USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0.115 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.118 X(o=0.23,f=0) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 1.12 (180deg=0.934) USER MOD Single : A 7 HIS : no HE2:sc= 0.153 K(o=0.15,f=-1.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.32) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.508 K(o=-0.51,f=-5.9!) USER MOD Single : A 22 SER OG : rot 180:sc= -2.38! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 4:sc= 0.0401 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= -0.0248 (180deg=-0.149) USER MOD Single : A 40 SER OG : rot 180:sc= 0.292 USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= 0.81 (180deg=-0.283) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc=-0.000521 (180deg=-0.0341) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0421 K(o=-0.042,f=-2.1) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.483 K(o=-0.48,f=0.13) USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -0.582 (180deg=-3.66!) USER MOD Single : A 86 MET CE :methyl -147:sc= -1.17 (180deg=-3.41!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.67) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 89:sc= 0.338 USER MOD Single : A 112 LYS NZ :NH3+ 173:sc=-0.00311 (180deg=-0.0643) USER MOD Single : A 117 SER OG : rot 67:sc= 0.229 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -0.629 17.895 -3.814 1.00 11.02 N ATOM 43 CA LYS A 3 -1.488 17.090 -2.916 1.00 35.12 C ATOM 44 C LYS A 3 -1.131 17.348 -1.434 1.00 73.10 C ATOM 45 O LYS A 3 -0.297 18.197 -1.125 1.00 51.33 O ATOM 46 CB LYS A 3 -1.294 15.584 -3.269 1.00 34.41 C ATOM 47 CG LYS A 3 -1.448 15.245 -4.771 1.00 35.32 C ATOM 48 CD LYS A 3 -2.908 15.185 -5.262 1.00 0.11 C ATOM 49 CE LYS A 3 -3.024 14.994 -6.789 1.00 24.33 C ATOM 50 NZ LYS A 3 -4.434 15.063 -7.245 1.00 70.34 N ATOM 0 HA LYS A 3 -2.531 17.375 -3.056 1.00 35.12 H new ATOM 0 HB2 LYS A 3 -0.302 15.273 -2.941 1.00 34.41 H new ATOM 0 HB3 LYS A 3 -2.016 14.996 -2.702 1.00 34.41 H new ATOM 0 HG2 LYS A 3 -0.911 15.991 -5.357 1.00 35.32 H new ATOM 0 HG3 LYS A 3 -0.972 14.284 -4.965 1.00 35.32 H new ATOM 0 HD2 LYS A 3 -3.421 14.365 -4.759 1.00 0.11 H new ATOM 0 HD3 LYS A 3 -3.419 16.104 -4.977 1.00 0.11 H new ATOM 0 HE2 LYS A 3 -2.439 15.761 -7.297 1.00 24.33 H new ATOM 0 HE3 LYS A 3 -2.598 14.031 -7.069 1.00 24.33 H new ATOM 0 HZ1 LYS A 3 -4.488 14.797 -8.249 1.00 70.34 H new ATOM 0 HZ2 LYS A 3 -5.013 14.408 -6.682 1.00 70.34 H new ATOM 0 HZ3 LYS A 3 -4.791 16.032 -7.124 1.00 70.34 H new ATOM 64 N GLU A 4 -1.789 16.627 -0.519 1.00 72.15 N ATOM 65 CA GLU A 4 -1.411 16.604 0.909 1.00 32.23 C ATOM 66 C GLU A 4 -1.136 15.156 1.349 1.00 61.42 C ATOM 67 O GLU A 4 -1.961 14.261 1.130 1.00 1.22 O ATOM 68 CB GLU A 4 -2.516 17.253 1.792 1.00 11.04 C ATOM 69 CG GLU A 4 -2.218 17.206 3.309 1.00 33.55 C ATOM 70 CD GLU A 4 -3.182 18.052 4.157 1.00 53.24 C ATOM 71 OE1 GLU A 4 -4.339 17.624 4.374 1.00 25.34 O ATOM 72 OE2 GLU A 4 -2.792 19.156 4.607 1.00 44.23 O ATOM 0 H GLU A 4 -2.596 16.044 -0.741 1.00 72.15 H new ATOM 0 HA GLU A 4 -0.502 17.191 1.040 1.00 32.23 H new ATOM 0 HB2 GLU A 4 -2.644 18.292 1.490 1.00 11.04 H new ATOM 0 HB3 GLU A 4 -3.462 16.746 1.602 1.00 11.04 H new ATOM 0 HG2 GLU A 4 -2.264 16.171 3.647 1.00 33.55 H new ATOM 0 HG3 GLU A 4 -1.199 17.552 3.481 1.00 33.55 H new ATOM 79 N LYS A 5 0.040 14.944 1.954 1.00 61.11 N ATOM 80 CA LYS A 5 0.443 13.638 2.496 1.00 14.52 C ATOM 81 C LYS A 5 -0.413 13.265 3.733 1.00 12.35 C ATOM 82 O LYS A 5 -0.590 14.076 4.644 1.00 62.34 O ATOM 83 CB LYS A 5 1.939 13.671 2.878 1.00 4.11 C ATOM 84 CG LYS A 5 2.473 12.370 3.507 1.00 55.02 C ATOM 85 CD LYS A 5 3.960 12.464 3.907 1.00 40.24 C ATOM 86 CE LYS A 5 4.242 13.566 4.947 1.00 72.51 C ATOM 87 NZ LYS A 5 5.686 13.675 5.265 1.00 65.13 N ATOM 0 H LYS A 5 0.741 15.674 2.082 1.00 61.11 H new ATOM 0 HA LYS A 5 0.282 12.880 1.729 1.00 14.52 H new ATOM 0 HB2 LYS A 5 2.523 13.893 1.985 1.00 4.11 H new ATOM 0 HB3 LYS A 5 2.103 14.491 3.578 1.00 4.11 H new ATOM 0 HG2 LYS A 5 1.879 12.128 4.388 1.00 55.02 H new ATOM 0 HG3 LYS A 5 2.343 11.550 2.800 1.00 55.02 H new ATOM 0 HD2 LYS A 5 4.283 11.503 4.309 1.00 40.24 H new ATOM 0 HD3 LYS A 5 4.558 12.654 3.016 1.00 40.24 H new ATOM 0 HE2 LYS A 5 3.881 14.522 4.568 1.00 72.51 H new ATOM 0 HE3 LYS A 5 3.685 13.354 5.860 1.00 72.51 H new ATOM 0 HZ1 LYS A 5 5.831 14.428 5.968 1.00 65.13 H new ATOM 0 HZ2 LYS A 5 6.026 12.771 5.651 1.00 65.13 H new ATOM 0 HZ3 LYS A 5 6.216 13.903 4.400 1.00 65.13 H new ATOM 101 N ILE A 6 -0.907 12.020 3.755 1.00 64.22 N ATOM 102 CA ILE A 6 -1.753 11.464 4.836 1.00 63.15 C ATOM 103 C ILE A 6 -1.338 9.985 5.070 1.00 53.03 C ATOM 104 O ILE A 6 -1.352 9.167 4.149 1.00 24.04 O ATOM 105 CB ILE A 6 -3.310 11.583 4.513 1.00 63.31 C ATOM 106 CG1 ILE A 6 -3.689 10.781 3.218 1.00 12.42 C ATOM 107 CG2 ILE A 6 -3.754 13.069 4.412 1.00 43.42 C ATOM 108 CD1 ILE A 6 -5.125 10.936 2.733 1.00 44.33 C ATOM 0 H ILE A 6 -0.729 11.350 3.007 1.00 64.22 H new ATOM 0 HA ILE A 6 -1.593 12.046 5.743 1.00 63.15 H new ATOM 0 HB ILE A 6 -3.854 11.135 5.345 1.00 63.31 H new ATOM 0 HG12 ILE A 6 -3.020 11.089 2.415 1.00 12.42 H new ATOM 0 HG13 ILE A 6 -3.501 9.723 3.401 1.00 12.42 H new ATOM 0 HG21 ILE A 6 -4.820 13.116 4.191 1.00 43.42 H new ATOM 0 HG22 ILE A 6 -3.557 13.573 5.358 1.00 43.42 H new ATOM 0 HG23 ILE A 6 -3.196 13.562 3.616 1.00 43.42 H new ATOM 0 HD11 ILE A 6 -5.272 10.338 1.834 1.00 44.33 H new ATOM 0 HD12 ILE A 6 -5.810 10.597 3.510 1.00 44.33 H new ATOM 0 HD13 ILE A 6 -5.322 11.984 2.508 1.00 44.33 H new ATOM 120 N HIS A 7 -0.886 9.656 6.287 1.00 43.23 N ATOM 121 CA HIS A 7 -0.498 8.270 6.632 1.00 52.32 C ATOM 122 C HIS A 7 -1.669 7.541 7.346 1.00 3.12 C ATOM 123 O HIS A 7 -2.107 7.938 8.431 1.00 63.10 O ATOM 124 CB HIS A 7 0.812 8.255 7.464 1.00 2.13 C ATOM 125 CG HIS A 7 0.751 8.957 8.792 1.00 74.21 C ATOM 126 ND1 HIS A 7 0.349 8.330 9.950 1.00 54.54 N ATOM 127 CD2 HIS A 7 1.043 10.231 9.144 1.00 22.04 C ATOM 128 CE1 HIS A 7 0.394 9.180 10.950 1.00 41.04 C ATOM 129 NE2 HIS A 7 0.809 10.340 10.492 1.00 42.10 N ATOM 0 H HIS A 7 -0.778 10.323 7.051 1.00 43.23 H new ATOM 0 HA HIS A 7 -0.291 7.720 5.714 1.00 52.32 H new ATOM 0 HB2 HIS A 7 1.100 7.218 7.635 1.00 2.13 H new ATOM 0 HB3 HIS A 7 1.603 8.711 6.869 1.00 2.13 H new ATOM 0 HD1 HIS A 7 0.060 7.354 10.020 1.00 54.54 H new ATOM 0 HD2 HIS A 7 1.394 11.014 8.488 1.00 22.04 H new ATOM 0 HE1 HIS A 7 0.134 8.963 11.975 1.00 41.04 H new ATOM 138 N LEU A 8 -2.200 6.493 6.691 1.00 23.44 N ATOM 139 CA LEU A 8 -3.332 5.696 7.204 1.00 23.30 C ATOM 140 C LEU A 8 -2.798 4.406 7.873 1.00 24.42 C ATOM 141 O LEU A 8 -2.187 3.558 7.212 1.00 44.44 O ATOM 142 CB LEU A 8 -4.342 5.355 6.060 1.00 0.04 C ATOM 143 CG LEU A 8 -5.372 6.480 5.685 1.00 12.33 C ATOM 144 CD1 LEU A 8 -4.679 7.767 5.201 1.00 45.34 C ATOM 145 CD2 LEU A 8 -6.401 5.975 4.645 1.00 51.01 C ATOM 0 H LEU A 8 -1.855 6.173 5.786 1.00 23.44 H new ATOM 0 HA LEU A 8 -3.868 6.285 7.949 1.00 23.30 H new ATOM 0 HB2 LEU A 8 -3.773 5.100 5.166 1.00 0.04 H new ATOM 0 HB3 LEU A 8 -4.899 4.464 6.349 1.00 0.04 H new ATOM 0 HG LEU A 8 -5.911 6.733 6.598 1.00 12.33 H new ATOM 0 HD11 LEU A 8 -5.432 8.515 4.954 1.00 45.34 H new ATOM 0 HD12 LEU A 8 -4.032 8.151 5.990 1.00 45.34 H new ATOM 0 HD13 LEU A 8 -4.081 7.548 4.316 1.00 45.34 H new ATOM 0 HD21 LEU A 8 -7.100 6.776 4.406 1.00 51.01 H new ATOM 0 HD22 LEU A 8 -5.880 5.665 3.739 1.00 51.01 H new ATOM 0 HD23 LEU A 8 -6.948 5.127 5.057 1.00 51.01 H new ATOM 157 N GLU A 9 -3.046 4.283 9.186 1.00 53.53 N ATOM 158 CA GLU A 9 -2.479 3.208 10.041 1.00 42.44 C ATOM 159 C GLU A 9 -3.547 2.150 10.415 1.00 51.34 C ATOM 160 O GLU A 9 -4.550 2.470 11.043 1.00 63.41 O ATOM 161 CB GLU A 9 -1.880 3.845 11.324 1.00 22.15 C ATOM 162 CG GLU A 9 -1.140 2.862 12.243 1.00 44.04 C ATOM 163 CD GLU A 9 -0.577 3.523 13.513 1.00 14.15 C ATOM 164 OE1 GLU A 9 0.566 4.029 13.484 1.00 71.24 O ATOM 165 OE2 GLU A 9 -1.287 3.545 14.546 1.00 41.32 O ATOM 0 H GLU A 9 -3.650 4.928 9.696 1.00 53.53 H new ATOM 0 HA GLU A 9 -1.698 2.694 9.480 1.00 42.44 H new ATOM 0 HB2 GLU A 9 -1.191 4.637 11.032 1.00 22.15 H new ATOM 0 HB3 GLU A 9 -2.685 4.315 11.890 1.00 22.15 H new ATOM 0 HG2 GLU A 9 -1.821 2.061 12.530 1.00 44.04 H new ATOM 0 HG3 GLU A 9 -0.322 2.402 11.688 1.00 44.04 H new ATOM 172 N TYR A 10 -3.285 0.879 10.065 1.00 43.02 N ATOM 173 CA TYR A 10 -4.242 -0.245 10.237 1.00 62.34 C ATOM 174 C TYR A 10 -3.678 -1.301 11.215 1.00 44.54 C ATOM 175 O TYR A 10 -2.468 -1.501 11.280 1.00 23.23 O ATOM 176 CB TYR A 10 -4.520 -0.917 8.861 1.00 52.45 C ATOM 177 CG TYR A 10 -4.874 0.065 7.727 1.00 62.13 C ATOM 178 CD1 TYR A 10 -6.141 0.654 7.645 1.00 75.43 C ATOM 179 CD2 TYR A 10 -3.943 0.398 6.735 1.00 33.13 C ATOM 180 CE1 TYR A 10 -6.460 1.530 6.621 1.00 23.33 C ATOM 181 CE2 TYR A 10 -4.263 1.274 5.713 1.00 20.51 C ATOM 182 CZ TYR A 10 -5.523 1.834 5.662 1.00 11.11 C ATOM 183 OH TYR A 10 -5.848 2.698 4.640 1.00 71.24 O ATOM 0 H TYR A 10 -2.398 0.593 9.651 1.00 43.02 H new ATOM 0 HA TYR A 10 -5.169 0.155 10.647 1.00 62.34 H new ATOM 0 HB2 TYR A 10 -3.640 -1.489 8.567 1.00 52.45 H new ATOM 0 HB3 TYR A 10 -5.338 -1.628 8.977 1.00 52.45 H new ATOM 0 HD1 TYR A 10 -6.883 0.421 8.394 1.00 75.43 H new ATOM 0 HD2 TYR A 10 -2.955 -0.038 6.769 1.00 33.13 H new ATOM 0 HE1 TYR A 10 -7.444 1.974 6.576 1.00 23.33 H new ATOM 0 HE2 TYR A 10 -3.530 1.518 4.959 1.00 20.51 H new ATOM 0 HH TYR A 10 -5.076 2.809 4.047 1.00 71.24 H new ATOM 193 N LEU A 11 -4.562 -1.970 11.978 1.00 42.21 N ATOM 194 CA LEU A 11 -4.187 -3.151 12.791 1.00 62.32 C ATOM 195 C LEU A 11 -4.552 -4.432 12.005 1.00 4.14 C ATOM 196 O LEU A 11 -5.730 -4.781 11.897 1.00 64.53 O ATOM 197 CB LEU A 11 -4.895 -3.143 14.186 1.00 53.02 C ATOM 198 CG LEU A 11 -4.473 -2.017 15.197 1.00 42.42 C ATOM 199 CD1 LEU A 11 -5.004 -0.621 14.783 1.00 44.43 C ATOM 200 CD2 LEU A 11 -4.908 -2.378 16.642 1.00 54.01 C ATOM 0 H LEU A 11 -5.547 -1.714 12.051 1.00 42.21 H new ATOM 0 HA LEU A 11 -3.114 -3.121 12.979 1.00 62.32 H new ATOM 0 HB2 LEU A 11 -5.969 -3.063 14.020 1.00 53.02 H new ATOM 0 HB3 LEU A 11 -4.717 -4.108 14.661 1.00 53.02 H new ATOM 0 HG LEU A 11 -3.385 -1.958 15.172 1.00 42.42 H new ATOM 0 HD11 LEU A 11 -4.685 0.121 15.515 1.00 44.43 H new ATOM 0 HD12 LEU A 11 -4.608 -0.357 13.802 1.00 44.43 H new ATOM 0 HD13 LEU A 11 -6.093 -0.644 14.741 1.00 44.43 H new ATOM 0 HD21 LEU A 11 -4.604 -1.583 17.323 1.00 54.01 H new ATOM 0 HD22 LEU A 11 -5.991 -2.492 16.678 1.00 54.01 H new ATOM 0 HD23 LEU A 11 -4.434 -3.313 16.942 1.00 54.01 H new ATOM 212 N LEU A 12 -3.542 -5.117 11.426 1.00 14.10 N ATOM 213 CA LEU A 12 -3.778 -6.331 10.599 1.00 65.12 C ATOM 214 C LEU A 12 -3.075 -7.565 11.225 1.00 12.33 C ATOM 215 O LEU A 12 -1.865 -7.562 11.454 1.00 64.13 O ATOM 216 CB LEU A 12 -3.325 -6.094 9.109 1.00 61.51 C ATOM 217 CG LEU A 12 -4.246 -6.711 7.987 1.00 22.30 C ATOM 218 CD1 LEU A 12 -4.356 -8.252 8.082 1.00 41.34 C ATOM 219 CD2 LEU A 12 -5.647 -6.052 7.996 1.00 64.43 C ATOM 0 H LEU A 12 -2.560 -4.856 11.512 1.00 14.10 H new ATOM 0 HA LEU A 12 -4.849 -6.535 10.583 1.00 65.12 H new ATOM 0 HB2 LEU A 12 -3.255 -5.019 8.940 1.00 61.51 H new ATOM 0 HB3 LEU A 12 -2.321 -6.501 8.989 1.00 61.51 H new ATOM 0 HG LEU A 12 -3.766 -6.492 7.033 1.00 22.30 H new ATOM 0 HD11 LEU A 12 -5.002 -8.620 7.285 1.00 41.34 H new ATOM 0 HD12 LEU A 12 -3.365 -8.694 7.980 1.00 41.34 H new ATOM 0 HD13 LEU A 12 -4.779 -8.528 9.048 1.00 41.34 H new ATOM 0 HD21 LEU A 12 -6.263 -6.495 7.213 1.00 64.43 H new ATOM 0 HD22 LEU A 12 -6.119 -6.215 8.965 1.00 64.43 H new ATOM 0 HD23 LEU A 12 -5.547 -4.982 7.816 1.00 64.43 H new ATOM 231 N ASN A 13 -3.876 -8.611 11.486 1.00 34.41 N ATOM 232 CA ASN A 13 -3.410 -9.899 12.040 1.00 23.14 C ATOM 233 C ASN A 13 -4.475 -10.984 11.786 1.00 42.42 C ATOM 234 O ASN A 13 -5.647 -10.761 12.065 1.00 14.41 O ATOM 235 CB ASN A 13 -3.137 -9.773 13.567 1.00 34.44 C ATOM 236 CG ASN A 13 -2.589 -11.057 14.198 1.00 61.51 C ATOM 237 OD1 ASN A 13 -1.840 -11.803 13.576 1.00 23.12 O ATOM 238 ND2 ASN A 13 -2.975 -11.337 15.426 1.00 11.20 N ATOM 0 H ASN A 13 -4.882 -8.588 11.316 1.00 34.41 H new ATOM 0 HA ASN A 13 -2.479 -10.178 11.546 1.00 23.14 H new ATOM 0 HB2 ASN A 13 -2.427 -8.963 13.735 1.00 34.44 H new ATOM 0 HB3 ASN A 13 -4.062 -9.496 14.072 1.00 34.44 H new ATOM 0 HD21 ASN A 13 -2.650 -12.190 15.881 1.00 11.20 H new ATOM 0 HD22 ASN A 13 -3.598 -10.700 15.922 1.00 11.20 H new ATOM 280 N LYS A 17 1.732 -12.731 7.705 1.00 21.50 N ATOM 281 CA LYS A 17 2.798 -11.820 8.183 1.00 74.55 C ATOM 282 C LYS A 17 2.997 -10.635 7.198 1.00 14.02 C ATOM 283 O LYS A 17 2.048 -10.203 6.546 1.00 44.54 O ATOM 284 CB LYS A 17 4.100 -12.651 8.348 1.00 51.11 C ATOM 285 CG LYS A 17 3.989 -13.787 9.379 1.00 14.31 C ATOM 286 CD LYS A 17 5.256 -14.667 9.421 1.00 22.10 C ATOM 287 CE LYS A 17 5.124 -15.849 10.403 1.00 74.04 C ATOM 288 NZ LYS A 17 6.318 -16.733 10.369 1.00 22.12 N ATOM 0 HA LYS A 17 2.520 -11.383 9.142 1.00 74.55 H new ATOM 0 HB2 LYS A 17 4.373 -13.076 7.382 1.00 51.11 H new ATOM 0 HB3 LYS A 17 4.910 -11.984 8.643 1.00 51.11 H new ATOM 0 HG2 LYS A 17 3.812 -13.362 10.367 1.00 14.31 H new ATOM 0 HG3 LYS A 17 3.126 -14.408 9.140 1.00 14.31 H new ATOM 0 HD2 LYS A 17 5.461 -15.051 8.422 1.00 22.10 H new ATOM 0 HD3 LYS A 17 6.110 -14.054 9.708 1.00 22.10 H new ATOM 0 HE2 LYS A 17 4.984 -15.467 11.414 1.00 74.04 H new ATOM 0 HE3 LYS A 17 4.235 -16.429 10.155 1.00 74.04 H new ATOM 0 HZ1 LYS A 17 6.190 -17.515 11.043 1.00 22.12 H new ATOM 0 HZ2 LYS A 17 6.438 -17.118 9.410 1.00 22.12 H new ATOM 0 HZ3 LYS A 17 7.163 -16.186 10.630 1.00 22.12 H new ATOM 302 N ASN A 18 4.240 -10.102 7.114 1.00 62.23 N ATOM 303 CA ASN A 18 4.625 -9.001 6.183 1.00 3.30 C ATOM 304 C ASN A 18 4.177 -9.223 4.696 1.00 42.22 C ATOM 305 O ASN A 18 3.987 -8.256 3.954 1.00 60.22 O ATOM 306 CB ASN A 18 6.160 -8.739 6.286 1.00 52.43 C ATOM 307 CG ASN A 18 7.042 -9.970 6.022 1.00 33.31 C ATOM 308 OD1 ASN A 18 6.719 -10.826 5.218 1.00 51.15 O ATOM 309 ND2 ASN A 18 8.165 -10.070 6.704 1.00 22.14 N ATOM 0 H ASN A 18 5.015 -10.424 7.694 1.00 62.23 H new ATOM 0 HA ASN A 18 4.077 -8.115 6.504 1.00 3.30 H new ATOM 0 HB2 ASN A 18 6.430 -7.957 5.576 1.00 52.43 H new ATOM 0 HB3 ASN A 18 6.383 -8.356 7.282 1.00 52.43 H new ATOM 0 HD21 ASN A 18 8.778 -10.873 6.562 1.00 22.14 H new ATOM 0 HD22 ASN A 18 8.421 -9.345 7.374 1.00 22.14 H new ATOM 316 N ILE A 19 4.022 -10.509 4.296 1.00 20.11 N ATOM 317 CA ILE A 19 3.624 -10.942 2.920 1.00 72.43 C ATOM 318 C ILE A 19 2.344 -10.213 2.392 1.00 40.31 C ATOM 319 O ILE A 19 2.183 -10.058 1.169 1.00 23.22 O ATOM 320 CB ILE A 19 3.436 -12.522 2.830 1.00 0.33 C ATOM 321 CG1 ILE A 19 4.762 -13.309 3.177 1.00 64.35 C ATOM 322 CG2 ILE A 19 2.908 -12.978 1.441 1.00 23.33 C ATOM 323 CD1 ILE A 19 5.051 -13.513 4.654 1.00 1.14 C ATOM 0 H ILE A 19 4.172 -11.295 4.928 1.00 20.11 H new ATOM 0 HA ILE A 19 4.450 -10.651 2.272 1.00 72.43 H new ATOM 0 HB ILE A 19 2.685 -12.765 3.581 1.00 0.33 H new ATOM 0 HG12 ILE A 19 4.716 -14.287 2.698 1.00 64.35 H new ATOM 0 HG13 ILE A 19 5.603 -12.776 2.733 1.00 64.35 H new ATOM 0 HG21 ILE A 19 2.797 -14.062 1.432 1.00 23.33 H new ATOM 0 HG22 ILE A 19 1.941 -12.513 1.249 1.00 23.33 H new ATOM 0 HG23 ILE A 19 3.615 -12.679 0.667 1.00 23.33 H new ATOM 0 HD11 ILE A 19 5.984 -14.064 4.769 1.00 1.14 H new ATOM 0 HD12 ILE A 19 5.139 -12.544 5.145 1.00 1.14 H new ATOM 0 HD13 ILE A 19 4.238 -14.078 5.109 1.00 1.14 H new ATOM 335 N LEU A 20 1.491 -9.719 3.332 1.00 75.13 N ATOM 336 CA LEU A 20 0.250 -8.945 3.033 1.00 70.41 C ATOM 337 C LEU A 20 0.473 -7.902 1.907 1.00 44.21 C ATOM 338 O LEU A 20 -0.137 -7.990 0.837 1.00 23.31 O ATOM 339 CB LEU A 20 -0.230 -8.218 4.331 1.00 75.22 C ATOM 340 CG LEU A 20 -0.753 -9.133 5.486 1.00 33.30 C ATOM 341 CD1 LEU A 20 -0.793 -8.368 6.832 1.00 12.21 C ATOM 342 CD2 LEU A 20 -2.139 -9.737 5.135 1.00 50.10 C ATOM 0 H LEU A 20 1.647 -9.848 4.332 1.00 75.13 H new ATOM 0 HA LEU A 20 -0.508 -9.648 2.687 1.00 70.41 H new ATOM 0 HB2 LEU A 20 0.598 -7.622 4.715 1.00 75.22 H new ATOM 0 HB3 LEU A 20 -1.024 -7.523 4.060 1.00 75.22 H new ATOM 0 HG LEU A 20 -0.053 -9.960 5.601 1.00 33.30 H new ATOM 0 HD11 LEU A 20 -1.161 -9.030 7.616 1.00 12.21 H new ATOM 0 HD12 LEU A 20 0.210 -8.027 7.086 1.00 12.21 H new ATOM 0 HD13 LEU A 20 -1.457 -7.508 6.742 1.00 12.21 H new ATOM 0 HD21 LEU A 20 -2.479 -10.369 5.956 1.00 50.10 H new ATOM 0 HD22 LEU A 20 -2.857 -8.932 4.975 1.00 50.10 H new ATOM 0 HD23 LEU A 20 -2.056 -10.335 4.227 1.00 50.10 H new ATOM 354 N TRP A 21 1.354 -6.922 2.165 1.00 64.21 N ATOM 355 CA TRP A 21 1.776 -5.928 1.159 1.00 71.41 C ATOM 356 C TRP A 21 3.161 -6.224 0.555 1.00 30.11 C ATOM 357 O TRP A 21 3.496 -5.627 -0.452 1.00 25.13 O ATOM 358 CB TRP A 21 1.712 -4.497 1.737 1.00 12.40 C ATOM 359 CG TRP A 21 0.302 -3.945 1.831 1.00 3.14 C ATOM 360 CD1 TRP A 21 -0.628 -4.186 2.803 1.00 4.05 C ATOM 361 CD2 TRP A 21 -0.324 -3.054 0.895 1.00 32.51 C ATOM 362 NE1 TRP A 21 -1.778 -3.483 2.538 1.00 70.23 N ATOM 363 CE2 TRP A 21 -1.618 -2.788 1.369 1.00 3.33 C ATOM 364 CE3 TRP A 21 0.097 -2.453 -0.298 1.00 61.40 C ATOM 365 CZ2 TRP A 21 -2.500 -1.948 0.693 1.00 24.22 C ATOM 366 CZ3 TRP A 21 -0.776 -1.621 -0.970 1.00 11.33 C ATOM 367 CH2 TRP A 21 -2.061 -1.372 -0.473 1.00 52.22 C ATOM 0 H TRP A 21 1.795 -6.795 3.076 1.00 64.21 H new ATOM 0 HA TRP A 21 1.066 -6.003 0.335 1.00 71.41 H new ATOM 0 HB2 TRP A 21 2.162 -4.494 2.730 1.00 12.40 H new ATOM 0 HB3 TRP A 21 2.312 -3.835 1.113 1.00 12.40 H new ATOM 0 HD1 TRP A 21 -0.480 -4.834 3.654 1.00 4.05 H new ATOM 0 HE1 TRP A 21 -2.617 -3.479 3.119 1.00 70.23 H new ATOM 0 HE3 TRP A 21 1.088 -2.637 -0.686 1.00 61.40 H new ATOM 0 HZ2 TRP A 21 -3.493 -1.757 1.072 1.00 24.22 H new ATOM 0 HZ3 TRP A 21 -0.463 -1.155 -1.893 1.00 11.33 H new ATOM 0 HH2 TRP A 21 -2.720 -0.713 -1.018 1.00 52.22 H new ATOM 378 N SER A 22 3.979 -7.124 1.159 1.00 13.01 N ATOM 379 CA SER A 22 5.326 -7.486 0.578 1.00 30.11 C ATOM 380 C SER A 22 5.176 -8.097 -0.838 1.00 72.35 C ATOM 381 O SER A 22 6.118 -8.105 -1.634 1.00 44.31 O ATOM 382 CB SER A 22 6.124 -8.475 1.487 1.00 1.45 C ATOM 383 OG SER A 22 5.914 -9.832 1.124 1.00 40.44 O ATOM 0 H SER A 22 3.750 -7.609 2.027 1.00 13.01 H new ATOM 0 HA SER A 22 5.890 -6.555 0.516 1.00 30.11 H new ATOM 0 HB2 SER A 22 7.188 -8.245 1.424 1.00 1.45 H new ATOM 0 HB3 SER A 22 5.828 -8.329 2.526 1.00 1.45 H new ATOM 0 HG SER A 22 6.433 -10.414 1.718 1.00 40.44 H new ATOM 389 N ALA A 23 3.960 -8.605 -1.114 1.00 20.21 N ATOM 390 CA ALA A 23 3.559 -9.189 -2.406 1.00 4.14 C ATOM 391 C ALA A 23 3.795 -8.232 -3.608 1.00 42.43 C ATOM 392 O ALA A 23 4.082 -8.694 -4.713 1.00 54.22 O ATOM 393 CB ALA A 23 2.079 -9.588 -2.317 1.00 41.31 C ATOM 0 H ALA A 23 3.209 -8.620 -0.424 1.00 20.21 H new ATOM 0 HA ALA A 23 4.185 -10.061 -2.593 1.00 4.14 H new ATOM 0 HB1 ALA A 23 1.762 -10.023 -3.265 1.00 41.31 H new ATOM 0 HB2 ALA A 23 1.947 -10.319 -1.520 1.00 41.31 H new ATOM 0 HB3 ALA A 23 1.476 -8.705 -2.103 1.00 41.31 H new ATOM 399 N ILE A 24 3.696 -6.900 -3.370 1.00 14.03 N ATOM 400 CA ILE A 24 3.895 -5.868 -4.430 1.00 14.40 C ATOM 401 C ILE A 24 5.373 -5.784 -4.900 1.00 72.03 C ATOM 402 O ILE A 24 5.655 -5.300 -5.996 1.00 42.30 O ATOM 403 CB ILE A 24 3.365 -4.444 -3.986 1.00 13.21 C ATOM 404 CG1 ILE A 24 4.211 -3.868 -2.805 1.00 3.12 C ATOM 405 CG2 ILE A 24 1.857 -4.514 -3.628 1.00 54.34 C ATOM 406 CD1 ILE A 24 3.638 -2.637 -2.118 1.00 73.42 C ATOM 0 H ILE A 24 3.479 -6.510 -2.453 1.00 14.03 H new ATOM 0 HA ILE A 24 3.297 -6.193 -5.281 1.00 14.40 H new ATOM 0 HB ILE A 24 3.479 -3.759 -4.826 1.00 13.21 H new ATOM 0 HG12 ILE A 24 4.338 -4.652 -2.058 1.00 3.12 H new ATOM 0 HG13 ILE A 24 5.204 -3.622 -3.181 1.00 3.12 H new ATOM 0 HG21 ILE A 24 1.509 -3.527 -3.325 1.00 54.34 H new ATOM 0 HG22 ILE A 24 1.291 -4.847 -4.498 1.00 54.34 H new ATOM 0 HG23 ILE A 24 1.710 -5.218 -2.809 1.00 54.34 H new ATOM 0 HD11 ILE A 24 4.306 -2.324 -1.316 1.00 73.42 H new ATOM 0 HD12 ILE A 24 3.538 -1.829 -2.843 1.00 73.42 H new ATOM 0 HD13 ILE A 24 2.659 -2.875 -1.703 1.00 73.42 H new ATOM 418 N SER A 25 6.296 -6.286 -4.068 1.00 53.23 N ATOM 419 CA SER A 25 7.742 -6.365 -4.401 1.00 14.20 C ATOM 420 C SER A 25 8.056 -7.504 -5.406 1.00 52.54 C ATOM 421 O SER A 25 9.107 -7.491 -6.065 1.00 15.33 O ATOM 422 CB SER A 25 8.552 -6.572 -3.104 1.00 1.50 C ATOM 423 OG SER A 25 9.951 -6.613 -3.336 1.00 4.32 O ATOM 0 H SER A 25 6.070 -6.651 -3.143 1.00 53.23 H new ATOM 0 HA SER A 25 8.025 -5.428 -4.880 1.00 14.20 H new ATOM 0 HB2 SER A 25 8.326 -5.765 -2.406 1.00 1.50 H new ATOM 0 HB3 SER A 25 8.239 -7.502 -2.629 1.00 1.50 H new ATOM 0 HG SER A 25 10.420 -6.744 -2.486 1.00 4.32 H new ATOM 429 N THR A 26 7.145 -8.497 -5.506 1.00 14.34 N ATOM 430 CA THR A 26 7.337 -9.695 -6.364 1.00 3.34 C ATOM 431 C THR A 26 6.228 -9.837 -7.437 1.00 74.12 C ATOM 432 O THR A 26 5.073 -9.515 -7.172 1.00 30.45 O ATOM 433 CB THR A 26 7.388 -11.018 -5.520 1.00 73.10 C ATOM 434 OG1 THR A 26 6.225 -11.138 -4.675 1.00 42.03 O ATOM 435 CG2 THR A 26 8.668 -11.101 -4.672 1.00 22.42 C ATOM 0 H THR A 26 6.260 -8.495 -4.999 1.00 14.34 H new ATOM 0 HA THR A 26 8.295 -9.544 -6.862 1.00 3.34 H new ATOM 0 HB THR A 26 7.395 -11.848 -6.226 1.00 73.10 H new ATOM 0 HG1 THR A 26 5.610 -10.398 -4.858 1.00 42.03 H new ATOM 0 HG21 THR A 26 8.667 -12.030 -4.102 1.00 22.42 H new ATOM 0 HG22 THR A 26 9.540 -11.077 -5.326 1.00 22.42 H new ATOM 0 HG23 THR A 26 8.706 -10.255 -3.986 1.00 22.42 H new ATOM 443 N PRO A 27 6.582 -10.343 -8.669 1.00 24.24 N ATOM 444 CA PRO A 27 5.610 -10.628 -9.767 1.00 13.42 C ATOM 445 C PRO A 27 4.433 -11.555 -9.331 1.00 15.51 C ATOM 446 O PRO A 27 3.267 -11.137 -9.338 1.00 54.51 O ATOM 447 CB PRO A 27 6.503 -11.303 -10.863 1.00 60.43 C ATOM 448 CG PRO A 27 7.757 -11.702 -10.147 1.00 52.45 C ATOM 449 CD PRO A 27 7.966 -10.634 -9.115 1.00 51.32 C ATOM 0 HA PRO A 27 5.105 -9.724 -10.108 1.00 13.42 H new ATOM 0 HB2 PRO A 27 6.005 -12.169 -11.300 1.00 60.43 H new ATOM 0 HB3 PRO A 27 6.717 -10.612 -11.679 1.00 60.43 H new ATOM 0 HG2 PRO A 27 7.653 -12.684 -9.685 1.00 52.45 H new ATOM 0 HG3 PRO A 27 8.602 -11.760 -10.833 1.00 52.45 H new ATOM 0 HD2 PRO A 27 8.593 -10.981 -8.293 1.00 51.32 H new ATOM 0 HD3 PRO A 27 8.451 -9.753 -9.535 1.00 51.32 H new ATOM 457 N THR A 28 4.777 -12.804 -8.930 1.00 33.35 N ATOM 458 CA THR A 28 3.813 -13.840 -8.461 1.00 33.15 C ATOM 459 C THR A 28 2.865 -13.346 -7.338 1.00 14.23 C ATOM 460 O THR A 28 1.662 -13.640 -7.358 1.00 4.14 O ATOM 461 CB THR A 28 4.576 -15.133 -7.983 1.00 24.44 C ATOM 462 OG1 THR A 28 3.655 -16.110 -7.459 1.00 2.24 O ATOM 463 CG2 THR A 28 5.658 -14.826 -6.918 1.00 43.12 C ATOM 0 H THR A 28 5.744 -13.128 -8.922 1.00 33.35 H new ATOM 0 HA THR A 28 3.186 -14.073 -9.322 1.00 33.15 H new ATOM 0 HB THR A 28 5.076 -15.535 -8.864 1.00 24.44 H new ATOM 0 HG1 THR A 28 4.150 -16.905 -7.170 1.00 2.24 H new ATOM 0 HG21 THR A 28 6.152 -15.752 -6.624 1.00 43.12 H new ATOM 0 HG22 THR A 28 6.394 -14.138 -7.335 1.00 43.12 H new ATOM 0 HG23 THR A 28 5.190 -14.372 -6.045 1.00 43.12 H new ATOM 471 N GLY A 29 3.413 -12.575 -6.383 1.00 35.45 N ATOM 472 CA GLY A 29 2.624 -12.040 -5.266 1.00 21.02 C ATOM 473 C GLY A 29 1.648 -10.934 -5.684 1.00 42.43 C ATOM 474 O GLY A 29 0.523 -10.877 -5.193 1.00 61.55 O ATOM 0 H GLY A 29 4.398 -12.310 -6.364 1.00 35.45 H new ATOM 0 HA2 GLY A 29 2.064 -12.853 -4.804 1.00 21.02 H new ATOM 0 HA3 GLY A 29 3.301 -11.649 -4.507 1.00 21.02 H new ATOM 478 N LEU A 30 2.090 -10.072 -6.610 1.00 64.13 N ATOM 479 CA LEU A 30 1.338 -8.869 -7.040 1.00 0.54 C ATOM 480 C LEU A 30 0.094 -9.250 -7.891 1.00 32.55 C ATOM 481 O LEU A 30 -0.998 -8.689 -7.708 1.00 65.32 O ATOM 482 CB LEU A 30 2.298 -7.912 -7.821 1.00 45.52 C ATOM 483 CG LEU A 30 2.147 -6.380 -7.551 1.00 54.45 C ATOM 484 CD1 LEU A 30 3.283 -5.582 -8.208 1.00 4.31 C ATOM 485 CD2 LEU A 30 0.787 -5.840 -7.992 1.00 61.42 C ATOM 0 H LEU A 30 2.984 -10.184 -7.089 1.00 64.13 H new ATOM 0 HA LEU A 30 0.964 -8.350 -6.157 1.00 0.54 H new ATOM 0 HB2 LEU A 30 3.324 -8.197 -7.588 1.00 45.52 H new ATOM 0 HB3 LEU A 30 2.154 -8.084 -8.888 1.00 45.52 H new ATOM 0 HG LEU A 30 2.212 -6.250 -6.471 1.00 54.45 H new ATOM 0 HD11 LEU A 30 3.149 -4.520 -8.001 1.00 4.31 H new ATOM 0 HD12 LEU A 30 4.240 -5.912 -7.804 1.00 4.31 H new ATOM 0 HD13 LEU A 30 3.268 -5.747 -9.285 1.00 4.31 H new ATOM 0 HD21 LEU A 30 0.734 -4.772 -7.782 1.00 61.42 H new ATOM 0 HD22 LEU A 30 0.659 -6.006 -9.062 1.00 61.42 H new ATOM 0 HD23 LEU A 30 -0.003 -6.356 -7.447 1.00 61.42 H new ATOM 497 N GLU A 31 0.260 -10.222 -8.809 1.00 3.22 N ATOM 498 CA GLU A 31 -0.837 -10.670 -9.710 1.00 1.51 C ATOM 499 C GLU A 31 -1.916 -11.525 -8.992 1.00 52.34 C ATOM 500 O GLU A 31 -2.874 -11.984 -9.624 1.00 15.41 O ATOM 501 CB GLU A 31 -0.260 -11.443 -10.918 1.00 22.41 C ATOM 502 CG GLU A 31 0.541 -12.712 -10.575 1.00 12.04 C ATOM 503 CD GLU A 31 0.991 -13.478 -11.832 1.00 20.32 C ATOM 504 OE1 GLU A 31 2.061 -13.150 -12.395 1.00 21.51 O ATOM 505 OE2 GLU A 31 0.261 -14.393 -12.275 1.00 40.02 O ATOM 0 H GLU A 31 1.141 -10.716 -8.952 1.00 3.22 H new ATOM 0 HA GLU A 31 -1.338 -9.766 -10.055 1.00 1.51 H new ATOM 0 HB2 GLU A 31 -1.084 -11.722 -11.575 1.00 22.41 H new ATOM 0 HB3 GLU A 31 0.385 -10.770 -11.483 1.00 22.41 H new ATOM 0 HG2 GLU A 31 1.417 -12.438 -9.987 1.00 12.04 H new ATOM 0 HG3 GLU A 31 -0.069 -13.367 -9.953 1.00 12.04 H new ATOM 512 N ASP A 32 -1.751 -11.748 -7.681 1.00 61.12 N ATOM 513 CA ASP A 32 -2.769 -12.410 -6.849 1.00 15.13 C ATOM 514 C ASP A 32 -3.963 -11.455 -6.537 1.00 0.13 C ATOM 515 O ASP A 32 -5.094 -11.913 -6.344 1.00 41.33 O ATOM 516 CB ASP A 32 -2.116 -12.916 -5.534 1.00 3.24 C ATOM 517 CG ASP A 32 -3.117 -13.621 -4.595 1.00 52.43 C ATOM 518 OD1 ASP A 32 -3.502 -14.777 -4.884 1.00 73.02 O ATOM 519 OD2 ASP A 32 -3.545 -13.009 -3.589 1.00 61.51 O ATOM 0 H ASP A 32 -0.912 -11.476 -7.168 1.00 61.12 H new ATOM 0 HA ASP A 32 -3.169 -13.258 -7.404 1.00 15.13 H new ATOM 0 HB2 ASP A 32 -1.308 -13.606 -5.778 1.00 3.24 H new ATOM 0 HB3 ASP A 32 -1.667 -12.072 -5.010 1.00 3.24 H new ATOM 524 N TRP A 33 -3.705 -10.126 -6.509 1.00 41.55 N ATOM 525 CA TRP A 33 -4.667 -9.141 -5.946 1.00 15.34 C ATOM 526 C TRP A 33 -4.623 -7.746 -6.632 1.00 42.25 C ATOM 527 O TRP A 33 -5.119 -6.760 -6.063 1.00 4.51 O ATOM 528 CB TRP A 33 -4.420 -9.017 -4.407 1.00 73.41 C ATOM 529 CG TRP A 33 -3.028 -8.546 -4.001 1.00 52.13 C ATOM 530 CD1 TRP A 33 -1.827 -9.040 -4.432 1.00 51.41 C ATOM 531 CD2 TRP A 33 -2.707 -7.524 -3.047 1.00 13.43 C ATOM 532 NE1 TRP A 33 -0.795 -8.376 -3.837 1.00 14.41 N ATOM 533 CE2 TRP A 33 -1.304 -7.446 -2.975 1.00 25.43 C ATOM 534 CE3 TRP A 33 -3.472 -6.664 -2.255 1.00 2.13 C ATOM 535 CZ2 TRP A 33 -0.651 -6.543 -2.144 1.00 62.44 C ATOM 536 CZ3 TRP A 33 -2.822 -5.770 -1.425 1.00 53.24 C ATOM 537 CH2 TRP A 33 -1.423 -5.715 -1.377 1.00 32.34 C ATOM 0 H TRP A 33 -2.845 -9.710 -6.867 1.00 41.55 H new ATOM 0 HA TRP A 33 -5.670 -9.519 -6.144 1.00 15.34 H new ATOM 0 HB2 TRP A 33 -5.154 -8.325 -3.994 1.00 73.41 H new ATOM 0 HB3 TRP A 33 -4.604 -9.988 -3.948 1.00 73.41 H new ATOM 0 HD1 TRP A 33 -1.712 -9.844 -5.144 1.00 51.41 H new ATOM 0 HE1 TRP A 33 0.196 -8.546 -4.008 1.00 14.41 H new ATOM 0 HE3 TRP A 33 -4.551 -6.697 -2.291 1.00 2.13 H new ATOM 0 HZ2 TRP A 33 0.427 -6.497 -2.106 1.00 62.44 H new ATOM 0 HZ3 TRP A 33 -3.402 -5.103 -0.804 1.00 53.24 H new ATOM 0 HH2 TRP A 33 -0.944 -5.004 -0.720 1.00 32.34 H new ATOM 548 N PHE A 34 -4.094 -7.659 -7.871 1.00 4.25 N ATOM 549 CA PHE A 34 -4.038 -6.370 -8.618 1.00 32.12 C ATOM 550 C PHE A 34 -4.330 -6.570 -10.129 1.00 3.24 C ATOM 551 O PHE A 34 -5.400 -6.184 -10.617 1.00 30.43 O ATOM 552 CB PHE A 34 -2.667 -5.686 -8.389 1.00 60.15 C ATOM 553 CG PHE A 34 -2.537 -4.263 -8.956 1.00 13.34 C ATOM 554 CD1 PHE A 34 -3.184 -3.186 -8.344 1.00 1.02 C ATOM 555 CD2 PHE A 34 -1.759 -4.001 -10.086 1.00 15.23 C ATOM 556 CE1 PHE A 34 -3.060 -1.902 -8.848 1.00 52.32 C ATOM 557 CE2 PHE A 34 -1.636 -2.716 -10.585 1.00 31.21 C ATOM 558 CZ PHE A 34 -2.284 -1.668 -9.968 1.00 21.13 C ATOM 0 H PHE A 34 -3.702 -8.453 -8.377 1.00 4.25 H new ATOM 0 HA PHE A 34 -4.820 -5.715 -8.233 1.00 32.12 H new ATOM 0 HB2 PHE A 34 -2.472 -5.651 -7.317 1.00 60.15 H new ATOM 0 HB3 PHE A 34 -1.891 -6.308 -8.834 1.00 60.15 H new ATOM 0 HD1 PHE A 34 -3.789 -3.357 -7.466 1.00 1.02 H new ATOM 0 HD2 PHE A 34 -1.245 -4.814 -10.578 1.00 15.23 H new ATOM 0 HE1 PHE A 34 -3.571 -1.082 -8.365 1.00 52.32 H new ATOM 0 HE2 PHE A 34 -1.030 -2.534 -11.461 1.00 31.21 H new ATOM 0 HZ PHE A 34 -2.186 -0.666 -10.359 1.00 21.13 H new ATOM 568 N ALA A 35 -3.362 -7.156 -10.859 1.00 52.15 N ATOM 569 CA ALA A 35 -3.495 -7.458 -12.308 1.00 62.12 C ATOM 570 C ALA A 35 -3.702 -8.972 -12.535 1.00 20.45 C ATOM 571 O ALA A 35 -3.474 -9.770 -11.623 1.00 50.14 O ATOM 572 CB ALA A 35 -2.247 -6.954 -13.065 1.00 44.24 C ATOM 0 H ALA A 35 -2.463 -7.436 -10.466 1.00 52.15 H new ATOM 0 HA ALA A 35 -4.372 -6.941 -12.696 1.00 62.12 H new ATOM 0 HB1 ALA A 35 -2.350 -7.178 -14.127 1.00 44.24 H new ATOM 0 HB2 ALA A 35 -2.150 -5.877 -12.929 1.00 44.24 H new ATOM 0 HB3 ALA A 35 -1.359 -7.451 -12.674 1.00 44.24 H new ATOM 578 N ASP A 36 -4.154 -9.349 -13.749 1.00 12.11 N ATOM 579 CA ASP A 36 -4.255 -10.771 -14.185 1.00 12.13 C ATOM 580 C ASP A 36 -2.885 -11.473 -14.071 1.00 45.13 C ATOM 581 O ASP A 36 -2.750 -12.564 -13.499 1.00 12.33 O ATOM 582 CB ASP A 36 -4.733 -10.833 -15.656 1.00 54.24 C ATOM 583 CG ASP A 36 -6.163 -10.311 -15.855 1.00 71.42 C ATOM 584 OD1 ASP A 36 -6.400 -9.098 -15.663 1.00 11.35 O ATOM 585 OD2 ASP A 36 -7.066 -11.114 -16.190 1.00 73.21 O ATOM 0 H ASP A 36 -4.460 -8.683 -14.458 1.00 12.11 H new ATOM 0 HA ASP A 36 -4.971 -11.279 -13.539 1.00 12.13 H new ATOM 0 HB2 ASP A 36 -4.052 -10.250 -16.276 1.00 54.24 H new ATOM 0 HB3 ASP A 36 -4.679 -11.864 -16.005 1.00 54.24 H new ATOM 590 N LYS A 37 -1.883 -10.795 -14.630 1.00 43.33 N ATOM 591 CA LYS A 37 -0.488 -11.227 -14.627 1.00 15.42 C ATOM 592 C LYS A 37 0.419 -10.023 -14.322 1.00 12.33 C ATOM 593 O LYS A 37 0.129 -8.901 -14.728 1.00 61.43 O ATOM 594 CB LYS A 37 -0.126 -11.848 -15.994 1.00 4.43 C ATOM 595 CG LYS A 37 1.327 -12.341 -16.080 1.00 23.44 C ATOM 596 CD LYS A 37 1.666 -13.038 -17.411 1.00 63.13 C ATOM 597 CE LYS A 37 0.875 -14.339 -17.627 1.00 23.54 C ATOM 598 NZ LYS A 37 1.060 -15.304 -16.511 1.00 54.51 N ATOM 0 H LYS A 37 -2.024 -9.906 -15.110 1.00 43.33 H new ATOM 0 HA LYS A 37 -0.341 -11.984 -13.856 1.00 15.42 H new ATOM 0 HB2 LYS A 37 -0.797 -12.684 -16.193 1.00 4.43 H new ATOM 0 HB3 LYS A 37 -0.297 -11.109 -16.776 1.00 4.43 H new ATOM 0 HG2 LYS A 37 1.998 -11.493 -15.943 1.00 23.44 H new ATOM 0 HG3 LYS A 37 1.516 -13.033 -15.259 1.00 23.44 H new ATOM 0 HD2 LYS A 37 1.462 -12.354 -18.235 1.00 63.13 H new ATOM 0 HD3 LYS A 37 2.733 -13.259 -17.437 1.00 63.13 H new ATOM 0 HE2 LYS A 37 -0.185 -14.105 -17.730 1.00 23.54 H new ATOM 0 HE3 LYS A 37 1.191 -14.803 -18.561 1.00 23.54 H new ATOM 0 HZ1 LYS A 37 0.651 -16.223 -16.775 1.00 54.51 H new ATOM 0 HZ2 LYS A 37 2.075 -15.420 -16.317 1.00 54.51 H new ATOM 0 HZ3 LYS A 37 0.584 -14.945 -15.659 1.00 54.51 H new ATOM 612 N VAL A 38 1.499 -10.260 -13.575 1.00 3.44 N ATOM 613 CA VAL A 38 2.551 -9.262 -13.336 1.00 53.21 C ATOM 614 C VAL A 38 3.918 -9.889 -13.690 1.00 72.41 C ATOM 615 O VAL A 38 4.347 -10.851 -13.062 1.00 3.14 O ATOM 616 CB VAL A 38 2.536 -8.728 -11.850 1.00 33.44 C ATOM 617 CG1 VAL A 38 3.769 -7.846 -11.545 1.00 11.43 C ATOM 618 CG2 VAL A 38 1.225 -7.949 -11.545 1.00 54.51 C ATOM 0 H VAL A 38 1.672 -11.154 -13.115 1.00 3.44 H new ATOM 0 HA VAL A 38 2.366 -8.397 -13.973 1.00 53.21 H new ATOM 0 HB VAL A 38 2.579 -9.601 -11.198 1.00 33.44 H new ATOM 0 HG11 VAL A 38 3.721 -7.498 -10.513 1.00 11.43 H new ATOM 0 HG12 VAL A 38 4.678 -8.429 -11.690 1.00 11.43 H new ATOM 0 HG13 VAL A 38 3.778 -6.988 -12.217 1.00 11.43 H new ATOM 0 HG21 VAL A 38 1.244 -7.594 -10.515 1.00 54.51 H new ATOM 0 HG22 VAL A 38 1.142 -7.098 -12.221 1.00 54.51 H new ATOM 0 HG23 VAL A 38 0.369 -8.609 -11.686 1.00 54.51 H new ATOM 628 N VAL A 39 4.552 -9.376 -14.754 1.00 71.20 N ATOM 629 CA VAL A 39 5.910 -9.787 -15.167 1.00 2.30 C ATOM 630 C VAL A 39 6.949 -8.748 -14.679 1.00 71.04 C ATOM 631 O VAL A 39 6.845 -7.566 -15.002 1.00 71.25 O ATOM 632 CB VAL A 39 5.995 -9.940 -16.732 1.00 3.53 C ATOM 633 CG1 VAL A 39 7.404 -10.415 -17.181 1.00 24.10 C ATOM 634 CG2 VAL A 39 4.884 -10.890 -17.263 1.00 32.21 C ATOM 0 H VAL A 39 4.141 -8.663 -15.356 1.00 71.20 H new ATOM 0 HA VAL A 39 6.130 -10.754 -14.714 1.00 2.30 H new ATOM 0 HB VAL A 39 5.828 -8.955 -17.169 1.00 3.53 H new ATOM 0 HG11 VAL A 39 7.427 -10.510 -18.267 1.00 24.10 H new ATOM 0 HG12 VAL A 39 8.151 -9.687 -16.864 1.00 24.10 H new ATOM 0 HG13 VAL A 39 7.624 -11.381 -16.727 1.00 24.10 H new ATOM 0 HG21 VAL A 39 4.967 -10.977 -18.346 1.00 32.21 H new ATOM 0 HG22 VAL A 39 5.000 -11.875 -16.810 1.00 32.21 H new ATOM 0 HG23 VAL A 39 3.905 -10.485 -17.005 1.00 32.21 H new ATOM 644 N SER A 40 7.948 -9.197 -13.899 1.00 74.31 N ATOM 645 CA SER A 40 9.039 -8.319 -13.408 1.00 23.44 C ATOM 646 C SER A 40 10.185 -8.200 -14.442 1.00 42.11 C ATOM 647 O SER A 40 10.425 -9.104 -15.241 1.00 32.14 O ATOM 648 CB SER A 40 9.602 -8.845 -12.067 1.00 24.20 C ATOM 649 OG SER A 40 10.637 -8.008 -11.554 1.00 60.32 O ATOM 0 H SER A 40 8.027 -10.166 -13.591 1.00 74.31 H new ATOM 0 HA SER A 40 8.611 -7.328 -13.255 1.00 23.44 H new ATOM 0 HB2 SER A 40 8.795 -8.912 -11.337 1.00 24.20 H new ATOM 0 HB3 SER A 40 9.989 -9.854 -12.208 1.00 24.20 H new ATOM 0 HG SER A 40 10.964 -8.374 -10.706 1.00 60.32 H new ATOM 655 N ASP A 41 10.883 -7.062 -14.390 1.00 71.13 N ATOM 656 CA ASP A 41 12.087 -6.766 -15.200 1.00 45.11 C ATOM 657 C ASP A 41 13.285 -6.471 -14.242 1.00 53.53 C ATOM 658 O ASP A 41 14.310 -5.897 -14.646 1.00 45.34 O ATOM 659 CB ASP A 41 11.766 -5.552 -16.124 1.00 50.54 C ATOM 660 CG ASP A 41 12.873 -5.232 -17.146 1.00 11.10 C ATOM 661 OD1 ASP A 41 13.061 -6.025 -18.089 1.00 5.41 O ATOM 662 OD2 ASP A 41 13.554 -4.188 -17.012 1.00 3.23 O ATOM 0 H ASP A 41 10.626 -6.295 -13.769 1.00 71.13 H new ATOM 0 HA ASP A 41 12.365 -7.613 -15.827 1.00 45.11 H new ATOM 0 HB2 ASP A 41 10.838 -5.752 -16.660 1.00 50.54 H new ATOM 0 HB3 ASP A 41 11.593 -4.672 -15.504 1.00 50.54 H new ATOM 667 N ASP A 42 13.118 -6.900 -12.964 1.00 33.33 N ATOM 668 CA ASP A 42 14.038 -6.635 -11.821 1.00 60.52 C ATOM 669 C ASP A 42 13.946 -5.154 -11.341 1.00 50.43 C ATOM 670 O ASP A 42 13.658 -4.886 -10.167 1.00 0.24 O ATOM 671 CB ASP A 42 15.509 -7.059 -12.142 1.00 63.10 C ATOM 672 CG ASP A 42 16.410 -7.146 -10.899 1.00 35.41 C ATOM 673 OD1 ASP A 42 16.316 -8.148 -10.160 1.00 34.22 O ATOM 674 OD2 ASP A 42 17.212 -6.220 -10.648 1.00 11.03 O ATOM 0 H ASP A 42 12.311 -7.460 -12.689 1.00 33.33 H new ATOM 0 HA ASP A 42 13.708 -7.260 -10.992 1.00 60.52 H new ATOM 0 HB2 ASP A 42 15.498 -8.028 -12.641 1.00 63.10 H new ATOM 0 HB3 ASP A 42 15.940 -6.344 -12.843 1.00 63.10 H new ATOM 679 N LYS A 43 14.183 -4.211 -12.269 1.00 62.13 N ATOM 680 CA LYS A 43 14.129 -2.752 -12.011 1.00 71.14 C ATOM 681 C LYS A 43 12.692 -2.172 -12.204 1.00 55.40 C ATOM 682 O LYS A 43 12.324 -1.177 -11.565 1.00 3.40 O ATOM 683 CB LYS A 43 15.133 -2.040 -12.968 1.00 20.14 C ATOM 684 CG LYS A 43 14.716 -2.039 -14.469 1.00 43.54 C ATOM 685 CD LYS A 43 15.859 -1.626 -15.435 1.00 23.01 C ATOM 686 CE LYS A 43 16.907 -2.742 -15.618 1.00 34.35 C ATOM 687 NZ LYS A 43 16.311 -3.974 -16.220 1.00 41.03 N ATOM 0 H LYS A 43 14.421 -4.439 -13.234 1.00 62.13 H new ATOM 0 HA LYS A 43 14.403 -2.574 -10.971 1.00 71.14 H new ATOM 0 HB2 LYS A 43 15.257 -1.008 -12.639 1.00 20.14 H new ATOM 0 HB3 LYS A 43 16.106 -2.523 -12.876 1.00 20.14 H new ATOM 0 HG2 LYS A 43 14.366 -3.035 -14.740 1.00 43.54 H new ATOM 0 HG3 LYS A 43 13.876 -1.358 -14.603 1.00 43.54 H new ATOM 0 HD2 LYS A 43 15.435 -1.367 -16.405 1.00 23.01 H new ATOM 0 HD3 LYS A 43 16.349 -0.731 -15.052 1.00 23.01 H new ATOM 0 HE2 LYS A 43 17.714 -2.381 -16.255 1.00 34.35 H new ATOM 0 HE3 LYS A 43 17.349 -2.987 -14.652 1.00 34.35 H new ATOM 0 HZ1 LYS A 43 16.326 -4.744 -15.521 1.00 41.03 H new ATOM 0 HZ2 LYS A 43 15.329 -3.782 -16.502 1.00 41.03 H new ATOM 0 HZ3 LYS A 43 16.863 -4.254 -17.056 1.00 41.03 H new ATOM 701 N THR A 44 11.894 -2.805 -13.096 1.00 51.34 N ATOM 702 CA THR A 44 10.544 -2.313 -13.492 1.00 43.02 C ATOM 703 C THR A 44 9.490 -3.430 -13.325 1.00 14.01 C ATOM 704 O THR A 44 9.772 -4.590 -13.591 1.00 22.33 O ATOM 705 CB THR A 44 10.538 -1.819 -14.982 1.00 33.32 C ATOM 706 OG1 THR A 44 11.613 -0.893 -15.189 1.00 55.53 O ATOM 707 CG2 THR A 44 9.209 -1.138 -15.374 1.00 72.40 C ATOM 0 H THR A 44 12.163 -3.671 -13.563 1.00 51.34 H new ATOM 0 HA THR A 44 10.295 -1.476 -12.840 1.00 43.02 H new ATOM 0 HB THR A 44 10.660 -2.701 -15.611 1.00 33.32 H new ATOM 0 HG1 THR A 44 11.607 -0.588 -16.120 1.00 55.53 H new ATOM 0 HG21 THR A 44 9.258 -0.815 -16.414 1.00 72.40 H new ATOM 0 HG22 THR A 44 8.388 -1.845 -15.252 1.00 72.40 H new ATOM 0 HG23 THR A 44 9.041 -0.272 -14.733 1.00 72.40 H new ATOM 715 N VAL A 45 8.272 -3.066 -12.892 1.00 21.14 N ATOM 716 CA VAL A 45 7.163 -4.019 -12.665 1.00 35.15 C ATOM 717 C VAL A 45 6.032 -3.820 -13.717 1.00 73.24 C ATOM 718 O VAL A 45 5.387 -2.772 -13.742 1.00 70.21 O ATOM 719 CB VAL A 45 6.598 -3.836 -11.210 1.00 30.30 C ATOM 720 CG1 VAL A 45 5.451 -4.820 -10.931 1.00 63.31 C ATOM 721 CG2 VAL A 45 7.722 -3.988 -10.150 1.00 24.55 C ATOM 0 H VAL A 45 8.023 -2.098 -12.687 1.00 21.14 H new ATOM 0 HA VAL A 45 7.547 -5.033 -12.776 1.00 35.15 H new ATOM 0 HB VAL A 45 6.199 -2.824 -11.137 1.00 30.30 H new ATOM 0 HG11 VAL A 45 5.081 -4.669 -9.917 1.00 63.31 H new ATOM 0 HG12 VAL A 45 4.643 -4.648 -11.642 1.00 63.31 H new ATOM 0 HG13 VAL A 45 5.815 -5.842 -11.036 1.00 63.31 H new ATOM 0 HG21 VAL A 45 7.302 -3.856 -9.153 1.00 24.55 H new ATOM 0 HG22 VAL A 45 8.165 -4.981 -10.229 1.00 24.55 H new ATOM 0 HG23 VAL A 45 8.489 -3.234 -10.323 1.00 24.55 H new ATOM 731 N THR A 46 5.793 -4.840 -14.569 1.00 24.33 N ATOM 732 CA THR A 46 4.801 -4.770 -15.679 1.00 63.41 C ATOM 733 C THR A 46 3.473 -5.465 -15.289 1.00 24.13 C ATOM 734 O THR A 46 3.432 -6.684 -15.127 1.00 72.24 O ATOM 735 CB THR A 46 5.363 -5.433 -16.988 1.00 60.22 C ATOM 736 OG1 THR A 46 6.647 -4.865 -17.309 1.00 33.53 O ATOM 737 CG2 THR A 46 4.407 -5.256 -18.194 1.00 15.04 C ATOM 0 H THR A 46 6.278 -5.736 -14.512 1.00 24.33 H new ATOM 0 HA THR A 46 4.610 -3.713 -15.867 1.00 63.41 H new ATOM 0 HB THR A 46 5.459 -6.501 -16.795 1.00 60.22 H new ATOM 0 HG1 THR A 46 6.995 -5.282 -18.125 1.00 33.53 H new ATOM 0 HG21 THR A 46 4.840 -5.731 -19.074 1.00 15.04 H new ATOM 0 HG22 THR A 46 3.446 -5.718 -17.968 1.00 15.04 H new ATOM 0 HG23 THR A 46 4.261 -4.194 -18.390 1.00 15.04 H new ATOM 745 N PHE A 47 2.406 -4.671 -15.140 1.00 54.41 N ATOM 746 CA PHE A 47 1.042 -5.157 -14.839 1.00 33.11 C ATOM 747 C PHE A 47 0.292 -5.492 -16.144 1.00 23.42 C ATOM 748 O PHE A 47 -0.220 -4.598 -16.816 1.00 62.30 O ATOM 749 CB PHE A 47 0.249 -4.077 -14.059 1.00 22.23 C ATOM 750 CG PHE A 47 1.057 -3.358 -12.990 1.00 12.11 C ATOM 751 CD1 PHE A 47 1.417 -4.007 -11.819 1.00 22.04 C ATOM 752 CD2 PHE A 47 1.445 -2.026 -13.156 1.00 10.34 C ATOM 753 CE1 PHE A 47 2.140 -3.350 -10.842 1.00 63.24 C ATOM 754 CE2 PHE A 47 2.170 -1.370 -12.180 1.00 71.10 C ATOM 755 CZ PHE A 47 2.517 -2.033 -11.020 1.00 64.13 C ATOM 0 H PHE A 47 2.460 -3.656 -15.225 1.00 54.41 H new ATOM 0 HA PHE A 47 1.126 -6.057 -14.230 1.00 33.11 H new ATOM 0 HB2 PHE A 47 -0.132 -3.341 -14.767 1.00 22.23 H new ATOM 0 HB3 PHE A 47 -0.616 -4.546 -13.590 1.00 22.23 H new ATOM 0 HD1 PHE A 47 1.129 -5.037 -11.669 1.00 22.04 H new ATOM 0 HD2 PHE A 47 1.174 -1.502 -14.060 1.00 10.34 H new ATOM 0 HE1 PHE A 47 2.412 -3.869 -9.935 1.00 63.24 H new ATOM 0 HE2 PHE A 47 2.465 -0.341 -12.324 1.00 71.10 H new ATOM 0 HZ PHE A 47 3.082 -1.523 -10.253 1.00 64.13 H new ATOM 765 N CYS A 48 0.258 -6.773 -16.504 1.00 30.45 N ATOM 766 CA CYS A 48 -0.427 -7.252 -17.727 1.00 50.31 C ATOM 767 C CYS A 48 -1.885 -7.688 -17.428 1.00 64.25 C ATOM 768 O CYS A 48 -2.116 -8.662 -16.707 1.00 42.34 O ATOM 769 CB CYS A 48 0.362 -8.425 -18.347 1.00 14.21 C ATOM 770 SG CYS A 48 -0.344 -9.073 -19.881 1.00 20.31 S ATOM 0 H CYS A 48 0.701 -7.517 -15.964 1.00 30.45 H new ATOM 0 HA CYS A 48 -0.465 -6.426 -18.437 1.00 50.31 H new ATOM 0 HB2 CYS A 48 1.383 -8.097 -18.541 1.00 14.21 H new ATOM 0 HB3 CYS A 48 0.420 -9.233 -17.618 1.00 14.21 H new ATOM 0 HG CYS A 48 0.393 -10.050 -20.319 1.00 20.31 H new ATOM 776 N TRP A 49 -2.862 -6.933 -17.964 1.00 44.42 N ATOM 777 CA TRP A 49 -4.304 -7.283 -17.883 1.00 32.44 C ATOM 778 C TRP A 49 -4.791 -7.976 -19.179 1.00 11.14 C ATOM 779 O TRP A 49 -5.648 -8.867 -19.130 1.00 2.34 O ATOM 780 CB TRP A 49 -5.158 -6.017 -17.615 1.00 64.10 C ATOM 781 CG TRP A 49 -4.938 -5.392 -16.254 1.00 51.20 C ATOM 782 CD1 TRP A 49 -5.470 -5.806 -15.061 1.00 44.10 C ATOM 783 CD2 TRP A 49 -4.142 -4.235 -15.951 1.00 74.22 C ATOM 784 NE1 TRP A 49 -5.055 -4.980 -14.046 1.00 22.44 N ATOM 785 CE2 TRP A 49 -4.238 -4.011 -14.566 1.00 14.21 C ATOM 786 CE3 TRP A 49 -3.357 -3.372 -16.723 1.00 35.24 C ATOM 787 CZ2 TRP A 49 -3.584 -2.958 -13.933 1.00 11.42 C ATOM 788 CZ3 TRP A 49 -2.706 -2.325 -16.096 1.00 24.01 C ATOM 789 CH2 TRP A 49 -2.820 -2.127 -14.710 1.00 73.44 C ATOM 0 H TRP A 49 -2.681 -6.064 -18.466 1.00 44.42 H new ATOM 0 HA TRP A 49 -4.425 -7.980 -17.054 1.00 32.44 H new ATOM 0 HB2 TRP A 49 -4.937 -5.275 -18.382 1.00 64.10 H new ATOM 0 HB3 TRP A 49 -6.212 -6.276 -17.716 1.00 64.10 H new ATOM 0 HD1 TRP A 49 -6.121 -6.659 -14.937 1.00 44.10 H new ATOM 0 HE1 TRP A 49 -5.313 -5.073 -13.064 1.00 22.44 H new ATOM 0 HE3 TRP A 49 -3.261 -3.520 -17.788 1.00 35.24 H new ATOM 0 HZ2 TRP A 49 -3.675 -2.802 -12.868 1.00 11.42 H new ATOM 0 HZ3 TRP A 49 -2.100 -1.649 -16.681 1.00 24.01 H new ATOM 0 HH2 TRP A 49 -2.295 -1.304 -14.248 1.00 73.44 H new ATOM 800 N GLY A 50 -4.240 -7.553 -20.332 1.00 50.51 N ATOM 801 CA GLY A 50 -4.655 -8.085 -21.642 1.00 42.52 C ATOM 802 C GLY A 50 -3.601 -7.900 -22.738 1.00 74.53 C ATOM 803 O GLY A 50 -2.399 -7.902 -22.448 1.00 74.50 O ATOM 0 H GLY A 50 -3.507 -6.845 -20.382 1.00 50.51 H new ATOM 0 HA2 GLY A 50 -4.879 -9.147 -21.540 1.00 42.52 H new ATOM 0 HA3 GLY A 50 -5.578 -7.593 -21.949 1.00 42.52 H new ATOM 807 N LYS A 51 -4.066 -7.743 -24.000 1.00 74.40 N ATOM 808 CA LYS A 51 -3.183 -7.598 -25.195 1.00 62.31 C ATOM 809 C LYS A 51 -2.400 -6.259 -25.163 1.00 41.14 C ATOM 810 O LYS A 51 -1.193 -6.242 -24.908 1.00 3.13 O ATOM 811 CB LYS A 51 -4.005 -7.720 -26.529 1.00 41.03 C ATOM 812 CG LYS A 51 -4.419 -9.155 -26.953 1.00 74.24 C ATOM 813 CD LYS A 51 -5.405 -9.841 -25.981 1.00 52.13 C ATOM 814 CE LYS A 51 -5.909 -11.191 -26.515 1.00 1.12 C ATOM 815 NZ LYS A 51 -4.802 -12.146 -26.792 1.00 43.24 N ATOM 0 H LYS A 51 -5.061 -7.713 -24.224 1.00 74.40 H new ATOM 0 HA LYS A 51 -2.461 -8.414 -25.162 1.00 62.31 H new ATOM 0 HB2 LYS A 51 -4.909 -7.118 -26.430 1.00 41.03 H new ATOM 0 HB3 LYS A 51 -3.416 -7.282 -27.335 1.00 41.03 H new ATOM 0 HG2 LYS A 51 -4.872 -9.113 -27.943 1.00 74.24 H new ATOM 0 HG3 LYS A 51 -3.523 -9.770 -27.038 1.00 74.24 H new ATOM 0 HD2 LYS A 51 -4.916 -9.994 -25.019 1.00 52.13 H new ATOM 0 HD3 LYS A 51 -6.255 -9.182 -25.805 1.00 52.13 H new ATOM 0 HE2 LYS A 51 -6.592 -11.633 -25.789 1.00 1.12 H new ATOM 0 HE3 LYS A 51 -6.479 -11.026 -27.429 1.00 1.12 H new ATOM 0 HZ1 LYS A 51 -5.199 -13.062 -27.085 1.00 43.24 H new ATOM 0 HZ2 LYS A 51 -4.201 -11.770 -27.553 1.00 43.24 H new ATOM 0 HZ3 LYS A 51 -4.232 -12.275 -25.932 1.00 43.24 H new ATOM 829 N THR A 52 -3.106 -5.138 -25.421 1.00 72.13 N ATOM 830 CA THR A 52 -2.521 -3.771 -25.367 1.00 33.34 C ATOM 831 C THR A 52 -2.877 -3.057 -24.043 1.00 73.01 C ATOM 832 O THR A 52 -2.500 -1.896 -23.836 1.00 51.41 O ATOM 833 CB THR A 52 -2.987 -2.898 -26.582 1.00 33.52 C ATOM 834 OG1 THR A 52 -4.417 -2.730 -26.561 1.00 64.40 O ATOM 835 CG2 THR A 52 -2.562 -3.528 -27.925 1.00 32.42 C ATOM 0 H THR A 52 -4.095 -5.149 -25.672 1.00 72.13 H new ATOM 0 HA THR A 52 -1.439 -3.889 -25.420 1.00 33.34 H new ATOM 0 HB THR A 52 -2.505 -1.925 -26.490 1.00 33.52 H new ATOM 0 HG1 THR A 52 -4.693 -2.181 -27.325 1.00 64.40 H new ATOM 0 HG21 THR A 52 -2.901 -2.897 -28.746 1.00 32.42 H new ATOM 0 HG22 THR A 52 -1.476 -3.615 -27.959 1.00 32.42 H new ATOM 0 HG23 THR A 52 -3.008 -4.518 -28.020 1.00 32.42 H new ATOM 843 N GLU A 53 -3.588 -3.770 -23.138 1.00 14.41 N ATOM 844 CA GLU A 53 -3.941 -3.254 -21.800 1.00 2.14 C ATOM 845 C GLU A 53 -2.907 -3.717 -20.752 1.00 52.35 C ATOM 846 O GLU A 53 -3.036 -4.797 -20.155 1.00 15.13 O ATOM 847 CB GLU A 53 -5.385 -3.675 -21.400 1.00 32.33 C ATOM 848 CG GLU A 53 -5.908 -3.003 -20.109 1.00 64.31 C ATOM 849 CD GLU A 53 -7.404 -3.260 -19.844 1.00 2.14 C ATOM 850 OE1 GLU A 53 -8.248 -2.525 -20.400 1.00 63.32 O ATOM 851 OE2 GLU A 53 -7.743 -4.187 -19.077 1.00 21.31 O ATOM 0 H GLU A 53 -3.930 -4.714 -23.316 1.00 14.41 H new ATOM 0 HA GLU A 53 -3.919 -2.165 -21.836 1.00 2.14 H new ATOM 0 HB2 GLU A 53 -6.061 -3.435 -22.220 1.00 32.33 H new ATOM 0 HB3 GLU A 53 -5.413 -4.757 -21.270 1.00 32.33 H new ATOM 0 HG2 GLU A 53 -5.329 -3.366 -19.260 1.00 64.31 H new ATOM 0 HG3 GLU A 53 -5.738 -1.928 -20.174 1.00 64.31 H new ATOM 858 N GLN A 54 -1.850 -2.906 -20.588 1.00 52.44 N ATOM 859 CA GLN A 54 -0.820 -3.108 -19.551 1.00 65.10 C ATOM 860 C GLN A 54 -0.207 -1.758 -19.121 1.00 22.30 C ATOM 861 O GLN A 54 -0.242 -0.772 -19.871 1.00 21.31 O ATOM 862 CB GLN A 54 0.307 -4.094 -20.020 1.00 33.44 C ATOM 863 CG GLN A 54 1.295 -3.546 -21.083 1.00 13.22 C ATOM 864 CD GLN A 54 0.685 -3.350 -22.473 1.00 23.15 C ATOM 865 OE1 GLN A 54 -0.179 -4.108 -22.897 1.00 33.52 O ATOM 866 NE2 GLN A 54 1.114 -2.316 -23.177 1.00 72.22 N ATOM 0 H GLN A 54 -1.683 -2.087 -21.173 1.00 52.44 H new ATOM 0 HA GLN A 54 -1.315 -3.563 -18.693 1.00 65.10 H new ATOM 0 HB2 GLN A 54 0.880 -4.401 -19.145 1.00 33.44 H new ATOM 0 HB3 GLN A 54 -0.166 -4.990 -20.421 1.00 33.44 H new ATOM 0 HG2 GLN A 54 1.691 -2.592 -20.736 1.00 13.22 H new ATOM 0 HG3 GLN A 54 2.139 -4.231 -21.164 1.00 13.22 H new ATOM 0 HE21 GLN A 54 1.835 -1.703 -22.796 1.00 72.22 H new ATOM 0 HE22 GLN A 54 0.724 -2.131 -24.101 1.00 72.22 H new ATOM 875 N ARG A 55 0.342 -1.728 -17.899 1.00 14.11 N ATOM 876 CA ARG A 55 1.101 -0.576 -17.359 1.00 14.21 C ATOM 877 C ARG A 55 2.407 -1.066 -16.731 1.00 44.40 C ATOM 878 O ARG A 55 2.594 -2.260 -16.529 1.00 61.20 O ATOM 879 CB ARG A 55 0.263 0.222 -16.312 1.00 32.24 C ATOM 880 CG ARG A 55 -0.840 1.115 -16.921 1.00 70.30 C ATOM 881 CD ARG A 55 -0.264 2.240 -17.811 1.00 64.42 C ATOM 882 NE ARG A 55 -1.320 3.052 -18.441 1.00 1.14 N ATOM 883 CZ ARG A 55 -1.126 4.154 -19.133 1.00 20.45 C ATOM 884 NH1 ARG A 55 0.061 4.642 -19.315 1.00 31.22 N ATOM 885 NH2 ARG A 55 -2.138 4.772 -19.636 1.00 71.30 N ATOM 0 H ARG A 55 0.275 -2.508 -17.245 1.00 14.11 H new ATOM 0 HA ARG A 55 1.326 0.099 -18.184 1.00 14.21 H new ATOM 0 HB2 ARG A 55 -0.199 -0.483 -15.621 1.00 32.24 H new ATOM 0 HB3 ARG A 55 0.937 0.847 -15.726 1.00 32.24 H new ATOM 0 HG2 ARG A 55 -1.517 0.499 -17.512 1.00 70.30 H new ATOM 0 HG3 ARG A 55 -1.430 1.557 -16.118 1.00 70.30 H new ATOM 0 HD2 ARG A 55 0.376 2.885 -17.209 1.00 64.42 H new ATOM 0 HD3 ARG A 55 0.364 1.801 -18.586 1.00 64.42 H new ATOM 0 HE ARG A 55 -2.283 2.733 -18.331 1.00 1.14 H new ATOM 0 HH11 ARG A 55 0.873 4.170 -18.917 1.00 31.22 H new ATOM 0 HH12 ARG A 55 0.183 5.498 -19.856 1.00 31.22 H new ATOM 0 HH21 ARG A 55 -3.080 4.406 -19.496 1.00 71.30 H new ATOM 0 HH22 ARG A 55 -1.998 5.627 -20.174 1.00 71.30 H new ATOM 899 N GLN A 56 3.313 -0.128 -16.442 1.00 41.41 N ATOM 900 CA GLN A 56 4.625 -0.423 -15.824 1.00 64.32 C ATOM 901 C GLN A 56 4.973 0.636 -14.763 1.00 14.40 C ATOM 902 O GLN A 56 4.666 1.820 -14.930 1.00 3.24 O ATOM 903 CB GLN A 56 5.750 -0.491 -16.896 1.00 63.24 C ATOM 904 CG GLN A 56 5.568 -1.595 -17.952 1.00 42.34 C ATOM 905 CD GLN A 56 6.710 -1.678 -18.963 1.00 32.44 C ATOM 906 OE1 GLN A 56 6.676 -1.036 -20.002 1.00 23.41 O ATOM 907 NE2 GLN A 56 7.723 -2.467 -18.666 1.00 55.33 N ATOM 0 H GLN A 56 3.164 0.864 -16.628 1.00 41.41 H new ATOM 0 HA GLN A 56 4.552 -1.398 -15.342 1.00 64.32 H new ATOM 0 HB2 GLN A 56 5.808 0.472 -17.403 1.00 63.24 H new ATOM 0 HB3 GLN A 56 6.704 -0.643 -16.392 1.00 63.24 H new ATOM 0 HG2 GLN A 56 5.473 -2.556 -17.446 1.00 42.34 H new ATOM 0 HG3 GLN A 56 4.634 -1.422 -18.487 1.00 42.34 H new ATOM 0 HE21 GLN A 56 7.722 -2.990 -17.790 1.00 55.33 H new ATOM 0 HE22 GLN A 56 8.508 -2.554 -19.312 1.00 55.33 H new ATOM 916 N ALA A 57 5.628 0.192 -13.676 1.00 65.02 N ATOM 917 CA ALA A 57 6.060 1.069 -12.573 1.00 14.03 C ATOM 918 C ALA A 57 7.420 0.610 -12.004 1.00 3.54 C ATOM 919 O ALA A 57 7.555 -0.525 -11.538 1.00 53.52 O ATOM 920 CB ALA A 57 4.987 1.108 -11.464 1.00 63.10 C ATOM 0 H ALA A 57 5.874 -0.788 -13.537 1.00 65.02 H new ATOM 0 HA ALA A 57 6.185 2.078 -12.967 1.00 14.03 H new ATOM 0 HB1 ALA A 57 5.321 1.760 -10.657 1.00 63.10 H new ATOM 0 HB2 ALA A 57 4.052 1.490 -11.875 1.00 63.10 H new ATOM 0 HB3 ALA A 57 4.828 0.102 -11.076 1.00 63.10 H new ATOM 926 N GLY A 58 8.425 1.502 -12.069 1.00 31.13 N ATOM 927 CA GLY A 58 9.750 1.234 -11.487 1.00 43.21 C ATOM 928 C GLY A 58 9.799 1.479 -9.973 1.00 42.35 C ATOM 929 O GLY A 58 9.025 2.289 -9.443 1.00 35.22 O ATOM 0 H GLY A 58 8.343 2.414 -12.519 1.00 31.13 H new ATOM 0 HA2 GLY A 58 10.029 0.200 -11.692 1.00 43.21 H new ATOM 0 HA3 GLY A 58 10.491 1.867 -11.976 1.00 43.21 H new ATOM 933 N ILE A 59 10.718 0.785 -9.274 1.00 4.51 N ATOM 934 CA ILE A 59 10.894 0.934 -7.807 1.00 72.31 C ATOM 935 C ILE A 59 11.780 2.171 -7.513 1.00 2.54 C ATOM 936 O ILE A 59 12.860 2.314 -8.102 1.00 5.50 O ATOM 937 CB ILE A 59 11.546 -0.342 -7.116 1.00 15.44 C ATOM 938 CG1 ILE A 59 10.717 -1.657 -7.373 1.00 13.21 C ATOM 939 CG2 ILE A 59 11.724 -0.107 -5.584 1.00 32.34 C ATOM 940 CD1 ILE A 59 10.846 -2.265 -8.763 1.00 62.12 C ATOM 0 H ILE A 59 11.355 0.112 -9.700 1.00 4.51 H new ATOM 0 HA ILE A 59 9.896 1.055 -7.386 1.00 72.31 H new ATOM 0 HB ILE A 59 12.525 -0.483 -7.574 1.00 15.44 H new ATOM 0 HG12 ILE A 59 11.023 -2.405 -6.641 1.00 13.21 H new ATOM 0 HG13 ILE A 59 9.665 -1.442 -7.188 1.00 13.21 H new ATOM 0 HG21 ILE A 59 12.171 -0.991 -5.130 1.00 32.34 H new ATOM 0 HG22 ILE A 59 12.374 0.753 -5.421 1.00 32.34 H new ATOM 0 HG23 ILE A 59 10.751 0.082 -5.129 1.00 32.34 H new ATOM 0 HD11 ILE A 59 10.233 -3.164 -8.825 1.00 62.12 H new ATOM 0 HD12 ILE A 59 10.509 -1.544 -9.508 1.00 62.12 H new ATOM 0 HD13 ILE A 59 11.888 -2.522 -8.952 1.00 62.12 H new ATOM 952 N VAL A 60 11.328 3.048 -6.598 1.00 63.45 N ATOM 953 CA VAL A 60 12.097 4.247 -6.184 1.00 55.30 C ATOM 954 C VAL A 60 13.102 3.867 -5.066 1.00 51.23 C ATOM 955 O VAL A 60 14.313 4.086 -5.192 1.00 71.10 O ATOM 956 CB VAL A 60 11.143 5.396 -5.676 1.00 23.02 C ATOM 957 CG1 VAL A 60 11.926 6.693 -5.336 1.00 21.23 C ATOM 958 CG2 VAL A 60 10.013 5.674 -6.699 1.00 61.54 C ATOM 0 H VAL A 60 10.429 2.952 -6.126 1.00 63.45 H new ATOM 0 HA VAL A 60 12.638 4.617 -7.055 1.00 55.30 H new ATOM 0 HB VAL A 60 10.683 5.049 -4.751 1.00 23.02 H new ATOM 0 HG11 VAL A 60 11.231 7.458 -4.990 1.00 21.23 H new ATOM 0 HG12 VAL A 60 12.654 6.484 -4.552 1.00 21.23 H new ATOM 0 HG13 VAL A 60 12.444 7.049 -6.226 1.00 21.23 H new ATOM 0 HG21 VAL A 60 9.370 6.470 -6.324 1.00 61.54 H new ATOM 0 HG22 VAL A 60 10.450 5.978 -7.650 1.00 61.54 H new ATOM 0 HG23 VAL A 60 9.423 4.769 -6.844 1.00 61.54 H new ATOM 968 N ALA A 61 12.569 3.271 -3.982 1.00 71.51 N ATOM 969 CA ALA A 61 13.361 2.830 -2.812 1.00 0.42 C ATOM 970 C ALA A 61 12.621 1.704 -2.051 1.00 71.44 C ATOM 971 O ALA A 61 11.389 1.667 -2.031 1.00 73.33 O ATOM 972 CB ALA A 61 13.662 4.019 -1.878 1.00 54.31 C ATOM 0 H ALA A 61 11.571 3.080 -3.891 1.00 71.51 H new ATOM 0 HA ALA A 61 14.311 2.433 -3.169 1.00 0.42 H new ATOM 0 HB1 ALA A 61 14.245 3.673 -1.025 1.00 54.31 H new ATOM 0 HB2 ALA A 61 14.229 4.775 -2.422 1.00 54.31 H new ATOM 0 HB3 ALA A 61 12.725 4.451 -1.526 1.00 54.31 H new ATOM 978 N ILE A 62 13.391 0.794 -1.432 1.00 61.52 N ATOM 979 CA ILE A 62 12.853 -0.368 -0.680 1.00 34.31 C ATOM 980 C ILE A 62 13.931 -0.936 0.280 1.00 2.01 C ATOM 981 O ILE A 62 15.134 -0.816 0.016 1.00 62.32 O ATOM 982 CB ILE A 62 12.323 -1.510 -1.655 1.00 52.03 C ATOM 983 CG1 ILE A 62 11.776 -2.756 -0.859 1.00 14.45 C ATOM 984 CG2 ILE A 62 13.410 -1.920 -2.676 1.00 71.32 C ATOM 985 CD1 ILE A 62 11.294 -3.920 -1.712 1.00 72.32 C ATOM 0 H ILE A 62 14.410 0.838 -1.435 1.00 61.52 H new ATOM 0 HA ILE A 62 12.004 -0.015 -0.094 1.00 34.31 H new ATOM 0 HB ILE A 62 11.482 -1.097 -2.213 1.00 52.03 H new ATOM 0 HG12 ILE A 62 12.563 -3.116 -0.197 1.00 14.45 H new ATOM 0 HG13 ILE A 62 10.952 -2.427 -0.226 1.00 14.45 H new ATOM 0 HG21 ILE A 62 13.020 -2.701 -3.329 1.00 71.32 H new ATOM 0 HG22 ILE A 62 13.692 -1.054 -3.275 1.00 71.32 H new ATOM 0 HG23 ILE A 62 14.285 -2.294 -2.145 1.00 71.32 H new ATOM 0 HD11 ILE A 62 10.939 -4.723 -1.065 1.00 72.32 H new ATOM 0 HD12 ILE A 62 10.480 -3.587 -2.356 1.00 72.32 H new ATOM 0 HD13 ILE A 62 12.117 -4.286 -2.326 1.00 72.32 H new ATOM 997 N ARG A 63 13.481 -1.537 1.399 1.00 55.34 N ATOM 998 CA ARG A 63 14.354 -2.258 2.348 1.00 23.42 C ATOM 999 C ARG A 63 13.515 -3.323 3.101 1.00 34.41 C ATOM 1000 O ARG A 63 12.799 -2.999 4.057 1.00 65.22 O ATOM 1001 CB ARG A 63 15.023 -1.261 3.331 1.00 33.33 C ATOM 1002 CG ARG A 63 16.052 -1.885 4.295 1.00 50.13 C ATOM 1003 CD ARG A 63 16.724 -0.839 5.202 1.00 73.00 C ATOM 1004 NE ARG A 63 17.679 -1.451 6.145 1.00 22.32 N ATOM 1005 CZ ARG A 63 18.631 -0.809 6.793 1.00 52.53 C ATOM 1006 NH1 ARG A 63 18.826 0.462 6.629 1.00 13.55 N ATOM 1007 NH2 ARG A 63 19.402 -1.464 7.597 1.00 24.13 N ATOM 0 H ARG A 63 12.498 -1.536 1.672 1.00 55.34 H new ATOM 0 HA ARG A 63 15.152 -2.764 1.805 1.00 23.42 H new ATOM 0 HB2 ARG A 63 15.517 -0.480 2.752 1.00 33.33 H new ATOM 0 HB3 ARG A 63 14.244 -0.777 3.920 1.00 33.33 H new ATOM 0 HG2 ARG A 63 15.557 -2.633 4.914 1.00 50.13 H new ATOM 0 HG3 ARG A 63 16.817 -2.405 3.718 1.00 50.13 H new ATOM 0 HD2 ARG A 63 17.244 -0.106 4.585 1.00 73.00 H new ATOM 0 HD3 ARG A 63 15.959 -0.300 5.761 1.00 73.00 H new ATOM 0 HE ARG A 63 17.596 -2.454 6.309 1.00 22.32 H new ATOM 0 HH11 ARG A 63 18.236 0.990 5.986 1.00 13.55 H new ATOM 0 HH12 ARG A 63 19.570 0.934 7.143 1.00 13.55 H new ATOM 0 HH21 ARG A 63 19.271 -2.467 7.725 1.00 24.13 H new ATOM 0 HH22 ARG A 63 20.142 -0.978 8.104 1.00 24.13 H new ATOM 1021 N ALA A 64 13.640 -4.590 2.646 1.00 31.45 N ATOM 1022 CA ALA A 64 12.848 -5.755 3.121 1.00 63.23 C ATOM 1023 C ALA A 64 11.311 -5.480 3.145 1.00 73.31 C ATOM 1024 O ALA A 64 10.612 -5.731 2.161 1.00 0.32 O ATOM 1025 CB ALA A 64 13.371 -6.272 4.478 1.00 42.35 C ATOM 0 H ALA A 64 14.311 -4.841 1.920 1.00 31.45 H new ATOM 0 HA ALA A 64 12.991 -6.550 2.389 1.00 63.23 H new ATOM 0 HB1 ALA A 64 12.771 -7.124 4.798 1.00 42.35 H new ATOM 0 HB2 ALA A 64 14.412 -6.579 4.374 1.00 42.35 H new ATOM 0 HB3 ALA A 64 13.300 -5.478 5.222 1.00 42.35 H new ATOM 1031 N TYR A 65 10.809 -4.932 4.270 1.00 74.52 N ATOM 1032 CA TYR A 65 9.381 -4.538 4.435 1.00 2.50 C ATOM 1033 C TYR A 65 9.245 -3.289 5.352 1.00 42.13 C ATOM 1034 O TYR A 65 8.126 -2.840 5.658 1.00 24.33 O ATOM 1035 CB TYR A 65 8.551 -5.733 4.982 1.00 33.33 C ATOM 1036 CG TYR A 65 9.015 -6.272 6.348 1.00 50.03 C ATOM 1037 CD1 TYR A 65 10.010 -7.250 6.441 1.00 4.43 C ATOM 1038 CD2 TYR A 65 8.444 -5.816 7.542 1.00 42.21 C ATOM 1039 CE1 TYR A 65 10.421 -7.742 7.666 1.00 75.12 C ATOM 1040 CE2 TYR A 65 8.849 -6.309 8.767 1.00 53.13 C ATOM 1041 CZ TYR A 65 9.836 -7.276 8.825 1.00 32.20 C ATOM 1042 OH TYR A 65 10.234 -7.779 10.046 1.00 25.15 O ATOM 0 H TYR A 65 11.378 -4.747 5.096 1.00 74.52 H new ATOM 0 HA TYR A 65 8.984 -4.267 3.457 1.00 2.50 H new ATOM 0 HB2 TYR A 65 7.509 -5.425 5.064 1.00 33.33 H new ATOM 0 HB3 TYR A 65 8.588 -6.545 4.256 1.00 33.33 H new ATOM 0 HD1 TYR A 65 10.466 -7.628 5.538 1.00 4.43 H new ATOM 0 HD2 TYR A 65 7.671 -5.063 7.505 1.00 42.21 H new ATOM 0 HE1 TYR A 65 11.199 -8.490 7.715 1.00 75.12 H new ATOM 0 HE2 TYR A 65 8.397 -5.941 9.676 1.00 53.13 H new ATOM 0 HH TYR A 65 9.724 -7.344 10.761 1.00 25.15 H new ATOM 1052 N SER A 66 10.408 -2.736 5.779 1.00 71.33 N ATOM 1053 CA SER A 66 10.485 -1.460 6.544 1.00 14.05 C ATOM 1054 C SER A 66 9.901 -0.276 5.736 1.00 51.45 C ATOM 1055 O SER A 66 9.418 0.687 6.317 1.00 52.14 O ATOM 1056 CB SER A 66 11.951 -1.131 6.932 1.00 35.24 C ATOM 1057 OG SER A 66 12.495 -2.104 7.804 1.00 54.01 O ATOM 0 H SER A 66 11.319 -3.159 5.604 1.00 71.33 H new ATOM 0 HA SER A 66 9.892 -1.599 7.448 1.00 14.05 H new ATOM 0 HB2 SER A 66 12.561 -1.070 6.030 1.00 35.24 H new ATOM 0 HB3 SER A 66 11.990 -0.152 7.410 1.00 35.24 H new ATOM 0 HG SER A 66 13.419 -1.865 8.025 1.00 54.01 H new ATOM 1063 N PHE A 67 9.987 -0.374 4.393 1.00 15.04 N ATOM 1064 CA PHE A 67 9.431 0.626 3.445 1.00 62.31 C ATOM 1065 C PHE A 67 9.578 0.139 1.987 1.00 53.31 C ATOM 1066 O PHE A 67 10.529 -0.586 1.661 1.00 50.41 O ATOM 1067 CB PHE A 67 10.078 2.044 3.610 1.00 40.25 C ATOM 1068 CG PHE A 67 11.607 2.100 3.483 1.00 33.21 C ATOM 1069 CD1 PHE A 67 12.230 2.262 2.243 1.00 70.31 C ATOM 1070 CD2 PHE A 67 12.421 2.008 4.613 1.00 34.11 C ATOM 1071 CE1 PHE A 67 13.604 2.332 2.139 1.00 12.22 C ATOM 1072 CE2 PHE A 67 13.798 2.074 4.508 1.00 15.34 C ATOM 1073 CZ PHE A 67 14.388 2.239 3.269 1.00 44.30 C ATOM 0 H PHE A 67 10.448 -1.156 3.927 1.00 15.04 H new ATOM 0 HA PHE A 67 8.373 0.726 3.686 1.00 62.31 H new ATOM 0 HB2 PHE A 67 9.646 2.709 2.862 1.00 40.25 H new ATOM 0 HB3 PHE A 67 9.799 2.438 4.587 1.00 40.25 H new ATOM 0 HD1 PHE A 67 11.626 2.334 1.351 1.00 70.31 H new ATOM 0 HD2 PHE A 67 11.968 1.883 5.585 1.00 34.11 H new ATOM 0 HE1 PHE A 67 14.066 2.460 1.171 1.00 12.22 H new ATOM 0 HE2 PHE A 67 14.412 1.997 5.393 1.00 15.34 H new ATOM 0 HZ PHE A 67 15.463 2.295 3.186 1.00 44.30 H new ATOM 1083 N ILE A 68 8.617 0.529 1.127 1.00 4.34 N ATOM 1084 CA ILE A 68 8.670 0.257 -0.325 1.00 60.10 C ATOM 1085 C ILE A 68 7.924 1.359 -1.115 1.00 13.51 C ATOM 1086 O ILE A 68 6.847 1.809 -0.716 1.00 74.12 O ATOM 1087 CB ILE A 68 8.096 -1.169 -0.672 1.00 73.14 C ATOM 1088 CG1 ILE A 68 8.269 -1.504 -2.193 1.00 14.13 C ATOM 1089 CG2 ILE A 68 6.619 -1.301 -0.227 1.00 54.14 C ATOM 1090 CD1 ILE A 68 7.857 -2.916 -2.575 1.00 13.10 C ATOM 0 H ILE A 68 7.784 1.040 1.417 1.00 4.34 H new ATOM 0 HA ILE A 68 9.718 0.267 -0.624 1.00 60.10 H new ATOM 0 HB ILE A 68 8.676 -1.902 -0.112 1.00 73.14 H new ATOM 0 HG12 ILE A 68 7.681 -0.796 -2.778 1.00 14.13 H new ATOM 0 HG13 ILE A 68 9.313 -1.356 -2.469 1.00 14.13 H new ATOM 0 HG21 ILE A 68 6.250 -2.295 -0.480 1.00 54.14 H new ATOM 0 HG22 ILE A 68 6.549 -1.151 0.850 1.00 54.14 H new ATOM 0 HG23 ILE A 68 6.017 -0.550 -0.738 1.00 54.14 H new ATOM 0 HD11 ILE A 68 8.009 -3.063 -3.644 1.00 13.10 H new ATOM 0 HD12 ILE A 68 8.461 -3.634 -2.021 1.00 13.10 H new ATOM 0 HD13 ILE A 68 6.804 -3.066 -2.334 1.00 13.10 H new ATOM 1102 N ARG A 69 8.536 1.812 -2.228 1.00 32.05 N ATOM 1103 CA ARG A 69 8.013 2.920 -3.063 1.00 22.44 C ATOM 1104 C ARG A 69 7.983 2.520 -4.556 1.00 11.21 C ATOM 1105 O ARG A 69 8.922 1.891 -5.051 1.00 33.31 O ATOM 1106 CB ARG A 69 8.887 4.204 -2.905 1.00 31.31 C ATOM 1107 CG ARG A 69 8.930 4.838 -1.491 1.00 43.42 C ATOM 1108 CD ARG A 69 9.965 4.206 -0.538 1.00 50.02 C ATOM 1109 NE ARG A 69 9.925 4.820 0.805 1.00 12.23 N ATOM 1110 CZ ARG A 69 10.955 5.334 1.450 1.00 15.12 C ATOM 1111 NH1 ARG A 69 12.138 5.374 0.919 1.00 63.23 N ATOM 1112 NH2 ARG A 69 10.778 5.832 2.623 1.00 21.22 N ATOM 0 H ARG A 69 9.411 1.420 -2.577 1.00 32.05 H new ATOM 0 HA ARG A 69 6.999 3.128 -2.721 1.00 22.44 H new ATOM 0 HB2 ARG A 69 9.907 3.962 -3.202 1.00 31.31 H new ATOM 0 HB3 ARG A 69 8.521 4.955 -3.605 1.00 31.31 H new ATOM 0 HG2 ARG A 69 9.148 5.901 -1.590 1.00 43.42 H new ATOM 0 HG3 ARG A 69 7.941 4.756 -1.039 1.00 43.42 H new ATOM 0 HD2 ARG A 69 9.775 3.136 -0.454 1.00 50.02 H new ATOM 0 HD3 ARG A 69 10.964 4.320 -0.960 1.00 50.02 H new ATOM 0 HE ARG A 69 9.021 4.849 1.276 1.00 12.23 H new ATOM 0 HH11 ARG A 69 12.289 5.003 -0.019 1.00 63.23 H new ATOM 0 HH12 ARG A 69 12.917 5.777 1.439 1.00 63.23 H new ATOM 0 HH21 ARG A 69 9.849 5.827 3.045 1.00 21.22 H new ATOM 0 HH22 ARG A 69 11.567 6.232 3.131 1.00 21.22 H new ATOM 1126 N PHE A 70 6.907 2.907 -5.262 1.00 23.11 N ATOM 1127 CA PHE A 70 6.784 2.740 -6.734 1.00 63.13 C ATOM 1128 C PHE A 70 6.488 4.088 -7.410 1.00 42.45 C ATOM 1129 O PHE A 70 5.955 5.001 -6.780 1.00 64.02 O ATOM 1130 CB PHE A 70 5.662 1.731 -7.092 1.00 23.52 C ATOM 1131 CG PHE A 70 5.984 0.296 -6.709 1.00 24.12 C ATOM 1132 CD1 PHE A 70 6.740 -0.514 -7.557 1.00 42.02 C ATOM 1133 CD2 PHE A 70 5.557 -0.237 -5.498 1.00 1.31 C ATOM 1134 CE1 PHE A 70 7.050 -1.808 -7.204 1.00 64.24 C ATOM 1135 CE2 PHE A 70 5.867 -1.529 -5.152 1.00 14.02 C ATOM 1136 CZ PHE A 70 6.617 -2.314 -6.001 1.00 35.55 C ATOM 0 H PHE A 70 6.092 3.346 -4.834 1.00 23.11 H new ATOM 0 HA PHE A 70 7.735 2.353 -7.099 1.00 63.13 H new ATOM 0 HB2 PHE A 70 4.741 2.033 -6.592 1.00 23.52 H new ATOM 0 HB3 PHE A 70 5.473 1.777 -8.164 1.00 23.52 H new ATOM 0 HD1 PHE A 70 7.086 -0.121 -8.502 1.00 42.02 H new ATOM 0 HD2 PHE A 70 4.975 0.372 -4.822 1.00 1.31 H new ATOM 0 HE1 PHE A 70 7.633 -2.425 -7.871 1.00 64.24 H new ATOM 0 HE2 PHE A 70 5.522 -1.932 -4.211 1.00 14.02 H new ATOM 0 HZ PHE A 70 6.865 -3.327 -5.721 1.00 35.55 H new ATOM 1146 N HIS A 71 6.849 4.184 -8.695 1.00 74.12 N ATOM 1147 CA HIS A 71 6.532 5.329 -9.572 1.00 2.41 C ATOM 1148 C HIS A 71 6.355 4.814 -11.014 1.00 31.53 C ATOM 1149 O HIS A 71 7.191 4.052 -11.506 1.00 52.21 O ATOM 1150 CB HIS A 71 7.641 6.435 -9.496 1.00 51.14 C ATOM 1151 CG HIS A 71 7.246 7.688 -8.752 1.00 23.15 C ATOM 1152 ND1 HIS A 71 7.391 8.942 -9.286 1.00 11.54 N ATOM 1153 CD2 HIS A 71 6.700 7.875 -7.523 1.00 65.33 C ATOM 1154 CE1 HIS A 71 6.960 9.844 -8.436 1.00 24.41 C ATOM 1155 NE2 HIS A 71 6.533 9.229 -7.355 1.00 62.22 N ATOM 0 H HIS A 71 7.381 3.455 -9.169 1.00 74.12 H new ATOM 0 HA HIS A 71 5.605 5.793 -9.235 1.00 2.41 H new ATOM 0 HB2 HIS A 71 8.524 6.010 -9.018 1.00 51.14 H new ATOM 0 HB3 HIS A 71 7.929 6.709 -10.511 1.00 51.14 H new ATOM 0 HD2 HIS A 71 6.445 7.104 -6.811 1.00 65.33 H new ATOM 0 HE1 HIS A 71 6.957 10.912 -8.597 1.00 24.41 H new ATOM 0 HE2 HIS A 71 6.142 9.682 -6.529 1.00 62.22 H new ATOM 1164 N TRP A 72 5.269 5.242 -11.682 1.00 60.44 N ATOM 1165 CA TRP A 72 4.905 4.748 -13.034 1.00 2.43 C ATOM 1166 C TRP A 72 5.877 5.257 -14.124 1.00 21.13 C ATOM 1167 O TRP A 72 6.565 6.262 -13.942 1.00 33.14 O ATOM 1168 CB TRP A 72 3.441 5.144 -13.377 1.00 70.32 C ATOM 1169 CG TRP A 72 2.435 4.689 -12.334 1.00 44.14 C ATOM 1170 CD1 TRP A 72 2.094 3.397 -12.014 1.00 33.54 C ATOM 1171 CD2 TRP A 72 1.643 5.530 -11.478 1.00 34.14 C ATOM 1172 NE1 TRP A 72 1.166 3.391 -11.002 1.00 72.33 N ATOM 1173 CE2 TRP A 72 0.871 4.685 -10.657 1.00 54.15 C ATOM 1174 CE3 TRP A 72 1.522 6.917 -11.320 1.00 2.35 C ATOM 1175 CZ2 TRP A 72 -0.011 5.178 -9.697 1.00 70.53 C ATOM 1176 CZ3 TRP A 72 0.643 7.408 -10.368 1.00 33.01 C ATOM 1177 CH2 TRP A 72 -0.109 6.539 -9.563 1.00 63.32 C ATOM 0 H TRP A 72 4.620 5.934 -11.309 1.00 60.44 H new ATOM 0 HA TRP A 72 4.986 3.661 -13.016 1.00 2.43 H new ATOM 0 HB2 TRP A 72 3.380 6.227 -13.482 1.00 70.32 H new ATOM 0 HB3 TRP A 72 3.173 4.715 -14.342 1.00 70.32 H new ATOM 0 HD1 TRP A 72 2.497 2.515 -12.489 1.00 33.54 H new ATOM 0 HE1 TRP A 72 0.761 2.558 -10.575 1.00 72.33 H new ATOM 0 HE3 TRP A 72 2.104 7.592 -11.930 1.00 2.35 H new ATOM 0 HZ2 TRP A 72 -0.596 4.512 -9.081 1.00 70.53 H new ATOM 0 HZ3 TRP A 72 0.535 8.475 -10.244 1.00 33.01 H new ATOM 0 HH2 TRP A 72 -0.779 6.951 -8.823 1.00 63.32 H new ATOM 1188 N LEU A 73 5.921 4.544 -15.265 1.00 41.11 N ATOM 1189 CA LEU A 73 6.743 4.942 -16.436 1.00 11.35 C ATOM 1190 C LEU A 73 6.210 6.245 -17.104 1.00 44.44 C ATOM 1191 O LEU A 73 6.928 6.895 -17.872 1.00 24.32 O ATOM 1192 CB LEU A 73 6.834 3.759 -17.457 1.00 52.01 C ATOM 1193 CG LEU A 73 8.171 2.944 -17.451 1.00 42.32 C ATOM 1194 CD1 LEU A 73 8.150 1.816 -18.505 1.00 64.14 C ATOM 1195 CD2 LEU A 73 9.391 3.873 -17.661 1.00 22.11 C ATOM 0 H LEU A 73 5.394 3.682 -15.406 1.00 41.11 H new ATOM 0 HA LEU A 73 7.750 5.168 -16.084 1.00 11.35 H new ATOM 0 HB2 LEU A 73 6.012 3.071 -17.259 1.00 52.01 H new ATOM 0 HB3 LEU A 73 6.680 4.159 -18.459 1.00 52.01 H new ATOM 0 HG LEU A 73 8.266 2.479 -16.470 1.00 42.32 H new ATOM 0 HD11 LEU A 73 9.093 1.271 -18.473 1.00 64.14 H new ATOM 0 HD12 LEU A 73 7.328 1.133 -18.290 1.00 64.14 H new ATOM 0 HD13 LEU A 73 8.013 2.247 -19.497 1.00 64.14 H new ATOM 0 HD21 LEU A 73 10.306 3.280 -17.652 1.00 22.11 H new ATOM 0 HD22 LEU A 73 9.299 4.384 -18.620 1.00 22.11 H new ATOM 0 HD23 LEU A 73 9.429 4.610 -16.859 1.00 22.11 H new ATOM 1311 N TYR A 81 4.423 11.932 -3.354 1.00 23.52 N ATOM 1312 CA TYR A 81 4.872 10.512 -3.386 1.00 4.31 C ATOM 1313 C TYR A 81 3.910 9.601 -2.586 1.00 21.01 C ATOM 1314 O TYR A 81 3.099 10.087 -1.787 1.00 61.30 O ATOM 1315 CB TYR A 81 6.319 10.374 -2.816 1.00 32.01 C ATOM 1316 CG TYR A 81 6.454 10.635 -1.293 1.00 32.52 C ATOM 1317 CD1 TYR A 81 6.443 11.933 -0.771 1.00 31.34 C ATOM 1318 CD2 TYR A 81 6.581 9.574 -0.379 1.00 32.44 C ATOM 1319 CE1 TYR A 81 6.560 12.164 0.590 1.00 3.41 C ATOM 1320 CE2 TYR A 81 6.699 9.805 0.979 1.00 71.14 C ATOM 1321 CZ TYR A 81 6.686 11.098 1.458 1.00 1.52 C ATOM 1322 OH TYR A 81 6.809 11.325 2.814 1.00 4.32 O ATOM 0 HA TYR A 81 4.868 10.193 -4.428 1.00 4.31 H new ATOM 0 HB2 TYR A 81 6.683 9.369 -3.030 1.00 32.01 H new ATOM 0 HB3 TYR A 81 6.970 11.069 -3.347 1.00 32.01 H new ATOM 0 HD1 TYR A 81 6.341 12.772 -1.443 1.00 31.34 H new ATOM 0 HD2 TYR A 81 6.586 8.558 -0.745 1.00 32.44 H new ATOM 0 HE1 TYR A 81 6.553 13.175 0.971 1.00 3.41 H new ATOM 0 HE2 TYR A 81 6.801 8.975 1.663 1.00 71.14 H new ATOM 0 HH TYR A 81 6.887 10.468 3.283 1.00 4.32 H new ATOM 1332 N PHE A 82 4.036 8.273 -2.792 1.00 62.52 N ATOM 1333 CA PHE A 82 3.331 7.257 -1.973 1.00 0.43 C ATOM 1334 C PHE A 82 4.283 6.090 -1.605 1.00 1.01 C ATOM 1335 O PHE A 82 5.114 5.670 -2.424 1.00 11.05 O ATOM 1336 CB PHE A 82 2.047 6.727 -2.692 1.00 44.24 C ATOM 1337 CG PHE A 82 2.280 5.897 -3.963 1.00 21.34 C ATOM 1338 CD1 PHE A 82 2.617 6.509 -5.175 1.00 61.31 C ATOM 1339 CD2 PHE A 82 2.158 4.500 -3.944 1.00 15.10 C ATOM 1340 CE1 PHE A 82 2.817 5.761 -6.321 1.00 71.20 C ATOM 1341 CE2 PHE A 82 2.359 3.754 -5.095 1.00 15.53 C ATOM 1342 CZ PHE A 82 2.690 4.385 -6.281 1.00 75.22 C ATOM 0 H PHE A 82 4.624 7.874 -3.524 1.00 62.52 H new ATOM 0 HA PHE A 82 3.011 7.741 -1.050 1.00 0.43 H new ATOM 0 HB2 PHE A 82 1.483 6.120 -1.984 1.00 44.24 H new ATOM 0 HB3 PHE A 82 1.420 7.581 -2.950 1.00 44.24 H new ATOM 0 HD1 PHE A 82 2.723 7.583 -5.216 1.00 61.31 H new ATOM 0 HD2 PHE A 82 1.904 3.999 -3.021 1.00 15.10 H new ATOM 0 HE1 PHE A 82 3.073 6.252 -7.248 1.00 71.20 H new ATOM 0 HE2 PHE A 82 2.257 2.679 -5.066 1.00 15.53 H new ATOM 0 HZ PHE A 82 2.849 3.802 -7.176 1.00 75.22 H new ATOM 1352 N GLU A 83 4.166 5.593 -0.358 1.00 11.13 N ATOM 1353 CA GLU A 83 4.930 4.416 0.124 1.00 10.31 C ATOM 1354 C GLU A 83 4.075 3.532 1.050 1.00 5.44 C ATOM 1355 O GLU A 83 3.086 3.985 1.626 1.00 44.20 O ATOM 1356 CB GLU A 83 6.235 4.839 0.853 1.00 63.03 C ATOM 1357 CG GLU A 83 6.062 5.554 2.205 1.00 54.13 C ATOM 1358 CD GLU A 83 7.409 5.813 2.897 1.00 21.34 C ATOM 1359 OE1 GLU A 83 7.919 4.906 3.598 1.00 53.31 O ATOM 1360 OE2 GLU A 83 7.996 6.901 2.698 1.00 2.03 O ATOM 0 H GLU A 83 3.543 5.991 0.344 1.00 11.13 H new ATOM 0 HA GLU A 83 5.202 3.835 -0.757 1.00 10.31 H new ATOM 0 HB2 GLU A 83 6.841 3.947 1.013 1.00 63.03 H new ATOM 0 HB3 GLU A 83 6.800 5.494 0.190 1.00 63.03 H new ATOM 0 HG2 GLU A 83 5.546 6.502 2.050 1.00 54.13 H new ATOM 0 HG3 GLU A 83 5.430 4.950 2.856 1.00 54.13 H new ATOM 1367 N ILE A 84 4.466 2.252 1.170 1.00 0.15 N ATOM 1368 CA ILE A 84 3.815 1.283 2.079 1.00 25.24 C ATOM 1369 C ILE A 84 4.885 0.662 3.010 1.00 55.13 C ATOM 1370 O ILE A 84 5.981 0.319 2.558 1.00 40.44 O ATOM 1371 CB ILE A 84 3.048 0.122 1.317 1.00 4.22 C ATOM 1372 CG1 ILE A 84 2.006 0.670 0.267 1.00 11.20 C ATOM 1373 CG2 ILE A 84 2.356 -0.824 2.337 1.00 63.23 C ATOM 1374 CD1 ILE A 84 2.579 1.024 -1.100 1.00 61.23 C ATOM 0 H ILE A 84 5.243 1.856 0.641 1.00 0.15 H new ATOM 0 HA ILE A 84 3.067 1.835 2.649 1.00 25.24 H new ATOM 0 HB ILE A 84 3.792 -0.441 0.753 1.00 4.22 H new ATOM 0 HG12 ILE A 84 1.225 -0.078 0.132 1.00 11.20 H new ATOM 0 HG13 ILE A 84 1.529 1.558 0.683 1.00 11.20 H new ATOM 0 HG21 ILE A 84 1.833 -1.616 1.802 1.00 63.23 H new ATOM 0 HG22 ILE A 84 3.107 -1.264 2.993 1.00 63.23 H new ATOM 0 HG23 ILE A 84 1.642 -0.256 2.933 1.00 63.23 H new ATOM 0 HD11 ILE A 84 1.781 1.390 -1.745 1.00 61.23 H new ATOM 0 HD12 ILE A 84 3.338 1.798 -0.987 1.00 61.23 H new ATOM 0 HD13 ILE A 84 3.029 0.137 -1.547 1.00 61.23 H new ATOM 1386 N LYS A 85 4.577 0.561 4.313 1.00 61.53 N ATOM 1387 CA LYS A 85 5.428 -0.152 5.296 1.00 12.51 C ATOM 1388 C LYS A 85 4.568 -0.976 6.278 1.00 54.35 C ATOM 1389 O LYS A 85 3.345 -0.796 6.354 1.00 20.23 O ATOM 1390 CB LYS A 85 6.290 0.871 6.090 1.00 24.51 C ATOM 1391 CG LYS A 85 5.475 1.943 6.848 1.00 2.54 C ATOM 1392 CD LYS A 85 6.302 2.828 7.824 1.00 55.52 C ATOM 1393 CE LYS A 85 7.270 3.814 7.132 1.00 64.35 C ATOM 1394 NZ LYS A 85 8.438 3.140 6.516 1.00 4.53 N ATOM 0 H LYS A 85 3.735 0.968 4.720 1.00 61.53 H new ATOM 0 HA LYS A 85 6.079 -0.835 4.750 1.00 12.51 H new ATOM 0 HB2 LYS A 85 6.908 0.329 6.806 1.00 24.51 H new ATOM 0 HB3 LYS A 85 6.968 1.370 5.398 1.00 24.51 H new ATOM 0 HG2 LYS A 85 4.987 2.590 6.119 1.00 2.54 H new ATOM 0 HG3 LYS A 85 4.685 1.446 7.412 1.00 2.54 H new ATOM 0 HD2 LYS A 85 5.614 3.394 8.452 1.00 55.52 H new ATOM 0 HD3 LYS A 85 6.876 2.179 8.485 1.00 55.52 H new ATOM 0 HE2 LYS A 85 6.729 4.367 6.364 1.00 64.35 H new ATOM 0 HE3 LYS A 85 7.621 4.543 7.862 1.00 64.35 H new ATOM 0 HZ1 LYS A 85 9.296 3.702 6.692 1.00 4.53 H new ATOM 0 HZ2 LYS A 85 8.552 2.194 6.932 1.00 4.53 H new ATOM 0 HZ3 LYS A 85 8.287 3.051 5.491 1.00 4.53 H new ATOM 1408 N MET A 86 5.227 -1.870 7.033 1.00 43.22 N ATOM 1409 CA MET A 86 4.613 -2.569 8.181 1.00 42.41 C ATOM 1410 C MET A 86 5.655 -2.820 9.286 1.00 22.42 C ATOM 1411 O MET A 86 6.867 -2.867 9.033 1.00 5.53 O ATOM 1412 CB MET A 86 3.948 -3.917 7.781 1.00 1.15 C ATOM 1413 CG MET A 86 4.904 -4.975 7.191 1.00 62.44 C ATOM 1414 SD MET A 86 5.166 -4.784 5.422 1.00 61.41 S ATOM 1415 CE MET A 86 3.527 -5.164 4.823 1.00 31.21 C ATOM 0 H MET A 86 6.199 -2.130 6.868 1.00 43.22 H new ATOM 0 HA MET A 86 3.828 -1.912 8.554 1.00 42.41 H new ATOM 0 HB2 MET A 86 3.464 -4.340 8.661 1.00 1.15 H new ATOM 0 HB3 MET A 86 3.163 -3.714 7.052 1.00 1.15 H new ATOM 0 HG2 MET A 86 5.864 -4.913 7.703 1.00 62.44 H new ATOM 0 HG3 MET A 86 4.501 -5.969 7.387 1.00 62.44 H new ATOM 0 HE1 MET A 86 3.599 -5.657 3.854 1.00 31.21 H new ATOM 0 HE2 MET A 86 3.025 -5.825 5.530 1.00 31.21 H new ATOM 0 HE3 MET A 86 2.955 -4.242 4.720 1.00 31.21 H new ATOM 1425 N SER A 87 5.150 -2.995 10.509 1.00 1.13 N ATOM 1426 CA SER A 87 5.960 -3.358 11.691 1.00 21.41 C ATOM 1427 C SER A 87 5.152 -4.311 12.588 1.00 30.42 C ATOM 1428 O SER A 87 3.937 -4.159 12.718 1.00 61.51 O ATOM 1429 CB SER A 87 6.373 -2.094 12.485 1.00 52.43 C ATOM 1430 OG SER A 87 7.136 -2.425 13.639 1.00 62.44 O ATOM 0 H SER A 87 4.157 -2.889 10.717 1.00 1.13 H new ATOM 0 HA SER A 87 6.870 -3.857 11.357 1.00 21.41 H new ATOM 0 HB2 SER A 87 6.954 -1.433 11.841 1.00 52.43 H new ATOM 0 HB3 SER A 87 5.481 -1.544 12.784 1.00 52.43 H new ATOM 0 HG SER A 87 7.381 -1.604 14.115 1.00 62.44 H new ATOM 1436 N TYR A 88 5.829 -5.276 13.227 1.00 44.21 N ATOM 1437 CA TYR A 88 5.158 -6.324 14.029 1.00 72.43 C ATOM 1438 C TYR A 88 5.263 -6.016 15.542 1.00 71.11 C ATOM 1439 O TYR A 88 6.359 -5.978 16.104 1.00 41.30 O ATOM 1440 CB TYR A 88 5.749 -7.731 13.714 1.00 63.40 C ATOM 1441 CG TYR A 88 5.123 -8.874 14.545 1.00 22.50 C ATOM 1442 CD1 TYR A 88 3.733 -9.037 14.616 1.00 24.12 C ATOM 1443 CD2 TYR A 88 5.913 -9.776 15.267 1.00 5.42 C ATOM 1444 CE1 TYR A 88 3.165 -10.038 15.377 1.00 0.15 C ATOM 1445 CE2 TYR A 88 5.343 -10.784 16.024 1.00 71.23 C ATOM 1446 CZ TYR A 88 3.971 -10.910 16.076 1.00 64.22 C ATOM 1447 OH TYR A 88 3.407 -11.908 16.843 1.00 1.13 O ATOM 0 H TYR A 88 6.846 -5.357 13.207 1.00 44.21 H new ATOM 0 HA TYR A 88 4.103 -6.329 13.755 1.00 72.43 H new ATOM 0 HB2 TYR A 88 5.607 -7.945 12.655 1.00 63.40 H new ATOM 0 HB3 TYR A 88 6.824 -7.711 13.894 1.00 63.40 H new ATOM 0 HD1 TYR A 88 3.093 -8.365 14.064 1.00 24.12 H new ATOM 0 HD2 TYR A 88 6.988 -9.683 15.232 1.00 5.42 H new ATOM 0 HE1 TYR A 88 2.091 -10.138 15.425 1.00 0.15 H new ATOM 0 HE2 TYR A 88 5.971 -11.470 16.573 1.00 71.23 H new ATOM 0 HH TYR A 88 4.116 -12.434 17.268 1.00 1.13 H new ATOM 1457 N ASN A 89 4.102 -5.785 16.175 1.00 71.22 N ATOM 1458 CA ASN A 89 3.976 -5.705 17.638 1.00 51.34 C ATOM 1459 C ASN A 89 4.027 -7.146 18.213 1.00 32.01 C ATOM 1460 O ASN A 89 3.061 -7.899 18.086 1.00 24.42 O ATOM 1461 CB ASN A 89 2.645 -5.013 18.028 1.00 54.53 C ATOM 1462 CG ASN A 89 2.340 -3.759 17.213 1.00 33.54 C ATOM 1463 OD1 ASN A 89 2.837 -2.679 17.497 1.00 41.42 O ATOM 1464 ND2 ASN A 89 1.487 -3.896 16.219 1.00 11.30 N ATOM 0 H ASN A 89 3.219 -5.648 15.683 1.00 71.22 H new ATOM 0 HA ASN A 89 4.793 -5.113 18.050 1.00 51.34 H new ATOM 0 HB2 ASN A 89 1.827 -5.723 17.904 1.00 54.53 H new ATOM 0 HB3 ASN A 89 2.680 -4.748 19.085 1.00 54.53 H new ATOM 0 HD21 ASN A 89 1.222 -3.086 15.659 1.00 11.30 H new ATOM 0 HD22 ASN A 89 1.091 -4.812 16.009 1.00 11.30 H new ATOM 1471 N GLU A 90 5.161 -7.521 18.820 1.00 13.22 N ATOM 1472 CA GLU A 90 5.457 -8.928 19.183 1.00 52.24 C ATOM 1473 C GLU A 90 4.761 -9.392 20.498 1.00 34.04 C ATOM 1474 O GLU A 90 4.320 -10.547 20.601 1.00 11.42 O ATOM 1475 CB GLU A 90 6.996 -9.104 19.272 1.00 54.21 C ATOM 1476 CG GLU A 90 7.482 -10.547 19.514 1.00 44.03 C ATOM 1477 CD GLU A 90 9.017 -10.685 19.493 1.00 63.44 C ATOM 1478 OE1 GLU A 90 9.692 -10.030 20.319 1.00 14.45 O ATOM 1479 OE2 GLU A 90 9.560 -11.450 18.663 1.00 55.31 O ATOM 0 H GLU A 90 5.901 -6.867 19.075 1.00 13.22 H new ATOM 0 HA GLU A 90 5.046 -9.568 18.402 1.00 52.24 H new ATOM 0 HB2 GLU A 90 7.441 -8.739 18.346 1.00 54.21 H new ATOM 0 HB3 GLU A 90 7.371 -8.472 20.077 1.00 54.21 H new ATOM 0 HG2 GLU A 90 7.106 -10.893 20.477 1.00 44.03 H new ATOM 0 HG3 GLU A 90 7.055 -11.199 18.752 1.00 44.03 H new ATOM 1486 N LEU A 91 4.650 -8.485 21.483 1.00 11.41 N ATOM 1487 CA LEU A 91 4.100 -8.804 22.825 1.00 32.01 C ATOM 1488 C LEU A 91 2.554 -8.887 22.809 1.00 22.23 C ATOM 1489 O LEU A 91 1.960 -9.596 23.628 1.00 31.31 O ATOM 1490 CB LEU A 91 4.578 -7.751 23.861 1.00 30.34 C ATOM 1491 CG LEU A 91 6.128 -7.630 24.048 1.00 43.12 C ATOM 1492 CD1 LEU A 91 6.483 -6.497 25.036 1.00 71.55 C ATOM 1493 CD2 LEU A 91 6.744 -8.981 24.494 1.00 41.53 C ATOM 0 H LEU A 91 4.936 -7.511 21.379 1.00 11.41 H new ATOM 0 HA LEU A 91 4.475 -9.786 23.114 1.00 32.01 H new ATOM 0 HB2 LEU A 91 4.190 -6.776 23.565 1.00 30.34 H new ATOM 0 HB3 LEU A 91 4.133 -7.991 24.826 1.00 30.34 H new ATOM 0 HG LEU A 91 6.562 -7.373 23.082 1.00 43.12 H new ATOM 0 HD11 LEU A 91 7.566 -6.436 25.146 1.00 71.55 H new ATOM 0 HD12 LEU A 91 6.103 -5.549 24.654 1.00 71.55 H new ATOM 0 HD13 LEU A 91 6.031 -6.705 26.006 1.00 71.55 H new ATOM 0 HD21 LEU A 91 7.821 -8.867 24.616 1.00 41.53 H new ATOM 0 HD22 LEU A 91 6.302 -9.287 25.442 1.00 41.53 H new ATOM 0 HD23 LEU A 91 6.543 -9.740 23.738 1.00 41.53 H new ATOM 1505 N THR A 92 1.915 -8.163 21.869 1.00 55.23 N ATOM 1506 CA THR A 92 0.431 -8.150 21.722 1.00 10.14 C ATOM 1507 C THR A 92 -0.030 -8.963 20.485 1.00 24.14 C ATOM 1508 O THR A 92 -1.169 -9.435 20.434 1.00 3.51 O ATOM 1509 CB THR A 92 -0.142 -6.683 21.674 1.00 13.55 C ATOM 1510 OG1 THR A 92 -1.537 -6.686 21.320 1.00 2.44 O ATOM 1511 CG2 THR A 92 0.632 -5.776 20.710 1.00 73.21 C ATOM 0 H THR A 92 2.400 -7.573 21.192 1.00 55.23 H new ATOM 0 HA THR A 92 0.025 -8.634 22.610 1.00 10.14 H new ATOM 0 HB THR A 92 -0.022 -6.277 22.678 1.00 13.55 H new ATOM 0 HG1 THR A 92 -1.871 -5.765 21.298 1.00 2.44 H new ATOM 0 HG21 THR A 92 0.193 -4.778 20.718 1.00 73.21 H new ATOM 0 HG22 THR A 92 1.674 -5.717 21.024 1.00 73.21 H new ATOM 0 HG23 THR A 92 0.580 -6.187 19.702 1.00 73.21 H new ATOM 1519 N GLY A 93 0.870 -9.126 19.500 1.00 41.33 N ATOM 1520 CA GLY A 93 0.629 -10.007 18.341 1.00 32.52 C ATOM 1521 C GLY A 93 -0.279 -9.396 17.264 1.00 62.11 C ATOM 1522 O GLY A 93 -1.428 -9.815 17.115 1.00 55.40 O ATOM 0 H GLY A 93 1.776 -8.657 19.483 1.00 41.33 H new ATOM 0 HA2 GLY A 93 1.587 -10.265 17.889 1.00 32.52 H new ATOM 0 HA3 GLY A 93 0.182 -10.937 18.692 1.00 32.52 H new ATOM 1526 N ASP A 94 0.241 -8.384 16.538 1.00 21.12 N ATOM 1527 CA ASP A 94 -0.434 -7.767 15.361 1.00 12.54 C ATOM 1528 C ASP A 94 0.549 -6.881 14.566 1.00 64.22 C ATOM 1529 O ASP A 94 1.660 -6.616 15.022 1.00 44.03 O ATOM 1530 CB ASP A 94 -1.698 -6.953 15.780 1.00 13.31 C ATOM 1531 CG ASP A 94 -1.395 -5.820 16.772 1.00 43.30 C ATOM 1532 OD1 ASP A 94 -1.262 -6.103 17.986 1.00 10.31 O ATOM 1533 OD2 ASP A 94 -1.297 -4.648 16.348 1.00 44.21 O ATOM 0 H ASP A 94 1.147 -7.964 16.748 1.00 21.12 H new ATOM 0 HA ASP A 94 -0.767 -8.579 14.714 1.00 12.54 H new ATOM 0 HB2 ASP A 94 -2.161 -6.530 14.888 1.00 13.31 H new ATOM 0 HB3 ASP A 94 -2.426 -7.631 16.226 1.00 13.31 H new ATOM 1538 N TYR A 95 0.136 -6.432 13.372 1.00 14.23 N ATOM 1539 CA TYR A 95 0.946 -5.525 12.519 1.00 63.44 C ATOM 1540 C TYR A 95 0.374 -4.089 12.507 1.00 72.43 C ATOM 1541 O TYR A 95 -0.823 -3.886 12.290 1.00 20.15 O ATOM 1542 CB TYR A 95 1.032 -6.070 11.054 1.00 33.41 C ATOM 1543 CG TYR A 95 2.148 -7.106 10.816 1.00 13.02 C ATOM 1544 CD1 TYR A 95 2.029 -8.429 11.246 1.00 74.12 C ATOM 1545 CD2 TYR A 95 3.331 -6.742 10.160 1.00 65.51 C ATOM 1546 CE1 TYR A 95 3.047 -9.345 11.030 1.00 42.13 C ATOM 1547 CE2 TYR A 95 4.346 -7.652 9.941 1.00 61.21 C ATOM 1548 CZ TYR A 95 4.204 -8.951 10.379 1.00 44.02 C ATOM 1549 OH TYR A 95 5.223 -9.862 10.164 1.00 11.21 O ATOM 0 H TYR A 95 -0.765 -6.682 12.964 1.00 14.23 H new ATOM 0 HA TYR A 95 1.947 -5.490 12.949 1.00 63.44 H new ATOM 0 HB2 TYR A 95 0.075 -6.521 10.792 1.00 33.41 H new ATOM 0 HB3 TYR A 95 1.185 -5.230 10.377 1.00 33.41 H new ATOM 0 HD1 TYR A 95 1.130 -8.744 11.755 1.00 74.12 H new ATOM 0 HD2 TYR A 95 3.452 -5.725 9.817 1.00 65.51 H new ATOM 0 HE1 TYR A 95 2.938 -10.365 11.369 1.00 42.13 H new ATOM 0 HE2 TYR A 95 5.247 -7.347 9.429 1.00 61.21 H new ATOM 0 HH TYR A 95 5.961 -9.422 9.693 1.00 11.21 H new ATOM 1559 N VAL A 96 1.265 -3.104 12.741 1.00 45.02 N ATOM 1560 CA VAL A 96 1.030 -1.689 12.403 1.00 60.24 C ATOM 1561 C VAL A 96 1.286 -1.495 10.890 1.00 2.12 C ATOM 1562 O VAL A 96 2.430 -1.577 10.433 1.00 12.14 O ATOM 1563 CB VAL A 96 1.966 -0.726 13.236 1.00 55.22 C ATOM 1564 CG1 VAL A 96 1.825 0.744 12.771 1.00 33.20 C ATOM 1565 CG2 VAL A 96 1.679 -0.849 14.751 1.00 4.23 C ATOM 0 H VAL A 96 2.174 -3.271 13.173 1.00 45.02 H new ATOM 0 HA VAL A 96 -0.001 -1.436 12.652 1.00 60.24 H new ATOM 0 HB VAL A 96 2.996 -1.035 13.056 1.00 55.22 H new ATOM 0 HG11 VAL A 96 2.483 1.378 13.365 1.00 33.20 H new ATOM 0 HG12 VAL A 96 2.100 0.821 11.719 1.00 33.20 H new ATOM 0 HG13 VAL A 96 0.793 1.069 12.901 1.00 33.20 H new ATOM 0 HG21 VAL A 96 2.336 -0.176 15.302 1.00 4.23 H new ATOM 0 HG22 VAL A 96 0.640 -0.583 14.947 1.00 4.23 H new ATOM 0 HG23 VAL A 96 1.858 -1.875 15.073 1.00 4.23 H new ATOM 1575 N LEU A 97 0.210 -1.290 10.122 1.00 53.14 N ATOM 1576 CA LEU A 97 0.267 -1.160 8.654 1.00 65.01 C ATOM 1577 C LEU A 97 0.095 0.318 8.240 1.00 13.53 C ATOM 1578 O LEU A 97 -0.998 0.870 8.329 1.00 3.20 O ATOM 1579 CB LEU A 97 -0.846 -2.042 8.030 1.00 2.41 C ATOM 1580 CG LEU A 97 -0.801 -2.212 6.487 1.00 42.51 C ATOM 1581 CD1 LEU A 97 0.525 -2.876 6.040 1.00 25.23 C ATOM 1582 CD2 LEU A 97 -2.035 -2.999 5.979 1.00 45.14 C ATOM 0 H LEU A 97 -0.734 -1.208 10.500 1.00 53.14 H new ATOM 0 HA LEU A 97 1.238 -1.496 8.290 1.00 65.01 H new ATOM 0 HB2 LEU A 97 -0.795 -3.031 8.485 1.00 2.41 H new ATOM 0 HB3 LEU A 97 -1.812 -1.616 8.300 1.00 2.41 H new ATOM 0 HG LEU A 97 -0.838 -1.221 6.035 1.00 42.51 H new ATOM 0 HD11 LEU A 97 0.531 -2.983 4.955 1.00 25.23 H new ATOM 0 HD12 LEU A 97 1.365 -2.254 6.347 1.00 25.23 H new ATOM 0 HD13 LEU A 97 0.614 -3.859 6.502 1.00 25.23 H new ATOM 0 HD21 LEU A 97 -1.979 -3.104 4.896 1.00 45.14 H new ATOM 0 HD22 LEU A 97 -2.051 -3.987 6.439 1.00 45.14 H new ATOM 0 HD23 LEU A 97 -2.945 -2.460 6.245 1.00 45.14 H new ATOM 1594 N GLU A 98 1.176 0.931 7.753 1.00 33.03 N ATOM 1595 CA GLU A 98 1.225 2.383 7.455 1.00 13.53 C ATOM 1596 C GLU A 98 1.340 2.629 5.934 1.00 65.32 C ATOM 1597 O GLU A 98 2.390 2.390 5.327 1.00 72.03 O ATOM 1598 CB GLU A 98 2.422 3.031 8.237 1.00 24.54 C ATOM 1599 CG GLU A 98 2.068 3.667 9.602 1.00 40.13 C ATOM 1600 CD GLU A 98 1.548 5.113 9.472 1.00 35.03 C ATOM 1601 OE1 GLU A 98 0.327 5.324 9.319 1.00 43.43 O ATOM 1602 OE2 GLU A 98 2.375 6.053 9.505 1.00 32.22 O ATOM 0 H GLU A 98 2.048 0.443 7.550 1.00 33.03 H new ATOM 0 HA GLU A 98 0.298 2.852 7.784 1.00 13.53 H new ATOM 0 HB2 GLU A 98 3.182 2.266 8.400 1.00 24.54 H new ATOM 0 HB3 GLU A 98 2.871 3.798 7.606 1.00 24.54 H new ATOM 0 HG2 GLU A 98 1.312 3.057 10.096 1.00 40.13 H new ATOM 0 HG3 GLU A 98 2.951 3.660 10.241 1.00 40.13 H new ATOM 1609 N ILE A 99 0.236 3.088 5.324 1.00 44.22 N ATOM 1610 CA ILE A 99 0.218 3.554 3.923 1.00 71.11 C ATOM 1611 C ILE A 99 0.327 5.097 3.911 1.00 12.14 C ATOM 1612 O ILE A 99 -0.556 5.791 4.408 1.00 11.42 O ATOM 1613 CB ILE A 99 -1.090 3.070 3.142 1.00 71.10 C ATOM 1614 CG1 ILE A 99 -0.993 1.559 2.722 1.00 1.32 C ATOM 1615 CG2 ILE A 99 -1.392 3.951 1.891 1.00 14.30 C ATOM 1616 CD1 ILE A 99 -0.969 0.549 3.859 1.00 22.51 C ATOM 0 H ILE A 99 -0.671 3.148 5.786 1.00 44.22 H new ATOM 0 HA ILE A 99 1.068 3.116 3.400 1.00 71.11 H new ATOM 0 HB ILE A 99 -1.918 3.183 3.842 1.00 71.10 H new ATOM 0 HG12 ILE A 99 -1.839 1.328 2.075 1.00 1.32 H new ATOM 0 HG13 ILE A 99 -0.090 1.426 2.126 1.00 1.32 H new ATOM 0 HG21 ILE A 99 -2.290 3.582 1.394 1.00 14.30 H new ATOM 0 HG22 ILE A 99 -1.548 4.984 2.202 1.00 14.30 H new ATOM 0 HG23 ILE A 99 -0.550 3.903 1.201 1.00 14.30 H new ATOM 0 HD11 ILE A 99 -0.901 -0.459 3.449 1.00 22.51 H new ATOM 0 HD12 ILE A 99 -0.107 0.740 4.498 1.00 22.51 H new ATOM 0 HD13 ILE A 99 -1.883 0.641 4.446 1.00 22.51 H new ATOM 1628 N THR A 100 1.418 5.617 3.341 1.00 11.10 N ATOM 1629 CA THR A 100 1.601 7.065 3.132 1.00 24.32 C ATOM 1630 C THR A 100 1.035 7.435 1.748 1.00 43.32 C ATOM 1631 O THR A 100 1.652 7.166 0.718 1.00 4.12 O ATOM 1632 CB THR A 100 3.118 7.453 3.237 1.00 5.44 C ATOM 1633 OG1 THR A 100 3.588 7.214 4.575 1.00 10.33 O ATOM 1634 CG2 THR A 100 3.399 8.917 2.858 1.00 62.31 C ATOM 0 H THR A 100 2.200 5.052 3.011 1.00 11.10 H new ATOM 0 HA THR A 100 1.069 7.619 3.905 1.00 24.32 H new ATOM 0 HB THR A 100 3.649 6.827 2.520 1.00 5.44 H new ATOM 0 HG1 THR A 100 4.536 7.456 4.637 1.00 10.33 H new ATOM 0 HG21 THR A 100 4.466 9.119 2.952 1.00 62.31 H new ATOM 0 HG22 THR A 100 3.086 9.093 1.829 1.00 62.31 H new ATOM 0 HG23 THR A 100 2.845 9.578 3.524 1.00 62.31 H new ATOM 1642 N ASP A 101 -0.184 7.991 1.752 1.00 4.40 N ATOM 1643 CA ASP A 101 -0.914 8.386 0.533 1.00 23.41 C ATOM 1644 C ASP A 101 -0.812 9.917 0.303 1.00 22.30 C ATOM 1645 O ASP A 101 -0.543 10.675 1.227 1.00 53.11 O ATOM 1646 CB ASP A 101 -2.391 7.932 0.675 1.00 42.52 C ATOM 1647 CG ASP A 101 -3.237 8.230 -0.573 1.00 30.13 C ATOM 1648 OD1 ASP A 101 -3.080 7.513 -1.587 1.00 30.12 O ATOM 1649 OD2 ASP A 101 -4.033 9.194 -0.558 1.00 50.24 O ATOM 0 H ASP A 101 -0.700 8.183 2.611 1.00 4.40 H new ATOM 0 HA ASP A 101 -0.471 7.903 -0.338 1.00 23.41 H new ATOM 0 HB2 ASP A 101 -2.418 6.861 0.877 1.00 42.52 H new ATOM 0 HB3 ASP A 101 -2.837 8.430 1.536 1.00 42.52 H new ATOM 1654 N PHE A 102 -0.992 10.351 -0.953 1.00 15.02 N ATOM 1655 CA PHE A 102 -1.006 11.783 -1.322 1.00 23.41 C ATOM 1656 C PHE A 102 -2.330 12.147 -2.048 1.00 74.40 C ATOM 1657 O PHE A 102 -2.658 11.583 -3.094 1.00 21.43 O ATOM 1658 CB PHE A 102 0.253 12.113 -2.193 1.00 34.11 C ATOM 1659 CG PHE A 102 0.352 11.392 -3.559 1.00 51.44 C ATOM 1660 CD1 PHE A 102 0.411 10.003 -3.642 1.00 12.33 C ATOM 1661 CD2 PHE A 102 0.387 12.110 -4.757 1.00 54.33 C ATOM 1662 CE1 PHE A 102 0.487 9.361 -4.864 1.00 62.31 C ATOM 1663 CE2 PHE A 102 0.466 11.467 -5.978 1.00 12.34 C ATOM 1664 CZ PHE A 102 0.516 10.090 -6.029 1.00 1.10 C ATOM 0 H PHE A 102 -1.132 9.723 -1.745 1.00 15.02 H new ATOM 0 HA PHE A 102 -0.961 12.393 -0.420 1.00 23.41 H new ATOM 0 HB2 PHE A 102 0.273 13.188 -2.372 1.00 34.11 H new ATOM 0 HB3 PHE A 102 1.143 11.870 -1.613 1.00 34.11 H new ATOM 0 HD1 PHE A 102 0.397 9.417 -2.735 1.00 12.33 H new ATOM 0 HD2 PHE A 102 0.352 13.189 -4.728 1.00 54.33 H new ATOM 0 HE1 PHE A 102 0.524 8.282 -4.903 1.00 62.31 H new ATOM 0 HE2 PHE A 102 0.489 12.043 -6.891 1.00 12.34 H new ATOM 0 HZ PHE A 102 0.578 9.585 -6.982 1.00 1.10 H new ATOM 1674 N SER A 103 -3.090 13.100 -1.468 1.00 53.34 N ATOM 1675 CA SER A 103 -4.374 13.592 -2.038 1.00 40.44 C ATOM 1676 C SER A 103 -4.616 15.063 -1.641 1.00 4.04 C ATOM 1677 O SER A 103 -4.473 15.410 -0.464 1.00 44.00 O ATOM 1678 CB SER A 103 -5.567 12.723 -1.555 1.00 64.25 C ATOM 1679 OG SER A 103 -5.464 11.390 -2.026 1.00 11.33 O ATOM 0 H SER A 103 -2.835 13.554 -0.591 1.00 53.34 H new ATOM 0 HA SER A 103 -4.303 13.520 -3.123 1.00 40.44 H new ATOM 0 HB2 SER A 103 -5.601 12.723 -0.466 1.00 64.25 H new ATOM 0 HB3 SER A 103 -6.502 13.162 -1.903 1.00 64.25 H new ATOM 0 HG SER A 103 -4.953 10.855 -1.384 1.00 11.33 H new ATOM 1685 N GLU A 104 -4.974 15.926 -2.631 1.00 12.32 N ATOM 1686 CA GLU A 104 -5.314 17.363 -2.386 1.00 65.43 C ATOM 1687 C GLU A 104 -6.480 17.506 -1.366 1.00 65.40 C ATOM 1688 O GLU A 104 -7.249 16.566 -1.167 1.00 12.45 O ATOM 1689 CB GLU A 104 -5.716 18.078 -3.714 1.00 63.40 C ATOM 1690 CG GLU A 104 -4.562 18.364 -4.683 1.00 12.04 C ATOM 1691 CD GLU A 104 -5.031 18.853 -6.065 1.00 41.30 C ATOM 1692 OE1 GLU A 104 -5.249 20.073 -6.243 1.00 71.12 O ATOM 1693 OE2 GLU A 104 -5.197 18.012 -6.976 1.00 52.05 O ATOM 0 H GLU A 104 -5.036 15.653 -3.612 1.00 12.32 H new ATOM 0 HA GLU A 104 -4.420 17.833 -1.975 1.00 65.43 H new ATOM 0 HB2 GLU A 104 -6.456 17.464 -4.228 1.00 63.40 H new ATOM 0 HB3 GLU A 104 -6.202 19.022 -3.466 1.00 63.40 H new ATOM 0 HG2 GLU A 104 -3.906 19.115 -4.243 1.00 12.04 H new ATOM 0 HG3 GLU A 104 -3.970 17.458 -4.808 1.00 12.04 H new ATOM 1700 N ALA A 105 -6.615 18.702 -0.764 1.00 13.02 N ATOM 1701 CA ALA A 105 -7.653 18.996 0.265 1.00 13.34 C ATOM 1702 C ALA A 105 -9.103 18.606 -0.174 1.00 12.15 C ATOM 1703 O ALA A 105 -9.843 17.986 0.592 1.00 52.52 O ATOM 1704 CB ALA A 105 -7.596 20.487 0.627 1.00 44.24 C ATOM 0 H ALA A 105 -6.012 19.498 -0.971 1.00 13.02 H new ATOM 0 HA ALA A 105 -7.425 18.377 1.133 1.00 13.34 H new ATOM 0 HB1 ALA A 105 -8.353 20.708 1.379 1.00 44.24 H new ATOM 0 HB2 ALA A 105 -6.610 20.728 1.023 1.00 44.24 H new ATOM 0 HB3 ALA A 105 -7.785 21.085 -0.264 1.00 44.24 H new ATOM 1710 N ASP A 106 -9.470 18.948 -1.427 1.00 64.10 N ATOM 1711 CA ASP A 106 -10.839 18.735 -1.968 1.00 45.00 C ATOM 1712 C ASP A 106 -11.144 17.234 -2.273 1.00 12.34 C ATOM 1713 O ASP A 106 -12.300 16.804 -2.210 1.00 33.23 O ATOM 1714 CB ASP A 106 -11.023 19.612 -3.235 1.00 73.22 C ATOM 1715 CG ASP A 106 -12.450 19.556 -3.817 1.00 64.34 C ATOM 1716 OD1 ASP A 106 -13.380 20.090 -3.182 1.00 4.30 O ATOM 1717 OD2 ASP A 106 -12.643 18.999 -4.917 1.00 14.11 O ATOM 0 H ASP A 106 -8.831 19.379 -2.095 1.00 64.10 H new ATOM 0 HA ASP A 106 -11.555 19.034 -1.203 1.00 45.00 H new ATOM 0 HB2 ASP A 106 -10.779 20.646 -2.991 1.00 73.22 H new ATOM 0 HB3 ASP A 106 -10.315 19.289 -3.998 1.00 73.22 H new ATOM 1722 N GLU A 107 -10.104 16.450 -2.592 1.00 22.02 N ATOM 1723 CA GLU A 107 -10.246 15.007 -2.951 1.00 22.51 C ATOM 1724 C GLU A 107 -9.893 14.081 -1.754 1.00 4.54 C ATOM 1725 O GLU A 107 -10.113 12.865 -1.812 1.00 61.31 O ATOM 1726 CB GLU A 107 -9.342 14.684 -4.174 1.00 75.33 C ATOM 1727 CG GLU A 107 -7.849 14.951 -3.914 1.00 0.52 C ATOM 1728 CD GLU A 107 -6.948 14.826 -5.148 1.00 72.03 C ATOM 1729 OE1 GLU A 107 -7.029 15.692 -6.045 1.00 24.33 O ATOM 1730 OE2 GLU A 107 -6.135 13.884 -5.217 1.00 15.30 O ATOM 0 H GLU A 107 -9.140 16.784 -2.612 1.00 22.02 H new ATOM 0 HA GLU A 107 -11.288 14.820 -3.209 1.00 22.51 H new ATOM 0 HB2 GLU A 107 -9.474 13.638 -4.449 1.00 75.33 H new ATOM 0 HB3 GLU A 107 -9.668 15.281 -5.026 1.00 75.33 H new ATOM 0 HG2 GLU A 107 -7.740 15.955 -3.503 1.00 0.52 H new ATOM 0 HG3 GLU A 107 -7.497 14.255 -3.153 1.00 0.52 H new ATOM 1737 N ALA A 108 -9.364 14.677 -0.667 1.00 3.41 N ATOM 1738 CA ALA A 108 -8.898 13.936 0.532 1.00 10.13 C ATOM 1739 C ALA A 108 -10.074 13.404 1.381 1.00 54.30 C ATOM 1740 O ALA A 108 -9.907 12.437 2.121 1.00 61.14 O ATOM 1741 CB ALA A 108 -7.985 14.828 1.382 1.00 61.31 C ATOM 0 H ALA A 108 -9.246 15.687 -0.591 1.00 3.41 H new ATOM 0 HA ALA A 108 -8.334 13.071 0.184 1.00 10.13 H new ATOM 0 HB1 ALA A 108 -7.649 14.274 2.259 1.00 61.31 H new ATOM 0 HB2 ALA A 108 -7.121 15.132 0.791 1.00 61.31 H new ATOM 0 HB3 ALA A 108 -8.535 15.713 1.701 1.00 61.31 H new ATOM 1747 N ASP A 109 -11.247 14.067 1.274 1.00 61.12 N ATOM 1748 CA ASP A 109 -12.499 13.682 1.991 1.00 64.02 C ATOM 1749 C ASP A 109 -12.864 12.191 1.769 1.00 61.45 C ATOM 1750 O ASP A 109 -13.286 11.501 2.700 1.00 22.52 O ATOM 1751 CB ASP A 109 -13.672 14.566 1.505 1.00 30.53 C ATOM 1752 CG ASP A 109 -13.393 16.065 1.685 1.00 54.43 C ATOM 1753 OD1 ASP A 109 -12.751 16.667 0.799 1.00 14.31 O ATOM 1754 OD2 ASP A 109 -13.789 16.643 2.722 1.00 31.04 O ATOM 0 H ASP A 109 -11.360 14.892 0.685 1.00 61.12 H new ATOM 0 HA ASP A 109 -12.323 13.832 3.056 1.00 64.02 H new ATOM 0 HB2 ASP A 109 -13.866 14.360 0.452 1.00 30.53 H new ATOM 0 HB3 ASP A 109 -14.575 14.299 2.054 1.00 30.53 H new ATOM 1759 N ASP A 110 -12.676 11.727 0.518 1.00 3.22 N ATOM 1760 CA ASP A 110 -12.949 10.329 0.092 1.00 72.01 C ATOM 1761 C ASP A 110 -11.932 9.333 0.697 1.00 55.03 C ATOM 1762 O ASP A 110 -12.284 8.212 1.064 1.00 12.42 O ATOM 1763 CB ASP A 110 -12.921 10.248 -1.451 1.00 55.21 C ATOM 1764 CG ASP A 110 -13.882 11.253 -2.095 1.00 4.24 C ATOM 1765 OD1 ASP A 110 -15.076 10.921 -2.273 1.00 74.31 O ATOM 1766 OD2 ASP A 110 -13.453 12.389 -2.403 1.00 24.22 O ATOM 0 H ASP A 110 -12.326 12.315 -0.239 1.00 3.22 H new ATOM 0 HA ASP A 110 -13.936 10.049 0.460 1.00 72.01 H new ATOM 0 HB2 ASP A 110 -11.908 10.436 -1.806 1.00 55.21 H new ATOM 0 HB3 ASP A 110 -13.187 9.239 -1.766 1.00 55.21 H new ATOM 1771 N LEU A 111 -10.667 9.769 0.783 1.00 50.22 N ATOM 1772 CA LEU A 111 -9.564 8.984 1.397 1.00 31.04 C ATOM 1773 C LEU A 111 -9.747 8.850 2.926 1.00 4.42 C ATOM 1774 O LEU A 111 -9.470 7.800 3.515 1.00 31.45 O ATOM 1775 CB LEU A 111 -8.191 9.650 1.063 1.00 71.33 C ATOM 1776 CG LEU A 111 -7.587 9.348 -0.349 1.00 70.35 C ATOM 1777 CD1 LEU A 111 -7.349 7.835 -0.545 1.00 33.41 C ATOM 1778 CD2 LEU A 111 -8.460 9.931 -1.482 1.00 34.21 C ATOM 0 H LEU A 111 -10.370 10.679 0.430 1.00 50.22 H new ATOM 0 HA LEU A 111 -9.586 7.978 0.977 1.00 31.04 H new ATOM 0 HB2 LEU A 111 -8.304 10.730 1.161 1.00 71.33 H new ATOM 0 HB3 LEU A 111 -7.468 9.336 1.816 1.00 71.33 H new ATOM 0 HG LEU A 111 -6.619 9.846 -0.400 1.00 70.35 H new ATOM 0 HD11 LEU A 111 -6.929 7.658 -1.535 1.00 33.41 H new ATOM 0 HD12 LEU A 111 -6.654 7.475 0.214 1.00 33.41 H new ATOM 0 HD13 LEU A 111 -8.296 7.303 -0.452 1.00 33.41 H new ATOM 0 HD21 LEU A 111 -8.007 9.700 -2.446 1.00 34.21 H new ATOM 0 HD22 LEU A 111 -9.457 9.493 -1.435 1.00 34.21 H new ATOM 0 HD23 LEU A 111 -8.533 11.012 -1.365 1.00 34.21 H new ATOM 1790 N LYS A 112 -10.210 9.936 3.549 1.00 73.20 N ATOM 1791 CA LYS A 112 -10.546 9.967 4.983 1.00 53.51 C ATOM 1792 C LYS A 112 -11.808 9.121 5.271 1.00 0.42 C ATOM 1793 O LYS A 112 -11.890 8.468 6.303 1.00 54.33 O ATOM 1794 CB LYS A 112 -10.744 11.434 5.446 1.00 25.10 C ATOM 1795 CG LYS A 112 -9.477 12.319 5.343 1.00 11.03 C ATOM 1796 CD LYS A 112 -8.322 11.839 6.256 1.00 73.44 C ATOM 1797 CE LYS A 112 -7.063 12.720 6.135 1.00 53.40 C ATOM 1798 NZ LYS A 112 -7.320 14.143 6.504 1.00 35.30 N ATOM 0 H LYS A 112 -10.365 10.826 3.075 1.00 73.20 H new ATOM 0 HA LYS A 112 -9.721 9.531 5.546 1.00 53.51 H new ATOM 0 HB2 LYS A 112 -11.536 11.886 4.849 1.00 25.10 H new ATOM 0 HB3 LYS A 112 -11.086 11.432 6.481 1.00 25.10 H new ATOM 0 HG2 LYS A 112 -9.133 12.331 4.309 1.00 11.03 H new ATOM 0 HG3 LYS A 112 -9.736 13.345 5.605 1.00 11.03 H new ATOM 0 HD2 LYS A 112 -8.660 11.836 7.292 1.00 73.44 H new ATOM 0 HD3 LYS A 112 -8.067 10.810 6.001 1.00 73.44 H new ATOM 0 HE2 LYS A 112 -6.280 12.318 6.777 1.00 53.40 H new ATOM 0 HE3 LYS A 112 -6.690 12.676 5.112 1.00 53.40 H new ATOM 0 HZ1 LYS A 112 -6.421 14.665 6.520 1.00 35.30 H new ATOM 0 HZ2 LYS A 112 -7.958 14.573 5.804 1.00 35.30 H new ATOM 0 HZ3 LYS A 112 -7.761 14.183 7.445 1.00 35.30 H new ATOM 1812 N GLU A 113 -12.771 9.138 4.327 1.00 41.04 N ATOM 1813 CA GLU A 113 -14.003 8.308 4.392 1.00 35.31 C ATOM 1814 C GLU A 113 -13.636 6.805 4.283 1.00 22.21 C ATOM 1815 O GLU A 113 -14.214 5.961 4.966 1.00 45.52 O ATOM 1816 CB GLU A 113 -14.984 8.748 3.257 1.00 40.41 C ATOM 1817 CG GLU A 113 -16.451 8.233 3.346 1.00 60.13 C ATOM 1818 CD GLU A 113 -16.650 6.753 2.955 1.00 2.52 C ATOM 1819 OE1 GLU A 113 -16.536 6.431 1.753 1.00 21.23 O ATOM 1820 OE2 GLU A 113 -16.917 5.914 3.841 1.00 71.13 O ATOM 0 H GLU A 113 -12.721 9.726 3.495 1.00 41.04 H new ATOM 0 HA GLU A 113 -14.502 8.456 5.350 1.00 35.31 H new ATOM 0 HB2 GLU A 113 -15.009 9.838 3.235 1.00 40.41 H new ATOM 0 HB3 GLU A 113 -14.568 8.420 2.305 1.00 40.41 H new ATOM 0 HG2 GLU A 113 -16.808 8.374 4.366 1.00 60.13 H new ATOM 0 HG3 GLU A 113 -17.076 8.850 2.701 1.00 60.13 H new ATOM 1827 N LEU A 114 -12.650 6.502 3.419 1.00 13.55 N ATOM 1828 CA LEU A 114 -12.086 5.139 3.260 1.00 34.40 C ATOM 1829 C LEU A 114 -11.468 4.655 4.598 1.00 22.44 C ATOM 1830 O LEU A 114 -11.636 3.498 4.993 1.00 74.44 O ATOM 1831 CB LEU A 114 -11.026 5.147 2.123 1.00 2.40 C ATOM 1832 CG LEU A 114 -10.425 3.762 1.714 1.00 75.24 C ATOM 1833 CD1 LEU A 114 -11.516 2.810 1.166 1.00 71.24 C ATOM 1834 CD2 LEU A 114 -9.263 3.930 0.703 1.00 25.41 C ATOM 0 H LEU A 114 -12.217 7.194 2.807 1.00 13.55 H new ATOM 0 HA LEU A 114 -12.881 4.444 2.989 1.00 34.40 H new ATOM 0 HB2 LEU A 114 -11.479 5.596 1.239 1.00 2.40 H new ATOM 0 HB3 LEU A 114 -10.206 5.798 2.427 1.00 2.40 H new ATOM 0 HG LEU A 114 -10.015 3.304 2.614 1.00 75.24 H new ATOM 0 HD11 LEU A 114 -11.063 1.857 0.892 1.00 71.24 H new ATOM 0 HD12 LEU A 114 -12.273 2.645 1.933 1.00 71.24 H new ATOM 0 HD13 LEU A 114 -11.981 3.257 0.287 1.00 71.24 H new ATOM 0 HD21 LEU A 114 -8.866 2.950 0.438 1.00 25.41 H new ATOM 0 HD22 LEU A 114 -9.631 4.427 -0.195 1.00 25.41 H new ATOM 0 HD23 LEU A 114 -8.473 4.531 1.153 1.00 25.41 H new ATOM 1846 N TRP A 115 -10.793 5.584 5.306 1.00 52.13 N ATOM 1847 CA TRP A 115 -10.292 5.342 6.675 1.00 71.03 C ATOM 1848 C TRP A 115 -11.469 5.142 7.671 1.00 12.11 C ATOM 1849 O TRP A 115 -11.400 4.266 8.522 1.00 11.54 O ATOM 1850 CB TRP A 115 -9.348 6.492 7.144 1.00 61.33 C ATOM 1851 CG TRP A 115 -8.986 6.450 8.625 1.00 71.31 C ATOM 1852 CD1 TRP A 115 -9.198 7.436 9.551 1.00 1.13 C ATOM 1853 CD2 TRP A 115 -8.396 5.351 9.355 1.00 70.30 C ATOM 1854 NE1 TRP A 115 -8.764 7.033 10.786 1.00 12.13 N ATOM 1855 CE2 TRP A 115 -8.273 5.762 10.695 1.00 0.43 C ATOM 1856 CE3 TRP A 115 -7.956 4.068 9.005 1.00 52.40 C ATOM 1857 CZ2 TRP A 115 -7.742 4.942 11.683 1.00 53.22 C ATOM 1858 CZ3 TRP A 115 -7.430 3.255 9.988 1.00 31.50 C ATOM 1859 CH2 TRP A 115 -7.327 3.697 11.314 1.00 23.03 C ATOM 0 H TRP A 115 -10.581 6.516 4.949 1.00 52.13 H new ATOM 0 HA TRP A 115 -9.707 4.422 6.657 1.00 71.03 H new ATOM 0 HB2 TRP A 115 -8.430 6.453 6.558 1.00 61.33 H new ATOM 0 HB3 TRP A 115 -9.825 7.448 6.927 1.00 61.33 H new ATOM 0 HD1 TRP A 115 -9.644 8.396 9.338 1.00 1.13 H new ATOM 0 HE1 TRP A 115 -8.802 7.593 11.638 1.00 12.13 H new ATOM 0 HE3 TRP A 115 -8.027 3.722 7.985 1.00 52.40 H new ATOM 0 HZ2 TRP A 115 -7.661 5.279 12.706 1.00 53.22 H new ATOM 0 HZ3 TRP A 115 -7.092 2.262 9.731 1.00 31.50 H new ATOM 0 HH2 TRP A 115 -6.910 3.037 12.060 1.00 23.03 H new ATOM 1870 N ASP A 116 -12.543 5.947 7.545 1.00 74.01 N ATOM 1871 CA ASP A 116 -13.752 5.831 8.407 1.00 73.02 C ATOM 1872 C ASP A 116 -14.466 4.475 8.198 1.00 51.34 C ATOM 1873 O ASP A 116 -15.118 3.964 9.110 1.00 21.20 O ATOM 1874 CB ASP A 116 -14.728 7.009 8.155 1.00 72.30 C ATOM 1875 CG ASP A 116 -14.129 8.378 8.524 1.00 1.25 C ATOM 1876 OD1 ASP A 116 -13.465 8.480 9.581 1.00 23.44 O ATOM 1877 OD2 ASP A 116 -14.320 9.359 7.772 1.00 53.01 O ATOM 0 H ASP A 116 -12.604 6.692 6.851 1.00 74.01 H new ATOM 0 HA ASP A 116 -13.421 5.877 9.445 1.00 73.02 H new ATOM 0 HB2 ASP A 116 -15.016 7.016 7.104 1.00 72.30 H new ATOM 0 HB3 ASP A 116 -15.638 6.849 8.733 1.00 72.30 H new ATOM 1882 N SER A 117 -14.325 3.916 6.982 1.00 70.40 N ATOM 1883 CA SER A 117 -14.808 2.557 6.648 1.00 41.13 C ATOM 1884 C SER A 117 -13.936 1.484 7.336 1.00 70.21 C ATOM 1885 O SER A 117 -14.454 0.568 7.964 1.00 71.25 O ATOM 1886 CB SER A 117 -14.811 2.340 5.113 1.00 64.24 C ATOM 1887 OG SER A 117 -15.675 3.263 4.469 1.00 65.22 O ATOM 0 H SER A 117 -13.873 4.391 6.201 1.00 70.40 H new ATOM 0 HA SER A 117 -15.830 2.461 7.015 1.00 41.13 H new ATOM 0 HB2 SER A 117 -13.799 2.453 4.725 1.00 64.24 H new ATOM 0 HB3 SER A 117 -15.128 1.322 4.887 1.00 64.24 H new ATOM 0 HG SER A 117 -15.313 4.169 4.561 1.00 65.22 H new ATOM 1893 N GLN A 118 -12.602 1.634 7.235 1.00 32.15 N ATOM 1894 CA GLN A 118 -11.626 0.657 7.790 1.00 62.13 C ATOM 1895 C GLN A 118 -11.607 0.641 9.341 1.00 42.31 C ATOM 1896 O GLN A 118 -11.528 -0.429 9.934 1.00 32.21 O ATOM 1897 CB GLN A 118 -10.194 0.909 7.211 1.00 44.50 C ATOM 1898 CG GLN A 118 -9.848 0.076 5.949 1.00 1.45 C ATOM 1899 CD GLN A 118 -10.800 0.290 4.771 1.00 2.03 C ATOM 1900 OE1 GLN A 118 -10.577 1.132 3.918 1.00 0.43 O ATOM 1901 NE2 GLN A 118 -11.878 -0.470 4.729 1.00 44.44 N ATOM 0 H GLN A 118 -12.165 2.430 6.770 1.00 32.15 H new ATOM 0 HA GLN A 118 -11.959 -0.332 7.475 1.00 62.13 H new ATOM 0 HB2 GLN A 118 -10.096 1.967 6.969 1.00 44.50 H new ATOM 0 HB3 GLN A 118 -9.460 0.690 7.986 1.00 44.50 H new ATOM 0 HG2 GLN A 118 -8.835 0.323 5.632 1.00 1.45 H new ATOM 0 HG3 GLN A 118 -9.850 -0.981 6.214 1.00 1.45 H new ATOM 0 HE21 GLN A 118 -12.039 -1.167 5.456 1.00 44.44 H new ATOM 0 HE22 GLN A 118 -12.550 -0.361 3.969 1.00 44.44 H new ATOM 1910 N VAL A 119 -11.698 1.819 9.981 1.00 22.41 N ATOM 1911 CA VAL A 119 -11.624 1.934 11.456 1.00 61.14 C ATOM 1912 C VAL A 119 -12.925 1.415 12.127 1.00 25.33 C ATOM 1913 O VAL A 119 -12.872 0.794 13.189 1.00 43.31 O ATOM 1914 CB VAL A 119 -11.295 3.410 11.913 1.00 41.34 C ATOM 1915 CG1 VAL A 119 -12.447 4.397 11.602 1.00 64.10 C ATOM 1916 CG2 VAL A 119 -10.897 3.469 13.412 1.00 4.24 C ATOM 0 H VAL A 119 -11.823 2.711 9.502 1.00 22.41 H new ATOM 0 HA VAL A 119 -10.801 1.301 11.788 1.00 61.14 H new ATOM 0 HB VAL A 119 -10.435 3.730 11.325 1.00 41.34 H new ATOM 0 HG11 VAL A 119 -12.170 5.397 11.936 1.00 64.10 H new ATOM 0 HG12 VAL A 119 -12.633 4.412 10.528 1.00 64.10 H new ATOM 0 HG13 VAL A 119 -13.350 4.078 12.123 1.00 64.10 H new ATOM 0 HG21 VAL A 119 -10.678 4.500 13.690 1.00 4.24 H new ATOM 0 HG22 VAL A 119 -11.720 3.096 14.022 1.00 4.24 H new ATOM 0 HG23 VAL A 119 -10.013 2.853 13.578 1.00 4.24 H new