -25.335 1.00 20.51 H new ATOM 0 HH11 ARG A 67 -9.712 17.291 -24.033 1.00 31.42 H new ATOM 0 HH12 ARG A 67 -11.243 16.985 -24.859 1.00 31.42 H new ATOM 0 HH21 ARG A 67 -10.138 14.011 -26.394 1.00 60.41 H new ATOM 0 HH22 ARG A 67 -11.484 15.137 -26.190 1.00 60.41 H new ATOM 1124 N GLU A 68 -2.200 15.855 -25.942 1.00 25.40 N ATOM 1125 CA GLU A 68 -1.478 15.459 -27.146 1.00 53.31 C ATOM 1126 C GLU A 68 -0.561 14.272 -26.866 1.00 52.31 C ATOM 1127 O GLU A 68 -0.355 13.416 -27.727 1.00 32.13 O ATOM 1128 CB GLU A 68 -0.660 16.634 -27.686 1.00 2.01 C ATOM 1129 CG GLU A 68 -1.455 17.569 -28.581 1.00 41.43 C ATOM 1130 CD GLU A 68 -1.446 17.134 -30.034 1.00 33.02 C ATOM 1131 OE1 GLU A 68 -0.795 16.114 -30.343 1.00 2.21 O ATOM 1132 OE2 GLU A 68 -2.090 17.812 -30.861 1.00 13.30 O ATOM 0 H GLU A 68 -1.962 16.783 -25.593 1.00 25.40 H new ATOM 0 HA GLU A 68 -2.210 15.160 -27.896 1.00 53.31 H new ATOM 0 HB2 GLU A 68 -0.258 17.202 -26.847 1.00 2.01 H new ATOM 0 HB3 GLU A 68 0.192 16.246 -28.245 1.00 2.01 H new ATOM 0 HG2 GLU A 68 -2.485 17.617 -28.226 1.00 41.43 H new ATOM 0 HG3 GLU A 68 -1.044 18.576 -28.504 1.00 41.43 H new ATOM 1139 N HIS A 69 -0.012 14.229 -25.656 1.00 73.42 N ATOM 1140 CA HIS A 69 0.883 13.147 -25.262 1.00 2.04 C ATOM 1141 C HIS A 69 0.168 12.155 -24.350 1.00 32.41 C ATOM 1142 O HIS A 69 0.786 11.241 -23.804 1.00 63.13 O ATOM 1143 CB HIS A 69 2.116 13.710 -24.554 1.00 63.11 C ATOM 1144 CG HIS A 69 3.012 14.505 -25.453 1.00 53.44 C ATOM 1145 ND1 HIS A 69 2.988 14.395 -26.828 1.00 1.43 N ATOM 1146 CD2 HIS A 69 3.959 15.429 -25.168 1.00 25.55 C ATOM 1147 CE1 HIS A 69 3.884 15.215 -27.348 1.00 52.22 C ATOM 1148 NE2 HIS A 69 4.487 15.854 -26.362 1.00 13.21 N ATOM 0 H HIS A 69 -0.171 14.930 -24.932 1.00 73.42 H new ATOM 0 HA HIS A 69 1.198 12.622 -26.164 1.00 2.04 H new ATOM 0 HB2 HIS A 69 1.793 14.341 -23.726 1.00 63.11 H new ATOM 0 HB3 HIS A 69 2.685 12.886 -24.123 1.00 63.11 H new ATOM 0 HD2 HIS A 69 4.246 15.769 -24.184 1.00 25.55 H new ATOM 0 HE1 HIS A 69 4.089 15.341 -28.401 1.00 52.22 H new ATOM 0 HE2 HIS A 69 5.225 16.550 -26.470 1.00 13.21 H new ATOM 1156 N SER A 70 -1.138 12.342 -24.189 1.00 73.50 N ATOM 1157 CA SER A 70 -1.937 11.466 -23.340 1.00 20.52 C ATOM 1158 C SER A 70 -2.075 10.081 -23.965 1.00 23.30 C ATOM 1159 O SER A 70 -2.556 9.146 -23.327 1.00 34.44 O ATOM 1160 CB SER A 70 -3.322 12.072 -23.105 1.00 61.31 C ATOM 1161 OG SER A 70 -4.339 11.100 -23.276 1.00 14.22 O ATOM 0 H SER A 70 -1.665 13.092 -24.635 1.00 73.50 H new ATOM 0 HA SER A 70 -1.426 11.364 -22.383 1.00 20.52 H new ATOM 0 HB2 SER A 70 -3.375 12.486 -22.098 1.00 61.31 H new ATOM 0 HB3 SER A 70 -3.484 12.898 -23.798 1.00 61.31 H new ATOM 0 HG SER A 70 -5.214 11.511 -23.119 1.00 14.22 H new ATOM 1167 N GLU A 71 -1.648 9.959 -25.218 1.00 60.11 N ATOM 1168 CA GLU A 71 -1.725 8.689 -25.930 1.00 65.23 C ATOM 1169 C GLU A 71 -0.842 7.637 -25.264 1.00 45.43 C ATOM 1170 O GLU A 71 -1.238 6.481 -25.116 1.00 12.14 O ATOM 1171 CB GLU A 71 -1.306 8.871 -27.391 1.00 3.54 C ATOM 1172 CG GLU A 71 -2.307 8.309 -28.386 1.00 2.31 C ATOM 1173 CD GLU A 71 -2.885 9.375 -29.297 1.00 30.22 C ATOM 1174 OE1 GLU A 71 -2.530 9.387 -30.494 1.00 44.50 O ATOM 1175 OE2 GLU A 71 -3.692 10.196 -28.813 1.00 71.40 O ATOM 0 H GLU A 71 -1.246 10.723 -25.760 1.00 60.11 H new ATOM 0 HA GLU A 71 -2.759 8.345 -25.896 1.00 65.23 H new ATOM 0 HB2 GLU A 71 -1.166 9.933 -27.590 1.00 3.54 H new ATOM 0 HB3 GLU A 71 -0.342 8.388 -27.546 1.00 3.54 H new ATOM 0 HG2 GLU A 71 -1.821 7.543 -28.991 1.00 2.31 H new ATOM 0 HG3 GLU A 71 -3.117 7.821 -27.844 1.00 2.31 H new ATOM 1182 N HIS A 72 0.358 8.047 -24.866 1.00 4.45 N ATOM 1183 CA HIS A 72 1.299 7.142 -24.215 1.00 73.42 C ATOM 1184 C HIS A 72 1.048 7.086 -22.711 1.00 40.42 C ATOM 1185 O HIS A 72 1.439 6.130 -22.041 1.00 51.40 O ATOM 1186 CB HIS A 72 2.737 7.583 -24.488 1.00 52.04 C ATOM 1187 CG HIS A 72 3.695 6.442 -24.641 1.00 72.01 C ATOM 1188 ND1 HIS A 72 3.515 5.425 -25.555 1.00 50.42 N ATOM 1189 CD2 HIS A 72 4.848 6.161 -23.990 1.00 41.24 C ATOM 1190 CE1 HIS A 72 4.515 4.568 -25.459 1.00 61.30 C ATOM 1191 NE2 HIS A 72 5.338 4.991 -24.517 1.00 3.50 N ATOM 0 H HIS A 72 0.702 9.000 -24.983 1.00 4.45 H new ATOM 0 HA HIS A 72 1.149 6.144 -24.628 1.00 73.42 H new ATOM 0 HB2 HIS A 72 2.757 8.187 -25.395 1.00 52.04 H new ATOM 0 HB3 HIS A 72 3.073 8.222 -23.672 1.00 52.04 H new ATOM 0 HD2 HIS A 72 5.299 6.747 -23.203 1.00 41.24 H new ATOM 0 HE1 HIS A 72 4.639 3.673 -26.051 1.00 61.30 H new ATOM 0 HE2 HIS A 72 6.198 4.525 -24.228 1.00 3.50 H new ATOM 1199 N PHE A 73 0.395 8.118 -22.187 1.00 34.01 N ATOM 1200 CA PHE A 73 0.093 8.188 -20.762 1.00 24.22 C ATOM 1201 C PHE A 73 -1.114 7.320 -20.418 1.00 24.12 C ATOM 1202 O PHE A 73 -1.061 6.497 -19.504 1.00 20.50 O ATOM 1203 CB PHE A 73 -0.170 9.636 -20.345 1.00 13.20 C ATOM 1204 CG PHE A 73 0.979 10.560 -20.629 1.00 2.43 C ATOM 1205 CD1 PHE A 73 0.753 11.881 -20.980 1.00 52.24 C ATOM 1206 CD2 PHE A 73 2.286 10.108 -20.544 1.00 61.02 C ATOM 1207 CE1 PHE A 73 1.808 12.735 -21.242 1.00 24.52 C ATOM 1208 CE2 PHE A 73 3.346 10.957 -20.804 1.00 35.40 C ATOM 1209 CZ PHE A 73 3.106 12.271 -21.154 1.00 44.14 C ATOM 0 H PHE A 73 0.065 8.917 -22.728 1.00 34.01 H new ATOM 0 HA PHE A 73 0.957 7.811 -20.214 1.00 24.22 H new ATOM 0 HB2 PHE A 73 -1.056 10.000 -20.865 1.00 13.20 H new ATOM 0 HB3 PHE A 73 -0.393 9.664 -19.278 1.00 13.20 H new ATOM 0 HD1 PHE A 73 -0.260 12.248 -21.050 1.00 52.24 H new ATOM 0 HD2 PHE A 73 2.479 9.081 -20.272 1.00 61.02 H new ATOM 0 HE1 PHE A 73 1.618 13.763 -21.515 1.00 24.52 H new ATOM 0 HE2 PHE A 73 4.360 10.593 -20.733 1.00 35.40 H new ATOM 0 HZ PHE A 73 3.932 12.935 -21.359 1.00 44.14 H new ATOM 1219 N LYS A 74 -2.202 7.511 -21.156 1.00 65.34 N ATOM 1220 CA LYS A 74 -3.423 6.746 -20.932 1.00 42.41 C ATOM 1221 C LYS A 74 -3.148 5.248 -21.007 1.00 74.25 C ATOM 1222 O LYS A 74 -3.886 4.443 -20.440 1.00 11.04 O ATOM 1223 CB LYS A 74 -4.487 7.133 -21.961 1.00 52.15 C ATOM 1224 CG LYS A 74 -5.716 6.241 -21.930 1.00 60.14 C ATOM 1225 CD LYS A 74 -5.617 5.120 -22.951 1.00 71.22 C ATOM 1226 CE LYS A 74 -6.280 3.847 -22.447 1.00 54.15 C ATOM 1227 NZ LYS A 74 -7.623 3.642 -23.058 1.00 41.24 N ATOM 0 H LYS A 74 -2.263 8.190 -21.915 1.00 65.34 H new ATOM 0 HA LYS A 74 -3.791 6.980 -19.933 1.00 42.41 H new ATOM 0 HB2 LYS A 74 -4.792 8.164 -21.785 1.00 52.15 H new ATOM 0 HB3 LYS A 74 -4.047 7.097 -22.958 1.00 52.15 H new ATOM 0 HG2 LYS A 74 -5.834 5.817 -20.933 1.00 60.14 H new ATOM 0 HG3 LYS A 74 -6.606 6.839 -22.129 1.00 60.14 H new ATOM 0 HD2 LYS A 74 -6.088 5.433 -23.883 1.00 71.22 H new ATOM 0 HD3 LYS A 74 -4.569 4.922 -23.175 1.00 71.22 H new ATOM 0 HE2 LYS A 74 -5.643 2.992 -22.674 1.00 54.15 H new ATOM 0 HE3 LYS A 74 -6.378 3.893 -21.362 1.00 54.15 H new ATOM 0 HZ1 LYS A 74 -8.042 2.764 -22.689 1.00 41.24 H new ATOM 0 HZ2 LYS A 74 -8.239 4.446 -22.821 1.00 41.24 H new ATOM 0 HZ3 LYS A 74 -7.527 3.572 -24.091 1.00 41.24 H new ATOM 1241 N ALA A 75 -2.082 4.881 -21.711 1.00 33.31 N ATOM 1242 CA ALA A 75 -1.709 3.479 -21.857 1.00 0.31 C ATOM 1243 C ALA A 75 -0.875 3.007 -20.671 1.00 31.22 C ATOM 1244 O ALA A 75 -0.919 1.835 -20.295 1.00 41.20 O ATOM 1245 CB ALA A 75 -0.947 3.269 -23.157 1.00 74.32 C ATOM 0 H ALA A 75 -1.462 5.535 -22.189 1.00 33.31 H new ATOM 0 HA ALA A 75 -2.623 2.886 -21.884 1.00 0.31 H new ATOM 0 HB1 ALA A 75 -0.675 2.218 -23.253 1.00 74.32 H new ATOM 0 HB2 ALA A 75 -1.576 3.559 -23.998 1.00 74.32 H new ATOM 0 HB3 ALA A 75 -0.044 3.879 -23.152 1.00 74.32 H new ATOM 1251 N LYS A 76 -0.115 3.925 -20.085 1.00 1.43 N ATOM 1252 CA LYS A 76 0.729 3.604 -18.940 1.00 65.23 C ATOM 1253 C LYS A 76 -0.063 2.858 -17.872 1.00 14.23 C ATOM 1254 O LYS A 76 0.455 1.952 -17.219 1.00 61.01 O ATOM 1255 CB LYS A 76 1.329 4.881 -18.348 1.00 14.25 C ATOM 1256 CG LYS A 76 2.579 4.639 -17.520 1.00 43.33 C ATOM 1257 CD LYS A 76 3.820 5.172 -18.217 1.00 2.13 C ATOM 1258 CE LYS A 76 5.087 4.800 -17.461 1.00 14.22 C ATOM 1259 NZ LYS A 76 5.988 5.972 -17.278 1.00 72.42 N ATOM 0 H LYS A 76 -0.066 4.899 -20.384 1.00 1.43 H new ATOM 0 HA LYS A 76 1.536 2.958 -19.285 1.00 65.23 H new ATOM 0 HB2 LYS A 76 1.568 5.570 -19.158 1.00 14.25 H new ATOM 0 HB3 LYS A 76 0.580 5.370 -17.725 1.00 14.25 H new ATOM 0 HG2 LYS A 76 2.472 5.120 -16.548 1.00 43.33 H new ATOM 0 HG3 LYS A 76 2.694 3.571 -17.336 1.00 43.33 H new ATOM 0 HD2 LYS A 76 3.869 4.773 -19.230 1.00 2.13 H new ATOM 0 HD3 LYS A 76 3.752 6.256 -18.304 1.00 2.13 H new ATOM 0 HE2 LYS A 76 4.821 4.390 -16.486 1.00 14.22 H new ATOM 0 HE3 LYS A 76 5.616 4.016 -18.003 1.00 14.22 H new ATOM 0 HZ1 LYS A 76 6.840 5.677 -16.759 1.00 72.42 H new ATOM 0 HZ2 LYS A 76 6.262 6.348 -18.208 1.00 72.42 H new ATOM 0 HZ3 LYS A 76 5.492 6.710 -16.739 1.00 72.42 H new ATOM 1273 N PHE A 77 -1.323 3.244 -17.699 1.00 12.32 N ATOM 1274 CA PHE A 77 -2.188 2.612 -16.709 1.00 62.45 C ATOM 1275 C PHE A 77 -2.146 1.092 -16.843 1.00 1.11 C ATOM 1276 O PHE A 77 -2.199 0.369 -15.848 1.00 42.43 O ATOM 1277 CB PHE A 77 -3.626 3.109 -16.866 1.00 13.14 C ATOM 1278 CG PHE A 77 -4.038 4.093 -15.808 1.00 53.24 C ATOM 1279 CD1 PHE A 77 -3.973 5.456 -16.049 1.00 2.24 C ATOM 1280 CD2 PHE A 77 -4.491 3.655 -14.574 1.00 43.21 C ATOM 1281 CE1 PHE A 77 -4.352 6.365 -15.078 1.00 25.50 C ATOM 1282 CE2 PHE A 77 -4.871 4.559 -13.600 1.00 32.30 C ATOM 1283 CZ PHE A 77 -4.800 5.915 -13.852 1.00 33.03 C ATOM 0 H PHE A 77 -1.768 3.992 -18.232 1.00 12.32 H new ATOM 0 HA PHE A 77 -1.824 2.883 -15.718 1.00 62.45 H new ATOM 0 HB2 PHE A 77 -3.737 3.573 -17.846 1.00 13.14 H new ATOM 0 HB3 PHE A 77 -4.302 2.255 -16.840 1.00 13.14 H new ATOM 0 HD1 PHE A 77 -3.622 5.813 -17.006 1.00 2.24 H new ATOM 0 HD2 PHE A 77 -4.548 2.596 -14.371 1.00 43.21 H new ATOM 0 HE1 PHE A 77 -4.298 7.425 -15.278 1.00 25.50 H new ATOM 0 HE2 PHE A 77 -5.223 4.205 -12.642 1.00 32.30 H new ATOM 0 HZ PHE A 77 -5.095 6.623 -13.091 1.00 33.03 H new ATOM 1293 N ALA A 78 -2.051 0.615 -18.080 1.00 11.13 N ATOM 1294 CA ALA A 78 -2.001 -0.817 -18.344 1.00 63.42 C ATOM 1295 C ALA A 78 -0.739 -1.440 -17.756 1.00 33.24 C ATOM 1296 O ALA A 78 -0.768 -2.563 -17.253 1.00 3.14 O ATOM 1297 CB ALA A 78 -2.073 -1.081 -19.841 1.00 45.40 C ATOM 0 H ALA A 78 -2.007 1.200 -18.915 1.00 11.13 H new ATOM 0 HA ALA A 78 -2.862 -1.280 -17.862 1.00 63.42 H new ATOM 0 HB1 ALA A 78 -2.035 -2.155 -20.023 1.00 45.40 H new ATOM 0 HB2 ALA A 78 -3.006 -0.679 -20.237 1.00 45.40 H new ATOM 0 HB3 ALA A 78 -1.230 -0.599 -20.336 1.00 45.40 H new ATOM 1303 N GLU A 79 0.366 -0.704 -17.823 1.00 34.11 N ATOM 1304 CA GLU A 79 1.637 -1.187 -17.297 1.00 43.44 C ATOM 1305 C GLU A 79 1.776 -0.850 -15.815 1.00 64.34 C ATOM 1306 O GLU A 79 2.547 -1.484 -15.093 1.00 10.01 O ATOM 1307 CB GLU A 79 2.802 -0.578 -18.081 1.00 62.22 C ATOM 1308 CG GLU A 79 4.138 -0.681 -17.364 1.00 12.40 C ATOM 1309 CD GLU A 79 5.318 -0.544 -18.306 1.00 51.32 C ATOM 1310 OE1 GLU A 79 6.443 -0.907 -17.903 1.00 40.15 O ATOM 1311 OE2 GLU A 79 5.117 -0.073 -19.445 1.00 60.53 O ATOM 0 H GLU A 79 0.407 0.228 -18.236 1.00 34.11 H new ATOM 0 HA GLU A 79 1.659 -2.271 -17.409 1.00 43.44 H new ATOM 0 HB2 GLU A 79 2.878 -1.076 -19.047 1.00 62.22 H new ATOM 0 HB3 GLU A 79 2.586 0.472 -18.280 1.00 62.22 H new ATOM 0 HG2 GLU A 79 4.196 0.094 -16.600 1.00 12.40 H new ATOM 0 HG3 GLU A 79 4.197 -1.641 -16.850 1.00 12.40 H new ATOM 1318 N LEU A 80 1.026 0.151 -15.369 1.00 61.03 N ATOM 1319 CA LEU A 80 1.065 0.573 -13.973 1.00 50.24 C ATOM 1320 C LEU A 80 0.849 -0.613 -13.039 1.00 64.34 C ATOM 1321 O LEU A 80 1.531 -0.748 -12.022 1.00 74.11 O ATOM 1322 CB LEU A 80 0.001 1.641 -13.713 1.00 44.44 C ATOM 1323 CG LEU A 80 0.120 2.399 -12.390 1.00 60.33 C ATOM 1324 CD1 LEU A 80 -0.631 3.719 -12.462 1.00 10.12 C ATOM 1325 CD2 LEU A 80 -0.401 1.548 -11.241 1.00 4.54 C ATOM 0 H LEU A 80 0.383 0.686 -15.953 1.00 61.03 H new ATOM 0 HA LEU A 80 2.051 0.994 -13.774 1.00 50.24 H new ATOM 0 HB2 LEU A 80 0.035 2.365 -14.528 1.00 44.44 H new ATOM 0 HB3 LEU A 80 -0.979 1.165 -13.749 1.00 44.44 H new ATOM 0 HG LEU A 80 1.173 2.614 -12.209 1.00 60.33 H new ATOM 0 HD11 LEU A 80 -0.535 4.244 -11.512 1.00 10.12 H new ATOM 0 HD12 LEU A 80 -0.213 4.333 -13.260 1.00 10.12 H new ATOM 0 HD13 LEU A 80 -1.684 3.528 -12.666 1.00 10.12 H new ATOM 0 HD21 LEU A 80 -0.309 2.102 -10.307 1.00 4.54 H new ATOM 0 HD22 LEU A 80 -1.449 1.303 -11.416 1.00 4.54 H new ATOM 0 HD23 LEU A 80 0.181 0.629 -11.176 1.00 4.54 H new ATOM 1337 N LEU A 81 -0.100 -1.472 -13.392 1.00 75.34 N ATOM 1338 CA LEU A 81 -0.405 -2.650 -12.587 1.00 3.10 C ATOM 1339 C LEU A 81 0.772 -3.620 -12.575 1.00 22.22 C ATOM 1340 O LEU A 81 0.947 -4.386 -11.628 1.00 2.14 O ATOM 1341 CB LEU A 81 -1.653 -3.351 -13.125 1.00 31.41 C ATOM 1342 CG LEU A 81 -2.925 -3.190 -12.292 1.00 31.33 C ATOM 1343 CD1 LEU A 81 -4.159 -3.358 -13.164 1.00 35.40 C ATOM 1344 CD2 LEU A 81 -2.941 -4.189 -11.144 1.00 22.22 C ATOM 0 H LEU A 81 -0.672 -1.375 -14.231 1.00 75.34 H new ATOM 0 HA LEU A 81 -0.593 -2.322 -11.565 1.00 3.10 H new ATOM 0 HB2 LEU A 81 -1.851 -2.977 -14.130 1.00 31.41 H new ATOM 0 HB3 LEU A 81 -1.436 -4.415 -13.218 1.00 31.41 H new ATOM 0 HG LEU A 81 -2.936 -2.184 -11.872 1.00 31.33 H new ATOM 0 HD11 LEU A 81 -5.054 -3.240 -12.554 1.00 35.40 H new ATOM 0 HD12 LEU A 81 -4.154 -2.604 -13.951 1.00 35.40 H new ATOM 0 HD13 LEU A 81 -4.154 -4.351 -13.614 1.00 35.40 H new ATOM 0 HD21 LEU A 81 -3.853 -4.060 -10.562 1.00 22.22 H new ATOM 0 HD22 LEU A 81 -2.906 -5.203 -11.543 1.00 22.22 H new ATOM 0 HD23 LEU A 81 -2.075 -4.021 -10.503 1.00 22.22 H new ATOM 1356 N GLU A 82 1.577 -3.580 -13.632 1.00 52.12 N ATOM 1357 CA GLU A 82 2.738 -4.455 -13.741 1.00 60.15 C ATOM 1358 C GLU A 82 3.935 -3.865 -13.001 1.00 62.53 C ATOM 1359 O GLU A 82 4.669 -4.580 -12.320 1.00 22.43 O ATOM 1360 CB GLU A 82 3.096 -4.684 -15.212 1.00 15.15 C ATOM 1361 CG GLU A 82 1.932 -5.186 -16.050 1.00 21.32 C ATOM 1362 CD GLU A 82 1.266 -6.409 -15.450 1.00 20.33 C ATOM 1363 OE1 GLU A 82 0.028 -6.390 -15.287 1.00 11.22 O ATOM 1364 OE2 GLU A 82 1.982 -7.385 -15.143 1.00 21.11 O ATOM 0 H GLU A 82 1.446 -2.951 -14.425 1.00 52.12 H new ATOM 0 HA GLU A 82 2.485 -5.411 -13.283 1.00 60.15 H new ATOM 0 HB2 GLU A 82 3.463 -3.750 -15.638 1.00 15.15 H new ATOM 0 HB3 GLU A 82 3.912 -5.404 -15.271 1.00 15.15 H new ATOM 0 HG2 GLU A 82 1.195 -4.390 -16.155 1.00 21.32 H new ATOM 0 HG3 GLU A 82 2.287 -5.425 -17.052 1.00 21.32 H new ATOM 1371 N GLN A 83 4.125 -2.558 -13.142 1.00 51.51 N ATOM 1372 CA GLN A 83 5.233 -1.872 -12.488 1.00 64.12 C ATOM 1373 C GLN A 83 5.210 -2.113 -10.982 1.00 52.34 C ATOM 1374 O GLN A 83 6.242 -2.035 -10.316 1.00 53.34 O ATOM 1375 CB GLN A 83 5.175 -0.371 -12.778 1.00 33.32 C ATOM 1376 CG GLN A 83 6.123 0.073 -13.880 1.00 11.12 C ATOM 1377 CD GLN A 83 7.563 0.152 -13.414 1.00 3.23 C ATOM 1378 OE1 GLN A 83 8.418 -0.609 -13.869 1.00 13.15 O ATOM 1379 NE2 GLN A 83 7.841 1.076 -12.502 1.00 13.55 N ATOM 0 H GLN A 83 3.526 -1.952 -13.703 1.00 51.51 H new ATOM 0 HA GLN A 83 6.163 -2.276 -12.888 1.00 64.12 H new ATOM 0 HB2 GLN A 83 4.156 -0.102 -13.057 1.00 33.32 H new ATOM 0 HB3 GLN A 83 5.411 0.176 -11.865 1.00 33.32 H new ATOM 0 HG2 GLN A 83 6.053 -0.623 -14.716 1.00 11.12 H new ATOM 0 HG3 GLN A 83 5.811 1.049 -14.251 1.00 11.12 H new ATOM 0 HE21 GLN A 83 7.102 1.686 -12.152 1.00 13.55 H new ATOM 0 HE22 GLN A 83 8.794 1.176 -12.151 1.00 13.55 H new ATOM 1388 N GLN A 84 4.026 -2.405 -10.453 1.00 42.22 N ATOM 1389 CA GLN A 84 3.869 -2.656 -9.025 1.00 42.54 C ATOM 1390 C GLN A 84 4.877 -3.693 -8.541 1.00 34.01 C ATOM 1391 O GLN A 84 5.513 -3.519 -7.501 1.00 54.52 O ATOM 1392 CB GLN A 84 2.446 -3.129 -8.723 1.00 4.44 C ATOM 1393 CG GLN A 84 1.851 -2.504 -7.471 1.00 20.10 C ATOM 1394 CD GLN A 84 1.233 -3.532 -6.543 1.00 42.33 C ATOM 1395 OE1 GLN A 84 -0.093 -3.577 -6.509 1.00 44.15 O flip ATOM 1396 NE2 GLN A 84 1.940 -4.277 -5.864 1.00 55.10 N flip ATOM 0 H GLN A 84 3.162 -2.474 -10.991 1.00 42.22 H new ATOM 0 HA GLN A 84 4.054 -1.722 -8.494 1.00 42.54 H new ATOM 0 HB2 GLN A 84 1.806 -2.897 -9.574 1.00 4.44 H new ATOM 0 HB3 GLN A 84 2.448 -4.213 -8.612 1.00 4.44 H new ATOM 0 HG2 GLN A 84 2.629 -1.959 -6.937 1.00 20.10 H new ATOM 0 HG3 GLN A 84 1.092 -1.776 -7.758 1.00 20.10 H new ATOM 0 HE21 GLN A 84 2.956 -4.208 -5.921 1.00 55.10 H new ATOM 0 HE22 GLN A 84 1.510 -4.963 -5.244 1.00 55.10 H new ATOM 1405 N LYS A 85 5.017 -4.774 -9.301 1.00 10.13 N ATOM 1406 CA LYS A 85 5.948 -5.840 -8.950 1.00 74.44 C ATOM 1407 C LYS A 85 7.355 -5.517 -9.441 1.00 62.21 C ATOM 1408 O LYS A 85 8.341 -5.830 -8.776 1.00 4.45 O ATOM 1409 CB LYS A 85 5.480 -7.170 -9.548 1.00 4.41 C ATOM 1410 CG LYS A 85 4.740 -8.054 -8.560 1.00 23.05 C ATOM 1411 CD LYS A 85 5.319 -9.459 -8.526 1.00 50.42 C ATOM 1412 CE LYS A 85 4.322 -10.459 -7.961 1.00 4.25 C ATOM 1413 NZ LYS A 85 4.419 -11.782 -8.637 1.00 44.33 N ATOM 0 H LYS A 85 4.498 -4.935 -10.164 1.00 10.13 H new ATOM 0 HA LYS A 85 5.972 -5.925 -7.864 1.00 74.44 H new ATOM 0 HB2 LYS A 85 4.830 -6.967 -10.399 1.00 4.41 H new ATOM 0 HB3 LYS A 85 6.345 -7.712 -9.930 1.00 4.41 H new ATOM 0 HG2 LYS A 85 4.794 -7.613 -7.565 1.00 23.05 H new ATOM 0 HG3 LYS A 85 3.685 -8.101 -8.831 1.00 23.05 H new ATOM 0 HD2 LYS A 85 5.606 -9.760 -9.534 1.00 50.42 H new ATOM 0 HD3 LYS A 85 6.225 -9.466 -7.921 1.00 50.42 H new ATOM 0 HE2 LYS A 85 4.498 -10.583 -6.893 1.00 4.25 H new ATOM 0 HE3 LYS A 85 3.311 -10.067 -8.074 1.00 4.25 H new ATOM 0 HZ1 LYS A 85 3.723 -12.435 -8.223 1.00 44.33 H new ATOM 0 HZ2 LYS A 85 4.226 -11.668 -9.652 1.00 44.33 H new ATOM 0 HZ3 LYS A 85 5.376 -12.168 -8.508 1.00 44.33 H new ATOM 1427 N ASN A 86 7.440 -4.888 -10.609 1.00 61.40 N ATOM 1428 CA ASN A 86 8.728 -4.522 -11.188 1.00 15.00 C ATOM 1429 C ASN A 86 9.574 -3.745 -10.184 1.00 62.51 C ATOM 1430 O ASN A 86 10.711 -4.118 -9.897 1.00 3.25 O ATOM 1431 CB ASN A 86 8.522 -3.686 -12.453 1.00 70.30 C ATOM 1432 CG ASN A 86 9.803 -3.513 -13.246 1.00 70.10 C ATOM 1433 OD1 ASN A 86 10.119 -4.320 -14.121 1.00 14.04 O ATOM 1434 ND2 ASN A 86 10.548 -2.457 -12.943 1.00 2.43 N ATOM 0 H ASN A 86 6.633 -4.621 -11.173 1.00 61.40 H new ATOM 0 HA ASN A 86 9.256 -5.439 -11.448 1.00 15.00 H new ATOM 0 HB2 ASN A 86 7.770 -4.163 -13.082 1.00 70.30 H new ATOM 0 HB3 ASN A 86 8.133 -2.706 -12.178 1.00 70.30 H new ATOM 0 HD21 ASN A 86 11.421 -2.288 -13.443 1.00 2.43 H new ATOM 0 HD22 ASN A 86 10.247 -1.814 -12.210 1.00 2.43 H new ATOM 1441 N ALA A 87 9.011 -2.665 -9.654 1.00 11.21 N ATOM 1442 CA ALA A 87 9.712 -1.837 -8.680 1.00 64.33 C ATOM 1443 C ALA A 87 10.241 -2.679 -7.524 1.00 65.21 C ATOM 1444 O ALA A 87 11.444 -2.706 -7.265 1.00 21.44 O ATOM 1445 CB ALA A 87 8.794 -0.741 -8.161 1.00 4.14 C ATOM 0 H ALA A 87 8.071 -2.342 -9.883 1.00 11.21 H new ATOM 0 HA ALA A 87 10.564 -1.375 -9.178 1.00 64.33 H new ATOM 0 HB1 ALA A 87 9.331 -0.131 -7.435 1.00 4.14 H new ATOM 0 HB2 ALA A 87 8.469 -0.115 -8.992 1.00 4.14 H new ATOM 0 HB3 ALA A 87 7.923 -1.191 -7.684 1.00 4.14 H new ATOM 1451 N GLN A 88 9.335 -3.363 -6.833 1.00 63.44 N ATOM 1452 CA GLN A 88 9.712 -4.205 -5.704 1.00 2.23 C ATOM 1453 C GLN A 88 10.463 -3.397 -4.650 1.00 62.32 C ATOM 1454 O GLN A 88 11.235 -3.948 -3.864 1.00 75.13 O ATOM 1455 CB GLN A 88 10.576 -5.375 -6.178 1.00 12.12 C ATOM 1456 CG GLN A 88 10.229 -6.696 -5.511 1.00 25.23 C ATOM 1457 CD GLN A 88 11.364 -7.237 -4.663 1.00 11.12 C ATOM 1458 OE1 GLN A 88 12.538 -7.018 -4.963 1.00 52.31 O ATOM 1459 NE2 GLN A 88 11.019 -7.948 -3.596 1.00 31.12 N ATOM 0 H GLN A 88 8.335 -3.351 -7.035 1.00 63.44 H new ATOM 0 HA GLN A 88 8.799 -4.596 -5.254 1.00 2.23 H new ATOM 0 HB2 GLN A 88 10.467 -5.483 -7.257 1.00 12.12 H new ATOM 0 HB3 GLN A 88 11.624 -5.144 -5.985 1.00 12.12 H new ATOM 0 HG2 GLN A 88 9.346 -6.562 -4.887 1.00 25.23 H new ATOM 0 HG3 GLN A 88 9.971 -7.428 -6.276 1.00 25.23 H new ATOM 0 HE21 GLN A 88 10.034 -8.105 -3.385 1.00 31.12 H new ATOM 0 HE22 GLN A 88 11.739 -8.337 -2.988 1.00 31.12 H new ATOM 1468 N PHE A 89 10.233 -2.089 -4.640 1.00 1.52 N ATOM 1469 CA PHE A 89 10.889 -1.204 -3.684 1.00 21.55 C ATOM 1470 C PHE A 89 9.873 -0.589 -2.726 1.00 52.32 C ATOM 1471 O PHE A 89 9.549 0.597 -2.802 1.00 64.23 O ATOM 1472 CB PHE A 89 11.650 -0.099 -4.418 1.00 10.41 C ATOM 1473 CG PHE A 89 12.943 -0.562 -5.025 1.00 71.34 C ATOM 1474 CD1 PHE A 89 13.202 -0.363 -6.372 1.00 33.30 C ATOM 1475 CD2 PHE A 89 13.899 -1.198 -4.250 1.00 45.30 C ATOM 1476 CE1 PHE A 89 14.391 -0.788 -6.934 1.00 73.52 C ATOM 1477 CE2 PHE A 89 15.090 -1.625 -4.807 1.00 3.55 C ATOM 1478 CZ PHE A 89 15.336 -1.421 -6.150 1.00 53.25 C ATOM 0 H PHE A 89 9.597 -1.618 -5.283 1.00 1.52 H new ATOM 0 HA PHE A 89 11.596 -1.797 -3.104 1.00 21.55 H new ATOM 0 HB2 PHE A 89 11.014 0.308 -5.204 1.00 10.41 H new ATOM 0 HB3 PHE A 89 11.856 0.714 -3.721 1.00 10.41 H new ATOM 0 HD1 PHE A 89 12.466 0.130 -6.990 1.00 33.30 H new ATOM 0 HD2 PHE A 89 13.712 -1.362 -3.199 1.00 45.30 H new ATOM 0 HE1 PHE A 89 14.581 -0.625 -7.985 1.00 73.52 H new ATOM 0 HE2 PHE A 89 15.828 -2.118 -4.192 1.00 3.55 H new ATOM 0 HZ PHE A 89 16.265 -1.756 -6.587 1.00 53.25 H new ATOM 1488 N PRO A 90 9.356 -1.413 -1.803 1.00 12.22 N ATOM 1489 CA PRO A 90 8.369 -0.972 -0.813 1.00 33.44 C ATOM 1490 C PRO A 90 8.969 -0.028 0.224 1.00 74.41 C ATOM 1491 O PRO A 90 8.269 0.804 0.798 1.00 15.23 O ATOM 1492 CB PRO A 90 7.922 -2.279 -0.151 1.00 44.33 C ATOM 1493 CG PRO A 90 9.071 -3.209 -0.337 1.00 70.13 C ATOM 1494 CD PRO A 90 9.696 -2.838 -1.654 1.00 14.21 C ATOM 0 HA PRO A 90 7.555 -0.410 -1.272 1.00 33.44 H new ATOM 0 HB2 PRO A 90 7.699 -2.132 0.906 1.00 44.33 H new ATOM 0 HB3 PRO A 90 7.017 -2.669 -0.616 1.00 44.33 H new ATOM 0 HG2 PRO A 90 9.789 -3.110 0.477 1.00 70.13 H new ATOM 0 HG3 PRO A 90 8.736 -4.246 -0.342 1.00 70.13 H new ATOM 0 HD2 PRO A 90 10.775 -2.995 -1.645 1.00 14.21 H new ATOM 0 HD3 PRO A 90 9.293 -3.435 -2.472 1.00 14.21 H new ATOM 1502 N GLY A 91 10.271 -0.164 0.458 1.00 35.00 N ATOM 1503 CA GLY A 91 10.943 0.684 1.425 1.00 35.23 C ATOM 1504 C GLY A 91 11.087 0.017 2.779 1.00 41.30 C ATOM 1505 O GLY A 91 12.156 0.057 3.388 1.00 24.31 O ATOM 0 H GLY A 91 10.872 -0.846 -0.005 1.00 35.00 H new ATOM 0 HA2 GLY A 91 11.930 0.949 1.047 1.00 35.23 H new ATOM 0 HA3 GLY A 91 10.385 1.613 1.539 1.00 35.23 H new ATOM 1509 N LYS A 92 10.008 -0.596 3.253 1.00 51.00 N ATOM 1510 CA LYS A 92 10.018 -1.274 4.544 1.00 74.13 C ATOM 1511 C LYS A 92 11.053 -2.394 4.562 1.00 31.21 C ATOM 1512 O LYS A 92 11.796 -2.582 3.598 1.00 13.12 O ATOM 1513 CB LYS A 92 8.631 -1.842 4.855 1.00 10.32 C ATOM 1514 CG LYS A 92 8.487 -2.349 6.280 1.00 64.14 C ATOM 1515 CD LYS A 92 7.175 -3.089 6.478 1.00 23.33 C ATOM 1516 CE LYS A 92 7.316 -4.570 6.158 1.00 44.52 C ATOM 1517 NZ LYS A 92 6.126 -5.096 5.435 1.00 33.52 N ATOM 0 H LYS A 92 9.115 -0.637 2.762 1.00 51.00 H new ATOM 0 HA LYS A 92 10.285 -0.544 5.308 1.00 74.13 H new ATOM 0 HB2 LYS A 92 7.883 -1.070 4.676 1.00 10.32 H new ATOM 0 HB3 LYS A 92 8.419 -2.658 4.165 1.00 10.32 H new ATOM 0 HG2 LYS A 92 9.319 -3.012 6.517 1.00 64.14 H new ATOM 0 HG3 LYS A 92 8.541 -1.509 6.973 1.00 64.14 H new ATOM 0 HD2 LYS A 92 6.840 -2.969 7.508 1.00 23.33 H new ATOM 0 HD3 LYS A 92 6.408 -2.649 5.840 1.00 23.33 H new ATOM 0 HE2 LYS A 92 8.208 -4.727 5.552 1.00 44.52 H new ATOM 0 HE3 LYS A 92 7.456 -5.130 7.083 1.00 44.52 H new ATOM 0 HZ1 LYS A 92 6.260 -6.108 5.235 1.00 33.52 H new ATOM 0 HZ2 LYS A 92 5.278 -4.969 6.024 1.00 33.52 H new ATOM 0 HZ3 LYS A 92 6.007 -4.579 4.540 1.00 33.52 H new TER 1531 LYS A 92