USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 696 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 43 THR OG1 : rot -139:sc= 0.859 USER MOD Set 1.2: A 46 ASN : amide:sc= 0.985 K(o=1.8,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -1.32 (180deg=-3.65!) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 1.25 (180deg=-0.301) USER MOD Single : A 42 MET CE :methyl 162:sc= -0.103 (180deg=-0.546) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0238) USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= 0.2 (180deg=-0.478) USER MOD Single : A 59 ASN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.0212 (180deg=-0.189) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 66 MET CE :methyl -139:sc= 0 (180deg=-0.556) USER MOD Single : A 67 THR OG1 : rot -76:sc= 0.34 USER MOD Single : A 72 SER OG : rot 74:sc= 1.11 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -131:sc= 0.692 USER MOD Single : A 86 THR OG1 : rot -14:sc= 0.545 USER MOD Single : A 87 LYS NZ :NH3+ 142:sc= 0.454 (180deg=0.018) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 141:sc= 2.34 (180deg=0.873) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.996 K(o=-1,f=-0.19) USER MOD Single : A 113 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= -0.0276 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 19 -1.277 -7.123 8.487 1.00 0.00 N ATOM 16 CA TRP A 19 -2.696 -6.796 8.533 1.00 0.00 C ATOM 17 C TRP A 19 -3.569 -8.025 8.247 1.00 0.00 C ATOM 18 O TRP A 19 -3.231 -8.879 7.427 1.00 0.00 O ATOM 19 CB TRP A 19 -3.038 -5.626 7.584 1.00 0.00 C ATOM 20 CG TRP A 19 -2.449 -5.711 6.201 1.00 0.00 C ATOM 21 CD1 TRP A 19 -1.856 -6.794 5.618 1.00 0.00 C ATOM 22 CD2 TRP A 19 -2.405 -4.657 5.222 1.00 0.00 C ATOM 23 NE1 TRP A 19 -1.436 -6.479 4.353 1.00 0.00 N ATOM 24 CE2 TRP A 19 -1.764 -5.178 4.081 1.00 0.00 C ATOM 25 CE3 TRP A 19 -2.845 -3.324 5.190 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -1.547 -4.416 2.936 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -2.629 -2.576 4.050 1.00 0.00 C ATOM 28 CH2 TRP A 19 -1.985 -3.123 2.937 1.00 0.00 C ATOM 0 HA TRP A 19 -2.920 -6.469 9.548 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.122 -5.561 7.493 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -2.701 -4.698 8.046 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -1.736 -7.760 6.087 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.955 -7.113 3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.345 -2.891 6.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.048 -4.835 2.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -2.964 -1.550 4.018 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.831 -2.511 2.061 1.00 0.00 H new ATOM 39 N ASP A 20 -4.682 -8.103 8.963 1.00 0.00 N ATOM 40 CA ASP A 20 -5.616 -9.228 8.871 1.00 0.00 C ATOM 41 C ASP A 20 -6.494 -9.093 7.626 1.00 0.00 C ATOM 42 O ASP A 20 -6.504 -8.041 6.995 1.00 0.00 O ATOM 43 CB ASP A 20 -6.477 -9.252 10.145 1.00 0.00 C ATOM 44 CG ASP A 20 -7.549 -10.328 10.149 1.00 0.00 C ATOM 45 OD1 ASP A 20 -7.268 -11.449 10.611 1.00 0.00 O ATOM 46 OD2 ASP A 20 -8.679 -10.043 9.705 1.00 0.00 O ATOM 0 H ASP A 20 -4.968 -7.386 9.629 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.063 -10.164 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.827 -9.399 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.953 -8.279 10.267 1.00 0.00 H new ATOM 51 N ASP A 21 -7.216 -10.160 7.276 1.00 0.00 N ATOM 52 CA ASP A 21 -8.182 -10.132 6.169 1.00 0.00 C ATOM 53 C ASP A 21 -9.125 -8.953 6.305 1.00 0.00 C ATOM 54 O ASP A 21 -9.485 -8.298 5.326 1.00 0.00 O ATOM 55 CB ASP A 21 -9.020 -11.408 6.160 1.00 0.00 C ATOM 56 CG ASP A 21 -10.006 -11.448 5.005 1.00 0.00 C ATOM 57 OD1 ASP A 21 -9.567 -11.596 3.846 1.00 0.00 O ATOM 58 OD2 ASP A 21 -11.226 -11.340 5.251 1.00 0.00 O ATOM 0 H ASP A 21 -7.150 -11.063 7.746 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.614 -10.047 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.359 -12.273 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.564 -11.488 7.101 1.00 0.00 H new ATOM 63 N ALA A 22 -9.536 -8.706 7.530 1.00 0.00 N ATOM 64 CA ALA A 22 -10.427 -7.611 7.828 1.00 0.00 C ATOM 65 C ALA A 22 -9.643 -6.315 7.978 1.00 0.00 C ATOM 66 O ALA A 22 -10.049 -5.267 7.476 1.00 0.00 O ATOM 67 CB ALA A 22 -11.213 -7.928 9.087 1.00 0.00 C ATOM 0 H ALA A 22 -9.262 -9.258 8.343 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.129 -7.478 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.887 -7.101 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.794 -8.838 8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.524 -8.073 9.919 1.00 0.00 H new ATOM 73 N ASP A 23 -8.497 -6.407 8.636 1.00 0.00 N ATOM 74 CA ASP A 23 -7.684 -5.232 8.932 1.00 0.00 C ATOM 75 C ASP A 23 -7.150 -4.581 7.657 1.00 0.00 C ATOM 76 O ASP A 23 -7.128 -3.362 7.558 1.00 0.00 O ATOM 77 CB ASP A 23 -6.525 -5.599 9.858 1.00 0.00 C ATOM 78 CG ASP A 23 -5.747 -4.387 10.332 1.00 0.00 C ATOM 79 OD1 ASP A 23 -4.784 -3.987 9.651 1.00 0.00 O ATOM 80 OD2 ASP A 23 -6.081 -3.847 11.404 1.00 0.00 O ATOM 0 H ASP A 23 -8.106 -7.285 8.977 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.326 -4.509 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.913 -6.137 10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.850 -6.278 9.337 1.00 0.00 H new ATOM 85 N VAL A 24 -6.740 -5.394 6.681 1.00 0.00 N ATOM 86 CA VAL A 24 -6.180 -4.878 5.425 1.00 0.00 C ATOM 87 C VAL A 24 -7.129 -3.872 4.767 1.00 0.00 C ATOM 88 O VAL A 24 -6.695 -2.851 4.238 1.00 0.00 O ATOM 89 CB VAL A 24 -5.843 -6.019 4.424 1.00 0.00 C ATOM 90 CG1 VAL A 24 -7.075 -6.840 4.079 1.00 0.00 C ATOM 91 CG2 VAL A 24 -5.209 -5.463 3.157 1.00 0.00 C ATOM 0 H VAL A 24 -6.784 -6.412 6.734 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.251 -4.370 5.684 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.125 -6.677 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.802 -7.628 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.480 -7.287 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.827 -6.195 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.983 -6.282 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.901 -4.771 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.288 -4.938 3.411 1.00 0.00 H new ATOM 101 N LYS A 25 -8.424 -4.151 4.825 1.00 0.00 N ATOM 102 CA LYS A 25 -9.418 -3.247 4.274 1.00 0.00 C ATOM 103 C LYS A 25 -9.813 -2.193 5.293 1.00 0.00 C ATOM 104 O LYS A 25 -9.814 -1.005 4.992 1.00 0.00 O ATOM 105 CB LYS A 25 -10.658 -4.013 3.811 1.00 0.00 C ATOM 106 CG LYS A 25 -10.493 -4.696 2.465 1.00 0.00 C ATOM 107 CD LYS A 25 -10.322 -3.695 1.325 1.00 0.00 C ATOM 108 CE LYS A 25 -11.608 -2.928 1.021 1.00 0.00 C ATOM 109 NZ LYS A 25 -11.884 -1.826 1.992 1.00 0.00 N ATOM 0 H LYS A 25 -8.808 -4.996 5.248 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.972 -2.752 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.910 -4.764 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.500 -3.323 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.626 -5.356 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.363 -5.322 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.533 -2.988 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.997 -4.223 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.544 -2.510 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.447 -3.624 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.682 -2.094 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.040 -1.659 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.122 -0.957 1.472 1.00 0.00 H new ATOM 123 N LYS A 26 -10.128 -2.639 6.504 1.00 0.00 N ATOM 124 CA LYS A 26 -10.619 -1.747 7.550 1.00 0.00 C ATOM 125 C LYS A 26 -9.608 -0.656 7.881 1.00 0.00 C ATOM 126 O LYS A 26 -9.992 0.478 8.142 1.00 0.00 O ATOM 127 CB LYS A 26 -11.024 -2.519 8.809 1.00 0.00 C ATOM 128 CG LYS A 26 -12.529 -2.768 8.915 1.00 0.00 C ATOM 129 CD LYS A 26 -12.953 -4.130 8.368 1.00 0.00 C ATOM 130 CE LYS A 26 -12.803 -4.246 6.855 1.00 0.00 C ATOM 131 NZ LYS A 26 -13.708 -3.329 6.110 1.00 0.00 N ATOM 0 H LYS A 26 -10.052 -3.616 6.787 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.513 -1.262 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.504 -3.477 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.693 -1.965 9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.831 -2.693 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.059 -1.985 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.357 -4.907 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.993 -4.315 8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.770 -4.031 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.006 -5.273 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.942 -3.747 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.581 -3.184 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.234 -2.415 5.966 1.00 0.00 H new ATOM 145 N ARG A 27 -8.326 -1.005 7.900 1.00 0.00 N ATOM 146 CA ARG A 27 -7.263 -0.025 8.116 1.00 0.00 C ATOM 147 C ARG A 27 -7.398 1.137 7.128 1.00 0.00 C ATOM 148 O ARG A 27 -7.176 2.294 7.478 1.00 0.00 O ATOM 149 CB ARG A 27 -5.891 -0.690 7.964 1.00 0.00 C ATOM 150 CG ARG A 27 -4.725 0.209 8.336 1.00 0.00 C ATOM 151 CD ARG A 27 -3.388 -0.489 8.123 1.00 0.00 C ATOM 152 NE ARG A 27 -3.297 -1.742 8.871 1.00 0.00 N ATOM 153 CZ ARG A 27 -2.177 -2.215 9.409 1.00 0.00 C ATOM 154 NH1 ARG A 27 -1.034 -1.546 9.291 1.00 0.00 N ATOM 155 NH2 ARG A 27 -2.211 -3.360 10.071 1.00 0.00 N ATOM 0 H ARG A 27 -7.995 -1.961 7.768 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.354 0.367 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.861 -1.584 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.769 -1.017 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.761 1.119 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.816 0.511 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.250 -0.690 7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.580 0.175 8.429 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.150 -2.290 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.011 -0.661 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.180 -1.918 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.090 -3.869 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.358 -3.733 10.488 1.00 0.00 H new ATOM 169 N TRP A 28 -7.773 0.817 5.895 1.00 0.00 N ATOM 170 CA TRP A 28 -8.019 1.835 4.881 1.00 0.00 C ATOM 171 C TRP A 28 -9.370 2.513 5.130 1.00 0.00 C ATOM 172 O TRP A 28 -9.490 3.740 5.063 1.00 0.00 O ATOM 173 CB TRP A 28 -8.023 1.217 3.477 1.00 0.00 C ATOM 174 CG TRP A 28 -6.711 0.635 3.020 1.00 0.00 C ATOM 175 CD1 TRP A 28 -5.456 0.905 3.499 1.00 0.00 C ATOM 176 CD2 TRP A 28 -6.536 -0.314 1.960 1.00 0.00 C ATOM 177 NE1 TRP A 28 -4.516 0.198 2.783 1.00 0.00 N ATOM 178 CE2 TRP A 28 -5.156 -0.562 1.842 1.00 0.00 C ATOM 179 CE3 TRP A 28 -7.415 -0.975 1.096 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -4.635 -1.441 0.897 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -6.896 -1.850 0.160 1.00 0.00 C ATOM 182 CH2 TRP A 28 -5.516 -2.076 0.067 1.00 0.00 C ATOM 0 H TRP A 28 -7.913 -0.141 5.573 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.218 2.572 4.945 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.779 0.432 3.447 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.329 1.982 2.763 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.236 1.574 4.318 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.507 0.235 2.930 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -8.480 -0.805 1.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.572 -1.615 0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.565 -2.368 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.141 -2.765 -0.675 1.00 0.00 H new ATOM 193 N ASP A 29 -10.378 1.696 5.421 1.00 0.00 N ATOM 194 CA ASP A 29 -11.751 2.164 5.589 1.00 0.00 C ATOM 195 C ASP A 29 -11.890 3.122 6.771 1.00 0.00 C ATOM 196 O ASP A 29 -12.513 4.173 6.650 1.00 0.00 O ATOM 197 CB ASP A 29 -12.705 0.979 5.794 1.00 0.00 C ATOM 198 CG ASP A 29 -12.765 0.029 4.612 1.00 0.00 C ATOM 199 OD1 ASP A 29 -12.913 0.499 3.466 1.00 0.00 O ATOM 200 OD2 ASP A 29 -12.687 -1.204 4.830 1.00 0.00 O ATOM 0 H ASP A 29 -10.266 0.690 5.547 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.013 2.700 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.395 0.424 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.706 1.361 5.992 1.00 0.00 H new ATOM 205 N ALA A 30 -11.299 2.753 7.903 1.00 0.00 N ATOM 206 CA ALA A 30 -11.454 3.498 9.153 1.00 0.00 C ATOM 207 C ALA A 30 -11.015 4.950 9.013 1.00 0.00 C ATOM 208 O ALA A 30 -11.793 5.867 9.278 1.00 0.00 O ATOM 209 CB ALA A 30 -10.673 2.818 10.268 1.00 0.00 C ATOM 0 H ALA A 30 -10.700 1.931 7.982 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.515 3.501 9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.795 3.381 11.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.047 1.804 10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.616 2.782 10.002 1.00 0.00 H new ATOM 215 N PHE A 31 -9.773 5.157 8.592 1.00 0.00 N ATOM 216 CA PHE A 31 -9.239 6.504 8.424 1.00 0.00 C ATOM 217 C PHE A 31 -10.052 7.294 7.404 1.00 0.00 C ATOM 218 O PHE A 31 -10.135 8.519 7.480 1.00 0.00 O ATOM 219 CB PHE A 31 -7.769 6.450 8.006 1.00 0.00 C ATOM 220 CG PHE A 31 -6.849 5.978 9.098 1.00 0.00 C ATOM 221 CD1 PHE A 31 -6.696 4.627 9.361 1.00 0.00 C ATOM 222 CD2 PHE A 31 -6.145 6.889 9.868 1.00 0.00 C ATOM 223 CE1 PHE A 31 -5.856 4.193 10.368 1.00 0.00 C ATOM 224 CE2 PHE A 31 -5.305 6.461 10.878 1.00 0.00 C ATOM 225 CZ PHE A 31 -5.162 5.111 11.129 1.00 0.00 C ATOM 0 H PHE A 31 -9.117 4.411 8.361 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.311 7.015 9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.669 5.787 7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.455 7.442 7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.240 3.904 8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.254 7.946 9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.743 3.136 10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.761 7.182 11.470 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.508 4.774 11.920 1.00 0.00 H new ATOM 371 N MET A 42 3.400 7.396 8.545 1.00 0.00 N ATOM 372 CA MET A 42 4.514 6.466 8.550 1.00 0.00 C ATOM 373 C MET A 42 5.736 7.102 7.905 1.00 0.00 C ATOM 374 O MET A 42 5.608 7.957 7.032 1.00 0.00 O ATOM 375 CB MET A 42 4.125 5.181 7.812 1.00 0.00 C ATOM 376 CG MET A 42 5.134 4.055 7.968 1.00 0.00 C ATOM 377 SD MET A 42 5.378 3.575 9.691 1.00 0.00 S ATOM 378 CE MET A 42 3.721 3.056 10.139 1.00 0.00 C ATOM 0 HA MET A 42 4.762 6.216 9.582 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.156 4.842 8.179 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.004 5.404 6.752 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.798 3.189 7.398 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.088 4.366 7.543 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.762 2.445 11.041 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.102 3.934 10.324 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.290 2.473 9.325 1.00 0.00 H new ATOM 388 N THR A 43 6.918 6.700 8.346 1.00 0.00 N ATOM 389 CA THR A 43 8.149 7.230 7.791 1.00 0.00 C ATOM 390 C THR A 43 8.577 6.430 6.567 1.00 0.00 C ATOM 391 O THR A 43 8.227 5.253 6.430 1.00 0.00 O ATOM 392 CB THR A 43 9.282 7.224 8.833 1.00 0.00 C ATOM 393 OG1 THR A 43 9.514 5.892 9.310 1.00 0.00 O ATOM 394 CG2 THR A 43 8.947 8.135 10.002 1.00 0.00 C ATOM 0 H THR A 43 7.049 6.010 9.085 1.00 0.00 H new ATOM 0 HA THR A 43 7.955 8.261 7.496 1.00 0.00 H new ATOM 0 HB THR A 43 10.186 7.594 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.668 5.913 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.762 8.114 10.725 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.808 9.154 9.641 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.030 7.791 10.480 1.00 0.00 H new ATOM 402 N GLY A 44 9.339 7.075 5.687 1.00 0.00 N ATOM 403 CA GLY A 44 9.768 6.452 4.447 1.00 0.00 C ATOM 404 C GLY A 44 10.489 5.133 4.648 1.00 0.00 C ATOM 405 O GLY A 44 10.331 4.218 3.848 1.00 0.00 O ATOM 0 H GLY A 44 9.670 8.031 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.897 6.287 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.426 7.138 3.914 1.00 0.00 H new ATOM 409 N LYS A 45 11.276 5.033 5.716 1.00 0.00 N ATOM 410 CA LYS A 45 12.025 3.813 6.001 1.00 0.00 C ATOM 411 C LYS A 45 11.075 2.640 6.223 1.00 0.00 C ATOM 412 O LYS A 45 11.232 1.573 5.630 1.00 0.00 O ATOM 413 CB LYS A 45 12.903 3.996 7.239 1.00 0.00 C ATOM 414 CG LYS A 45 13.771 2.787 7.553 1.00 0.00 C ATOM 415 CD LYS A 45 14.386 2.882 8.940 1.00 0.00 C ATOM 416 CE LYS A 45 13.317 2.888 10.019 1.00 0.00 C ATOM 417 NZ LYS A 45 13.900 2.904 11.383 1.00 0.00 N ATOM 0 H LYS A 45 11.411 5.780 6.397 1.00 0.00 H new ATOM 0 HA LYS A 45 12.660 3.602 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.544 4.866 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.266 4.209 8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.171 1.880 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.563 2.704 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.061 2.041 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.985 3.790 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.676 3.760 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.684 2.008 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.135 2.908 12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.491 2.059 11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.483 3.757 11.501 1.00 0.00 H new ATOM 431 N ASN A 46 10.081 2.854 7.074 1.00 0.00 N ATOM 432 CA ASN A 46 9.123 1.808 7.400 1.00 0.00 C ATOM 433 C ASN A 46 8.189 1.552 6.229 1.00 0.00 C ATOM 434 O ASN A 46 7.751 0.426 6.011 1.00 0.00 O ATOM 435 CB ASN A 46 8.311 2.174 8.647 1.00 0.00 C ATOM 436 CG ASN A 46 9.131 2.117 9.924 1.00 0.00 C ATOM 437 OD1 ASN A 46 9.263 1.063 10.540 1.00 0.00 O ATOM 438 ND2 ASN A 46 9.653 3.257 10.354 1.00 0.00 N ATOM 0 H ASN A 46 9.918 3.741 7.550 1.00 0.00 H new ATOM 0 HA ASN A 46 9.684 0.897 7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.904 3.178 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.463 1.494 8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.185 3.278 11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.522 4.113 9.815 1.00 0.00 H new ATOM 445 N PHE A 47 7.902 2.601 5.468 1.00 0.00 N ATOM 446 CA PHE A 47 7.012 2.490 4.321 1.00 0.00 C ATOM 447 C PHE A 47 7.661 1.652 3.218 1.00 0.00 C ATOM 448 O PHE A 47 7.034 0.755 2.663 1.00 0.00 O ATOM 449 CB PHE A 47 6.657 3.882 3.798 1.00 0.00 C ATOM 450 CG PHE A 47 5.481 3.890 2.860 1.00 0.00 C ATOM 451 CD1 PHE A 47 4.189 3.776 3.355 1.00 0.00 C ATOM 452 CD2 PHE A 47 5.661 4.010 1.490 1.00 0.00 C ATOM 453 CE1 PHE A 47 3.103 3.775 2.503 1.00 0.00 C ATOM 454 CE2 PHE A 47 4.576 4.011 0.634 1.00 0.00 C ATOM 455 CZ PHE A 47 3.296 3.894 1.142 1.00 0.00 C ATOM 0 H PHE A 47 8.273 3.538 5.625 1.00 0.00 H new ATOM 0 HA PHE A 47 6.096 1.989 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.441 4.535 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.523 4.300 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.032 3.687 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.659 4.104 1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.103 3.681 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.728 4.103 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.447 3.896 0.474 1.00 0.00 H new ATOM 465 N ASP A 48 8.925 1.948 2.928 1.00 0.00 N ATOM 466 CA ASP A 48 9.705 1.203 1.933 1.00 0.00 C ATOM 467 C ASP A 48 9.825 -0.266 2.336 1.00 0.00 C ATOM 468 O ASP A 48 9.763 -1.165 1.499 1.00 0.00 O ATOM 469 CB ASP A 48 11.097 1.844 1.804 1.00 0.00 C ATOM 470 CG ASP A 48 12.077 1.050 0.956 1.00 0.00 C ATOM 471 OD1 ASP A 48 12.661 0.069 1.467 1.00 0.00 O ATOM 472 OD2 ASP A 48 12.322 1.449 -0.205 1.00 0.00 O ATOM 0 H ASP A 48 9.440 2.708 3.372 1.00 0.00 H new ATOM 0 HA ASP A 48 9.197 1.244 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.987 2.840 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.519 1.972 2.801 1.00 0.00 H new ATOM 477 N LYS A 49 9.940 -0.492 3.637 1.00 0.00 N ATOM 478 CA LYS A 49 10.134 -1.827 4.183 1.00 0.00 C ATOM 479 C LYS A 49 8.849 -2.629 4.035 1.00 0.00 C ATOM 480 O LYS A 49 8.842 -3.743 3.505 1.00 0.00 O ATOM 481 CB LYS A 49 10.520 -1.722 5.662 1.00 0.00 C ATOM 482 CG LYS A 49 11.360 -2.878 6.187 1.00 0.00 C ATOM 483 CD LYS A 49 12.828 -2.725 5.807 1.00 0.00 C ATOM 484 CE LYS A 49 13.123 -3.249 4.409 1.00 0.00 C ATOM 485 NZ LYS A 49 13.151 -4.735 4.375 1.00 0.00 N ATOM 0 H LYS A 49 9.901 0.244 4.342 1.00 0.00 H new ATOM 0 HA LYS A 49 10.933 -2.332 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.070 -0.793 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.609 -1.654 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.268 -2.931 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.977 -3.817 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.108 -1.673 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.445 -3.259 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.366 -2.883 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.082 -2.859 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.486 -5.055 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.793 -5.087 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.193 -5.104 4.543 1.00 0.00 H new ATOM 499 N TRP A 50 7.761 -2.026 4.499 1.00 0.00 N ATOM 500 CA TRP A 50 6.428 -2.601 4.393 1.00 0.00 C ATOM 501 C TRP A 50 6.069 -2.865 2.933 1.00 0.00 C ATOM 502 O TRP A 50 5.459 -3.883 2.601 1.00 0.00 O ATOM 503 CB TRP A 50 5.420 -1.636 5.030 1.00 0.00 C ATOM 504 CG TRP A 50 3.987 -1.993 4.797 1.00 0.00 C ATOM 505 CD1 TRP A 50 3.153 -1.452 3.860 1.00 0.00 C ATOM 506 CD2 TRP A 50 3.215 -2.963 5.510 1.00 0.00 C ATOM 507 NE1 TRP A 50 1.912 -2.026 3.947 1.00 0.00 N ATOM 508 CE2 TRP A 50 1.923 -2.957 4.952 1.00 0.00 C ATOM 509 CE3 TRP A 50 3.487 -3.839 6.564 1.00 0.00 C ATOM 510 CZ2 TRP A 50 0.911 -3.785 5.414 1.00 0.00 C ATOM 511 CZ3 TRP A 50 2.476 -4.663 7.021 1.00 0.00 C ATOM 512 CH2 TRP A 50 1.203 -4.632 6.445 1.00 0.00 C ATOM 0 H TRP A 50 7.780 -1.118 4.963 1.00 0.00 H new ATOM 0 HA TRP A 50 6.402 -3.556 4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.602 -1.598 6.104 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.600 -0.634 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.431 -0.684 3.154 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.110 -1.797 3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.469 -3.872 7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.075 -3.761 4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.673 -5.342 7.837 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.435 -5.291 6.823 1.00 0.00 H new ATOM 523 N LEU A 51 6.476 -1.954 2.059 1.00 0.00 N ATOM 524 CA LEU A 51 6.115 -2.043 0.651 1.00 0.00 C ATOM 525 C LEU A 51 6.927 -3.113 -0.074 1.00 0.00 C ATOM 526 O LEU A 51 6.414 -3.787 -0.975 1.00 0.00 O ATOM 527 CB LEU A 51 6.290 -0.693 -0.039 1.00 0.00 C ATOM 528 CG LEU A 51 4.991 0.045 -0.374 1.00 0.00 C ATOM 529 CD1 LEU A 51 4.108 -0.800 -1.277 1.00 0.00 C ATOM 530 CD2 LEU A 51 4.246 0.417 0.894 1.00 0.00 C ATOM 0 H LEU A 51 7.054 -1.148 2.299 1.00 0.00 H new ATOM 0 HA LEU A 51 5.065 -2.330 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.897 -0.053 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.850 -0.845 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 51 5.249 0.961 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.191 -0.256 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.638 -1.017 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.861 -1.735 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.326 0.941 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.004 -0.487 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.872 1.065 1.507 1.00 0.00 H new ATOM 542 N LYS A 52 8.188 -3.261 0.309 1.00 0.00 N ATOM 543 CA LYS A 52 9.058 -4.264 -0.292 1.00 0.00 C ATOM 544 C LYS A 52 8.573 -5.675 0.037 1.00 0.00 C ATOM 545 O LYS A 52 8.668 -6.584 -0.793 1.00 0.00 O ATOM 546 CB LYS A 52 10.502 -4.063 0.178 1.00 0.00 C ATOM 547 CG LYS A 52 11.467 -5.136 -0.306 1.00 0.00 C ATOM 548 CD LYS A 52 12.887 -4.859 0.162 1.00 0.00 C ATOM 549 CE LYS A 52 13.618 -3.913 -0.775 1.00 0.00 C ATOM 550 NZ LYS A 52 13.961 -4.574 -2.066 1.00 0.00 N ATOM 0 H LYS A 52 8.632 -2.698 1.034 1.00 0.00 H new ATOM 0 HA LYS A 52 9.025 -4.143 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.853 -3.091 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.518 -4.039 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.145 -6.110 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.444 -5.183 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.862 -4.430 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.436 -5.798 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.996 -3.039 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.529 -3.557 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.912 -4.279 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.941 -5.607 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.269 -4.298 -2.792 1.00 0.00 H new ATOM 564 N ASP A 53 8.047 -5.859 1.243 1.00 0.00 N ATOM 565 CA ASP A 53 7.493 -7.155 1.639 1.00 0.00 C ATOM 566 C ASP A 53 6.173 -7.427 0.932 1.00 0.00 C ATOM 567 O ASP A 53 5.809 -8.581 0.700 1.00 0.00 O ATOM 568 CB ASP A 53 7.288 -7.233 3.153 1.00 0.00 C ATOM 569 CG ASP A 53 8.492 -7.799 3.874 1.00 0.00 C ATOM 570 OD1 ASP A 53 8.652 -9.042 3.890 1.00 0.00 O ATOM 571 OD2 ASP A 53 9.289 -7.013 4.422 1.00 0.00 O ATOM 0 H ASP A 53 7.991 -5.136 1.960 1.00 0.00 H new ATOM 0 HA ASP A 53 8.216 -7.916 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.073 -6.236 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.417 -7.852 3.367 1.00 0.00 H new ATOM 576 N ALA A 54 5.462 -6.362 0.594 1.00 0.00 N ATOM 577 CA ALA A 54 4.189 -6.479 -0.104 1.00 0.00 C ATOM 578 C ALA A 54 4.392 -6.924 -1.549 1.00 0.00 C ATOM 579 O ALA A 54 3.528 -7.578 -2.130 1.00 0.00 O ATOM 580 CB ALA A 54 3.434 -5.158 -0.055 1.00 0.00 C ATOM 0 H ALA A 54 5.746 -5.403 0.792 1.00 0.00 H new ATOM 0 HA ALA A 54 3.596 -7.241 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.485 -5.262 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.246 -4.885 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.030 -4.380 -0.532 1.00 0.00 H new ATOM 586 N GLY A 55 5.532 -6.561 -2.125 1.00 0.00 N ATOM 587 CA GLY A 55 5.819 -6.936 -3.499 1.00 0.00 C ATOM 588 C GLY A 55 5.362 -5.879 -4.482 1.00 0.00 C ATOM 589 O GLY A 55 5.411 -6.074 -5.699 1.00 0.00 O ATOM 0 H GLY A 55 6.262 -6.015 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.891 -7.099 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.326 -7.881 -3.727 1.00 0.00 H new ATOM 593 N VAL A 56 4.911 -4.755 -3.951 1.00 0.00 N ATOM 594 CA VAL A 56 4.461 -3.648 -4.780 1.00 0.00 C ATOM 595 C VAL A 56 5.625 -2.705 -5.060 1.00 0.00 C ATOM 596 O VAL A 56 5.746 -2.141 -6.147 1.00 0.00 O ATOM 597 CB VAL A 56 3.317 -2.867 -4.100 1.00 0.00 C ATOM 598 CG1 VAL A 56 2.728 -1.829 -5.038 1.00 0.00 C ATOM 599 CG2 VAL A 56 2.235 -3.817 -3.615 1.00 0.00 C ATOM 0 H VAL A 56 4.846 -4.584 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 56 4.085 -4.060 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 56 3.735 -2.346 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.924 -1.295 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.504 -1.123 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.332 -2.323 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.437 -3.247 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.830 -4.370 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.661 -4.517 -2.896 1.00 0.00 H new ATOM 609 N LEU A 57 6.486 -2.561 -4.066 1.00 0.00 N ATOM 610 CA LEU A 57 7.650 -1.700 -4.166 1.00 0.00 C ATOM 611 C LEU A 57 8.909 -2.530 -3.971 1.00 0.00 C ATOM 612 O LEU A 57 8.879 -3.556 -3.294 1.00 0.00 O ATOM 613 CB LEU A 57 7.578 -0.612 -3.095 1.00 0.00 C ATOM 614 CG LEU A 57 8.709 0.418 -3.112 1.00 0.00 C ATOM 615 CD1 LEU A 57 8.392 1.538 -4.083 1.00 0.00 C ATOM 616 CD2 LEU A 57 8.946 0.976 -1.720 1.00 0.00 C ATOM 0 H LEU A 57 6.397 -3.038 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 57 7.673 -1.232 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.630 -0.084 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.565 -1.093 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 57 9.620 -0.080 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.207 2.262 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.272 1.127 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.468 2.031 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.754 1.707 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.036 1.457 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.218 0.165 -1.044 1.00 0.00 H new ATOM 628 N ASP A 58 10.002 -2.100 -4.572 1.00 0.00 N ATOM 629 CA ASP A 58 11.278 -2.765 -4.371 1.00 0.00 C ATOM 630 C ASP A 58 12.295 -1.786 -3.803 1.00 0.00 C ATOM 631 O ASP A 58 12.333 -1.581 -2.594 1.00 0.00 O ATOM 632 CB ASP A 58 11.791 -3.396 -5.672 1.00 0.00 C ATOM 633 CG ASP A 58 13.184 -3.976 -5.524 1.00 0.00 C ATOM 634 OD1 ASP A 58 13.370 -4.900 -4.714 1.00 0.00 O ATOM 635 OD2 ASP A 58 14.106 -3.485 -6.209 1.00 0.00 O ATOM 0 H ASP A 58 10.034 -1.297 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 58 11.132 -3.572 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.105 -4.182 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.796 -2.643 -6.460 1.00 0.00 H new ATOM 640 N ASN A 59 13.094 -1.180 -4.685 1.00 0.00 N ATOM 641 CA ASN A 59 14.099 -0.186 -4.306 1.00 0.00 C ATOM 642 C ASN A 59 15.063 0.023 -5.466 1.00 0.00 C ATOM 643 O ASN A 59 15.382 1.152 -5.839 1.00 0.00 O ATOM 644 CB ASN A 59 14.897 -0.629 -3.074 1.00 0.00 C ATOM 645 CG ASN A 59 15.665 0.513 -2.446 1.00 0.00 C ATOM 646 OD1 ASN A 59 16.819 0.771 -2.790 1.00 0.00 O ATOM 647 ND2 ASN A 59 15.026 1.205 -1.516 1.00 0.00 N ATOM 0 H ASN A 59 13.061 -1.367 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 59 13.578 0.741 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.216 -1.055 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.593 -1.418 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.490 1.987 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.070 0.956 -1.262 1.00 0.00 H new ATOM 654 N LYS A 60 15.502 -1.085 -6.046 1.00 0.00 N ATOM 655 CA LYS A 60 16.479 -1.058 -7.124 1.00 0.00 C ATOM 656 C LYS A 60 15.777 -1.258 -8.462 1.00 0.00 C ATOM 657 O LYS A 60 15.995 -0.505 -9.413 1.00 0.00 O ATOM 658 CB LYS A 60 17.523 -2.162 -6.890 1.00 0.00 C ATOM 659 CG LYS A 60 18.826 -1.999 -7.671 1.00 0.00 C ATOM 660 CD LYS A 60 18.657 -2.323 -9.148 1.00 0.00 C ATOM 661 CE LYS A 60 19.970 -2.213 -9.904 1.00 0.00 C ATOM 662 NZ LYS A 60 20.565 -0.854 -9.807 1.00 0.00 N ATOM 0 H LYS A 60 15.193 -2.021 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 60 16.983 -0.092 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 60 17.758 -2.199 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.078 -3.122 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.186 -0.976 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.588 -2.651 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 60 18.259 -3.332 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.926 -1.644 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 60 20.675 -2.945 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.805 -2.461 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.352 -0.771 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.841 -0.141 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.919 -0.698 -8.842 1.00 0.00 H new ATOM 676 N ALA A 61 14.931 -2.280 -8.522 1.00 0.00 N ATOM 677 CA ALA A 61 14.203 -2.605 -9.741 1.00 0.00 C ATOM 678 C ALA A 61 13.256 -1.477 -10.136 1.00 0.00 C ATOM 679 O ALA A 61 13.091 -1.179 -11.318 1.00 0.00 O ATOM 680 CB ALA A 61 13.434 -3.904 -9.565 1.00 0.00 C ATOM 0 H ALA A 61 14.732 -2.900 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 61 14.929 -2.730 -10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.895 -4.135 -10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.131 -4.712 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.724 -3.798 -8.744 1.00 0.00 H new ATOM 686 N ILE A 62 12.646 -0.850 -9.140 1.00 0.00 N ATOM 687 CA ILE A 62 11.722 0.248 -9.382 1.00 0.00 C ATOM 688 C ILE A 62 12.466 1.453 -9.922 1.00 0.00 C ATOM 689 O ILE A 62 13.443 1.923 -9.335 1.00 0.00 O ATOM 690 CB ILE A 62 10.945 0.635 -8.101 1.00 0.00 C ATOM 691 CG1 ILE A 62 10.117 -0.555 -7.597 1.00 0.00 C ATOM 692 CG2 ILE A 62 10.049 1.842 -8.353 1.00 0.00 C ATOM 693 CD1 ILE A 62 9.090 -1.048 -8.592 1.00 0.00 C ATOM 0 H ILE A 62 12.775 -1.084 -8.156 1.00 0.00 H new ATOM 0 HA ILE A 62 10.997 -0.090 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 62 11.668 0.905 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.791 -1.375 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.609 -0.268 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.513 2.095 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.660 2.690 -8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.332 1.605 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.545 -1.890 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.392 -0.243 -8.824 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.592 -1.367 -9.505 1.00 0.00 H new ATOM 705 N THR A 63 11.997 1.922 -11.060 1.00 0.00 N ATOM 706 CA THR A 63 12.621 3.014 -11.770 1.00 0.00 C ATOM 707 C THR A 63 12.586 4.308 -10.962 1.00 0.00 C ATOM 708 O THR A 63 11.568 4.634 -10.347 1.00 0.00 O ATOM 709 CB THR A 63 11.906 3.237 -13.104 1.00 0.00 C ATOM 710 OG1 THR A 63 11.482 1.981 -13.649 1.00 0.00 O ATOM 711 CG2 THR A 63 12.830 3.920 -14.080 1.00 0.00 C ATOM 0 H THR A 63 11.165 1.552 -11.520 1.00 0.00 H new ATOM 0 HA THR A 63 13.664 2.745 -11.939 1.00 0.00 H new ATOM 0 HB THR A 63 11.035 3.869 -12.931 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.024 2.132 -14.502 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.311 4.074 -15.026 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.139 4.884 -13.675 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.709 3.297 -14.246 1.00 0.00 H new ATOM 719 N GLY A 64 13.693 5.046 -10.993 1.00 0.00 N ATOM 720 CA GLY A 64 13.786 6.295 -10.262 1.00 0.00 C ATOM 721 C GLY A 64 12.737 7.300 -10.699 1.00 0.00 C ATOM 722 O GLY A 64 12.189 8.030 -9.876 1.00 0.00 O ATOM 0 H GLY A 64 14.532 4.797 -11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.675 6.098 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.778 6.724 -10.405 1.00 0.00 H new ATOM 726 N THR A 65 12.457 7.334 -11.997 1.00 0.00 N ATOM 727 CA THR A 65 11.411 8.191 -12.535 1.00 0.00 C ATOM 728 C THR A 65 10.063 7.823 -11.919 1.00 0.00 C ATOM 729 O THR A 65 9.356 8.671 -11.373 1.00 0.00 O ATOM 730 CB THR A 65 11.316 8.033 -14.061 1.00 0.00 C ATOM 731 OG1 THR A 65 12.625 7.829 -14.609 1.00 0.00 O ATOM 732 CG2 THR A 65 10.684 9.263 -14.694 1.00 0.00 C ATOM 0 H THR A 65 12.943 6.775 -12.698 1.00 0.00 H new ATOM 0 HA THR A 65 11.661 9.224 -12.292 1.00 0.00 H new ATOM 0 HB THR A 65 10.688 7.169 -14.279 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.560 7.727 -15.582 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.627 9.128 -15.774 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.680 9.404 -14.293 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.291 10.140 -14.469 1.00 0.00 H new ATOM 740 N MET A 66 9.748 6.535 -11.987 1.00 0.00 N ATOM 741 CA MET A 66 8.476 6.001 -11.512 1.00 0.00 C ATOM 742 C MET A 66 8.270 6.301 -10.027 1.00 0.00 C ATOM 743 O MET A 66 7.249 6.862 -9.631 1.00 0.00 O ATOM 744 CB MET A 66 8.444 4.490 -11.752 1.00 0.00 C ATOM 745 CG MET A 66 7.139 3.820 -11.358 1.00 0.00 C ATOM 746 SD MET A 66 7.224 2.025 -11.519 1.00 0.00 S ATOM 747 CE MET A 66 5.577 1.561 -10.989 1.00 0.00 C ATOM 0 H MET A 66 10.371 5.827 -12.375 1.00 0.00 H new ATOM 0 HA MET A 66 7.668 6.481 -12.064 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.633 4.298 -12.808 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.258 4.028 -11.194 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.895 4.080 -10.328 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.332 4.202 -11.983 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.634 0.673 -10.359 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.133 2.380 -10.423 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.960 1.348 -11.862 1.00 0.00 H new ATOM 757 N THR A 67 9.255 5.940 -9.214 1.00 0.00 N ATOM 758 CA THR A 67 9.164 6.128 -7.773 1.00 0.00 C ATOM 759 C THR A 67 9.182 7.614 -7.406 1.00 0.00 C ATOM 760 O THR A 67 8.490 8.036 -6.478 1.00 0.00 O ATOM 761 CB THR A 67 10.281 5.362 -7.020 1.00 0.00 C ATOM 762 OG1 THR A 67 10.141 5.539 -5.608 1.00 0.00 O ATOM 763 CG2 THR A 67 11.666 5.814 -7.457 1.00 0.00 C ATOM 0 H THR A 67 10.127 5.515 -9.529 1.00 0.00 H new ATOM 0 HA THR A 67 8.208 5.711 -7.456 1.00 0.00 H new ATOM 0 HB THR A 67 10.175 4.306 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.451 6.434 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.422 5.254 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.787 5.634 -8.525 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.783 6.878 -7.253 1.00 0.00 H new ATOM 771 N GLY A 68 9.965 8.399 -8.140 1.00 0.00 N ATOM 772 CA GLY A 68 10.052 9.823 -7.879 1.00 0.00 C ATOM 773 C GLY A 68 8.723 10.524 -8.071 1.00 0.00 C ATOM 774 O GLY A 68 8.323 11.352 -7.247 1.00 0.00 O ATOM 0 H GLY A 68 10.543 8.071 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.401 9.983 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.794 10.267 -8.542 1.00 0.00 H new ATOM 778 N ILE A 69 8.031 10.187 -9.156 1.00 0.00 N ATOM 779 CA ILE A 69 6.722 10.765 -9.434 1.00 0.00 C ATOM 780 C ILE A 69 5.721 10.344 -8.363 1.00 0.00 C ATOM 781 O ILE A 69 4.885 11.139 -7.938 1.00 0.00 O ATOM 782 CB ILE A 69 6.198 10.350 -10.827 1.00 0.00 C ATOM 783 CG1 ILE A 69 7.184 10.777 -11.917 1.00 0.00 C ATOM 784 CG2 ILE A 69 4.830 10.967 -11.084 1.00 0.00 C ATOM 785 CD1 ILE A 69 6.803 10.304 -13.304 1.00 0.00 C ATOM 0 H ILE A 69 8.355 9.518 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 69 6.834 11.849 -9.424 1.00 0.00 H new ATOM 0 HB ILE A 69 6.101 9.265 -10.850 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.258 11.864 -11.922 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.173 10.391 -11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.474 10.665 -12.069 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.128 10.624 -10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.907 12.053 -11.043 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.549 10.645 -14.022 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.758 9.215 -13.317 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.828 10.711 -13.572 1.00 0.00 H new ATOM 797 N ALA A 70 5.829 9.094 -7.918 1.00 0.00 N ATOM 798 CA ALA A 70 4.980 8.587 -6.848 1.00 0.00 C ATOM 799 C ALA A 70 5.127 9.447 -5.597 1.00 0.00 C ATOM 800 O ALA A 70 4.139 9.945 -5.063 1.00 0.00 O ATOM 801 CB ALA A 70 5.312 7.132 -6.542 1.00 0.00 C ATOM 0 H ALA A 70 6.497 8.415 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 70 3.943 8.637 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.667 6.772 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.153 6.527 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.354 7.054 -6.232 1.00 0.00 H new ATOM 807 N PHE A 71 6.369 9.644 -5.156 1.00 0.00 N ATOM 808 CA PHE A 71 6.646 10.476 -3.986 1.00 0.00 C ATOM 809 C PHE A 71 6.110 11.894 -4.177 1.00 0.00 C ATOM 810 O PHE A 71 5.516 12.473 -3.270 1.00 0.00 O ATOM 811 CB PHE A 71 8.147 10.529 -3.686 1.00 0.00 C ATOM 812 CG PHE A 71 8.704 9.243 -3.142 1.00 0.00 C ATOM 813 CD1 PHE A 71 8.071 8.583 -2.101 1.00 0.00 C ATOM 814 CD2 PHE A 71 9.864 8.698 -3.669 1.00 0.00 C ATOM 815 CE1 PHE A 71 8.584 7.403 -1.595 1.00 0.00 C ATOM 816 CE2 PHE A 71 10.382 7.519 -3.166 1.00 0.00 C ATOM 817 CZ PHE A 71 9.741 6.871 -2.127 1.00 0.00 C ATOM 0 H PHE A 71 7.198 9.239 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 71 6.135 10.019 -3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.682 10.787 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.337 11.328 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.166 8.995 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.369 9.200 -4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.080 6.898 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.287 7.105 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.145 5.950 -1.732 1.00 0.00 H new ATOM 827 N SER A 72 6.324 12.452 -5.358 1.00 0.00 N ATOM 828 CA SER A 72 5.858 13.797 -5.657 1.00 0.00 C ATOM 829 C SER A 72 4.330 13.870 -5.626 1.00 0.00 C ATOM 830 O SER A 72 3.750 14.915 -5.331 1.00 0.00 O ATOM 831 CB SER A 72 6.371 14.230 -7.028 1.00 0.00 C ATOM 832 OG SER A 72 7.782 14.091 -7.122 1.00 0.00 O ATOM 0 H SER A 72 6.817 11.995 -6.125 1.00 0.00 H new ATOM 0 HA SER A 72 6.247 14.471 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.893 13.631 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.093 15.268 -7.211 1.00 0.00 H new ATOM 0 HG SER A 72 8.013 13.142 -7.199 1.00 0.00 H new ATOM 838 N LYS A 73 3.686 12.749 -5.922 1.00 0.00 N ATOM 839 CA LYS A 73 2.234 12.698 -5.990 1.00 0.00 C ATOM 840 C LYS A 73 1.622 12.472 -4.610 1.00 0.00 C ATOM 841 O LYS A 73 0.564 13.020 -4.302 1.00 0.00 O ATOM 842 CB LYS A 73 1.790 11.588 -6.950 1.00 0.00 C ATOM 843 CG LYS A 73 0.714 12.011 -7.946 1.00 0.00 C ATOM 844 CD LYS A 73 1.279 12.858 -9.087 1.00 0.00 C ATOM 845 CE LYS A 73 1.667 14.258 -8.636 1.00 0.00 C ATOM 846 NZ LYS A 73 2.242 15.066 -9.745 1.00 0.00 N ATOM 0 H LYS A 73 4.149 11.862 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 73 1.881 13.659 -6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.660 11.232 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.417 10.747 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.235 11.123 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.058 12.577 -7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.153 12.360 -9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.539 12.929 -9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.789 14.766 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.392 14.189 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.492 16.012 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.095 14.596 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.542 15.155 -10.509 1.00 0.00 H new ATOM 860 N VAL A 74 2.288 11.671 -3.781 1.00 0.00 N ATOM 861 CA VAL A 74 1.779 11.358 -2.455 1.00 0.00 C ATOM 862 C VAL A 74 1.768 12.594 -1.550 1.00 0.00 C ATOM 863 O VAL A 74 0.779 12.852 -0.860 1.00 0.00 O ATOM 864 CB VAL A 74 2.577 10.214 -1.787 1.00 0.00 C ATOM 865 CG1 VAL A 74 2.477 8.942 -2.599 1.00 0.00 C ATOM 866 CG2 VAL A 74 4.033 10.578 -1.571 1.00 0.00 C ATOM 0 H VAL A 74 3.179 11.229 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 74 0.751 11.020 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 74 2.129 10.050 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.046 8.152 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.432 8.641 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.880 9.115 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.551 9.743 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.499 10.799 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.097 11.455 -0.927 1.00 0.00 H new ATOM 876 N THR A 75 2.847 13.374 -1.588 1.00 0.00 N ATOM 877 CA THR A 75 2.960 14.572 -0.761 1.00 0.00 C ATOM 878 C THR A 75 4.310 15.274 -0.961 1.00 0.00 C ATOM 879 O THR A 75 4.439 16.472 -0.694 1.00 0.00 O ATOM 880 CB THR A 75 2.750 14.257 0.745 1.00 0.00 C ATOM 881 OG1 THR A 75 2.781 15.468 1.509 1.00 0.00 O ATOM 882 CG2 THR A 75 3.803 13.289 1.277 1.00 0.00 C ATOM 0 H THR A 75 3.656 13.197 -2.184 1.00 0.00 H new ATOM 0 HA THR A 75 2.167 15.245 -1.086 1.00 0.00 H new ATOM 0 HB THR A 75 1.775 13.780 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.646 15.260 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.619 13.096 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.749 12.352 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.794 13.726 1.155 1.00 0.00 H new ATOM 890 N GLY A 76 5.311 14.540 -1.435 1.00 0.00 N ATOM 891 CA GLY A 76 6.626 15.115 -1.620 1.00 0.00 C ATOM 892 C GLY A 76 7.688 14.327 -0.884 1.00 0.00 C ATOM 893 O GLY A 76 8.340 13.464 -1.471 1.00 0.00 O ATOM 0 H GLY A 76 5.233 13.557 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.865 15.143 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.626 16.146 -1.266 1.00 0.00 H new ATOM 987 N THR A 82 1.022 9.167 5.190 1.00 0.00 N ATOM 988 CA THR A 82 -0.223 9.019 5.931 1.00 0.00 C ATOM 989 C THR A 82 -1.431 8.840 4.988 1.00 0.00 C ATOM 990 O THR A 82 -1.270 8.452 3.834 1.00 0.00 O ATOM 991 CB THR A 82 -0.423 10.237 6.869 1.00 0.00 C ATOM 992 OG1 THR A 82 -1.560 10.050 7.727 1.00 0.00 O ATOM 993 CG2 THR A 82 -0.587 11.525 6.072 1.00 0.00 C ATOM 0 HA THR A 82 -0.156 8.114 6.535 1.00 0.00 H new ATOM 0 HB THR A 82 0.472 10.319 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.126 10.850 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.725 12.362 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.304 11.695 5.467 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.457 11.442 5.421 1.00 0.00 H new ATOM 1001 N PHE A 83 -2.624 9.149 5.505 1.00 0.00 N ATOM 1002 CA PHE A 83 -3.914 8.882 4.852 1.00 0.00 C ATOM 1003 C PHE A 83 -3.916 9.116 3.334 1.00 0.00 C ATOM 1004 O PHE A 83 -3.973 8.160 2.556 1.00 0.00 O ATOM 1005 CB PHE A 83 -4.986 9.754 5.514 1.00 0.00 C ATOM 1006 CG PHE A 83 -6.371 9.580 4.959 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -7.030 8.368 5.073 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -7.020 10.637 4.342 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -8.308 8.214 4.577 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -8.298 10.486 3.842 1.00 0.00 C ATOM 1011 CZ PHE A 83 -8.943 9.273 3.960 1.00 0.00 C ATOM 0 H PHE A 83 -2.724 9.604 6.413 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.121 7.820 4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.007 9.532 6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.698 10.800 5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.539 7.535 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.520 11.590 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.812 7.264 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.792 11.316 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.943 9.152 3.570 1.00 0.00 H new ATOM 1021 N ASP A 84 -3.860 10.379 2.915 1.00 0.00 N ATOM 1022 CA ASP A 84 -3.939 10.714 1.490 1.00 0.00 C ATOM 1023 C ASP A 84 -2.693 10.260 0.750 1.00 0.00 C ATOM 1024 O ASP A 84 -2.752 9.905 -0.428 1.00 0.00 O ATOM 1025 CB ASP A 84 -4.136 12.219 1.289 1.00 0.00 C ATOM 1026 CG ASP A 84 -5.528 12.684 1.667 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -6.438 12.605 0.811 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -5.715 13.133 2.816 1.00 0.00 O ATOM 0 H ASP A 84 -3.761 11.183 3.535 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.801 10.187 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.402 12.760 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.945 12.470 0.246 1.00 0.00 H new ATOM 1033 N GLU A 85 -1.577 10.260 1.457 1.00 0.00 N ATOM 1034 CA GLU A 85 -0.300 9.862 0.890 1.00 0.00 C ATOM 1035 C GLU A 85 -0.360 8.411 0.422 1.00 0.00 C ATOM 1036 O GLU A 85 -0.185 8.127 -0.761 1.00 0.00 O ATOM 1037 CB GLU A 85 0.797 10.060 1.947 1.00 0.00 C ATOM 1038 CG GLU A 85 2.227 9.846 1.459 1.00 0.00 C ATOM 1039 CD GLU A 85 2.607 8.384 1.292 1.00 0.00 C ATOM 1040 OE1 GLU A 85 2.001 7.524 1.972 1.00 0.00 O ATOM 1041 OE2 GLU A 85 3.524 8.097 0.497 1.00 0.00 O ATOM 0 H GLU A 85 -1.530 10.535 2.438 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.070 10.479 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.715 11.071 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.608 9.376 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.355 10.356 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.915 10.312 2.164 1.00 0.00 H new ATOM 1048 N THR A 86 -0.648 7.510 1.353 1.00 0.00 N ATOM 1049 CA THR A 86 -0.616 6.081 1.084 1.00 0.00 C ATOM 1050 C THR A 86 -1.652 5.688 0.034 1.00 0.00 C ATOM 1051 O THR A 86 -1.434 4.761 -0.754 1.00 0.00 O ATOM 1052 CB THR A 86 -0.835 5.290 2.385 1.00 0.00 C ATOM 1053 OG1 THR A 86 0.101 5.743 3.375 1.00 0.00 O ATOM 1054 CG2 THR A 86 -0.659 3.795 2.161 1.00 0.00 C ATOM 0 H THR A 86 -0.909 7.749 2.310 1.00 0.00 H new ATOM 0 HA THR A 86 0.368 5.835 0.684 1.00 0.00 H new ATOM 0 HB THR A 86 -1.856 5.461 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.802 6.274 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.820 3.265 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.381 3.450 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.351 3.597 1.802 1.00 0.00 H new ATOM 1062 N LYS A 87 -2.769 6.407 0.007 1.00 0.00 N ATOM 1063 CA LYS A 87 -3.778 6.187 -1.018 1.00 0.00 C ATOM 1064 C LYS A 87 -3.225 6.526 -2.390 1.00 0.00 C ATOM 1065 O LYS A 87 -3.570 5.887 -3.380 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.036 7.011 -0.751 1.00 0.00 C ATOM 1067 CG LYS A 87 -5.873 6.459 0.382 1.00 0.00 C ATOM 1068 CD LYS A 87 -7.228 7.137 0.459 1.00 0.00 C ATOM 1069 CE LYS A 87 -8.095 6.515 1.539 1.00 0.00 C ATOM 1070 NZ LYS A 87 -9.490 7.029 1.495 1.00 0.00 N ATOM 0 H LYS A 87 -2.996 7.141 0.678 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.048 5.131 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.750 8.037 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.640 7.047 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.010 5.386 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.344 6.595 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.094 8.199 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.732 7.059 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.103 5.432 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.662 6.724 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.152 6.256 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.604 7.786 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.691 7.406 0.547 1.00 0.00 H new ATOM 1084 N LYS A 88 -2.360 7.525 -2.442 1.00 0.00 N ATOM 1085 CA LYS A 88 -1.726 7.909 -3.687 1.00 0.00 C ATOM 1086 C LYS A 88 -0.681 6.889 -4.110 1.00 0.00 C ATOM 1087 O LYS A 88 -0.597 6.549 -5.286 1.00 0.00 O ATOM 1088 CB LYS A 88 -1.104 9.303 -3.584 1.00 0.00 C ATOM 1089 CG LYS A 88 -2.100 10.424 -3.828 1.00 0.00 C ATOM 1090 CD LYS A 88 -2.750 10.283 -5.194 1.00 0.00 C ATOM 1091 CE LYS A 88 -3.768 11.378 -5.449 1.00 0.00 C ATOM 1092 NZ LYS A 88 -4.495 11.164 -6.727 1.00 0.00 N ATOM 0 H LYS A 88 -2.082 8.084 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.501 7.938 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.665 9.425 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.291 9.385 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.866 10.410 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.594 11.387 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.982 10.314 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.237 9.310 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.481 11.411 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.265 12.345 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.182 11.932 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.817 11.157 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.996 10.253 -6.693 1.00 0.00 H new ATOM 1106 N VAL A 89 0.107 6.392 -3.160 1.00 0.00 N ATOM 1107 CA VAL A 89 1.147 5.417 -3.479 1.00 0.00 C ATOM 1108 C VAL A 89 0.533 4.171 -4.104 1.00 0.00 C ATOM 1109 O VAL A 89 0.863 3.801 -5.233 1.00 0.00 O ATOM 1110 CB VAL A 89 1.959 4.968 -2.249 1.00 0.00 C ATOM 1111 CG1 VAL A 89 3.372 4.590 -2.659 1.00 0.00 C ATOM 1112 CG2 VAL A 89 1.982 6.034 -1.181 1.00 0.00 C ATOM 0 H VAL A 89 0.047 6.644 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 89 1.819 5.922 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 89 1.469 4.091 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.934 4.275 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.336 3.772 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.862 5.451 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.564 5.683 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.436 6.940 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.963 6.250 -0.861 1.00 0.00 H new ATOM 1122 N LEU A 90 -0.380 3.545 -3.367 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.004 2.304 -3.807 1.00 0.00 C ATOM 1124 C LEU A 90 -1.736 2.497 -5.133 1.00 0.00 C ATOM 1125 O LEU A 90 -1.683 1.635 -6.009 1.00 0.00 O ATOM 1126 CB LEU A 90 -1.974 1.778 -2.738 1.00 0.00 C ATOM 1127 CG LEU A 90 -1.340 1.413 -1.388 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -2.388 0.857 -0.440 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.207 0.413 -1.578 1.00 0.00 C ATOM 0 H LEU A 90 -0.704 3.879 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.214 1.568 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.741 2.533 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.478 0.896 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.925 2.320 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.920 0.604 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.163 1.605 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.834 -0.038 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.228 0.168 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.596 -0.494 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.559 0.848 -2.220 1.00 0.00 H new ATOM 1141 N ALA A 91 -2.394 3.640 -5.280 1.00 0.00 N ATOM 1142 CA ALA A 91 -3.166 3.929 -6.480 1.00 0.00 C ATOM 1143 C ALA A 91 -2.261 4.223 -7.675 1.00 0.00 C ATOM 1144 O ALA A 91 -2.487 3.710 -8.769 1.00 0.00 O ATOM 1145 CB ALA A 91 -4.115 5.091 -6.232 1.00 0.00 C ATOM 0 H ALA A 91 -2.408 4.383 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.750 3.041 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.685 5.295 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.799 4.836 -5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.542 5.976 -5.957 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.234 5.039 -7.465 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.344 5.436 -8.552 1.00 0.00 C ATOM 1153 C PHE A 92 0.464 4.252 -9.069 1.00 0.00 C ATOM 1154 O PHE A 92 0.574 4.054 -10.277 1.00 0.00 O ATOM 1155 CB PHE A 92 0.606 6.552 -8.109 1.00 0.00 C ATOM 1156 CG PHE A 92 1.542 7.006 -9.196 1.00 0.00 C ATOM 1157 CD1 PHE A 92 1.097 7.852 -10.199 1.00 0.00 C ATOM 1158 CD2 PHE A 92 2.861 6.582 -9.220 1.00 0.00 C ATOM 1159 CE1 PHE A 92 1.949 8.266 -11.205 1.00 0.00 C ATOM 1160 CE2 PHE A 92 3.718 6.994 -10.223 1.00 0.00 C ATOM 1161 CZ PHE A 92 3.260 7.836 -11.217 1.00 0.00 C ATOM 0 H PHE A 92 -0.997 5.438 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.974 5.808 -9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.019 7.404 -7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.191 6.204 -7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.072 8.192 -10.194 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.224 5.922 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.589 8.925 -11.981 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.744 6.658 -10.229 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.927 8.158 -12.003 1.00 0.00 H new ATOM 1171 N VAL A 93 1.036 3.472 -8.158 1.00 0.00 N ATOM 1172 CA VAL A 93 1.838 2.320 -8.552 1.00 0.00 C ATOM 1173 C VAL A 93 0.984 1.326 -9.332 1.00 0.00 C ATOM 1174 O VAL A 93 1.405 0.817 -10.372 1.00 0.00 O ATOM 1175 CB VAL A 93 2.497 1.622 -7.341 1.00 0.00 C ATOM 1176 CG1 VAL A 93 3.336 0.438 -7.795 1.00 0.00 C ATOM 1177 CG2 VAL A 93 3.362 2.606 -6.569 1.00 0.00 C ATOM 0 H VAL A 93 0.960 3.614 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 93 2.642 2.688 -9.190 1.00 0.00 H new ATOM 0 HB VAL A 93 1.706 1.257 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.791 -0.039 -6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.701 -0.281 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.118 0.784 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.819 2.099 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.143 2.995 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.745 3.430 -6.211 1.00 0.00 H new ATOM 1187 N ALA A 94 -0.222 1.065 -8.832 1.00 0.00 N ATOM 1188 CA ALA A 94 -1.169 0.211 -9.535 1.00 0.00 C ATOM 1189 C ALA A 94 -1.493 0.787 -10.910 1.00 0.00 C ATOM 1190 O ALA A 94 -1.497 0.065 -11.903 1.00 0.00 O ATOM 1191 CB ALA A 94 -2.439 0.035 -8.716 1.00 0.00 C ATOM 0 H ALA A 94 -0.563 1.433 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.711 -0.768 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.135 -0.606 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.194 -0.423 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.900 1.008 -8.545 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.753 2.092 -10.958 1.00 0.00 N ATOM 1198 CA GLU A 95 -2.035 2.785 -12.211 1.00 0.00 C ATOM 1199 C GLU A 95 -0.898 2.604 -13.211 1.00 0.00 C ATOM 1200 O GLU A 95 -1.119 2.152 -14.337 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.259 4.279 -11.960 1.00 0.00 C ATOM 1202 CG GLU A 95 -2.679 5.048 -13.202 1.00 0.00 C ATOM 1203 CD GLU A 95 -2.735 6.547 -12.979 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -3.679 7.022 -12.311 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -1.841 7.262 -13.484 1.00 0.00 O ATOM 0 H GLU A 95 -1.774 2.694 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.941 2.348 -12.630 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.023 4.399 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.341 4.715 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.980 4.832 -14.010 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.659 4.697 -13.526 1.00 0.00 H new ATOM 1212 N ASP A 96 0.316 2.941 -12.787 1.00 0.00 N ATOM 1213 CA ASP A 96 1.476 2.923 -13.674 1.00 0.00 C ATOM 1214 C ASP A 96 1.796 1.508 -14.155 1.00 0.00 C ATOM 1215 O ASP A 96 2.204 1.306 -15.301 1.00 0.00 O ATOM 1216 CB ASP A 96 2.694 3.533 -12.979 1.00 0.00 C ATOM 1217 CG ASP A 96 3.877 3.682 -13.917 1.00 0.00 C ATOM 1218 OD1 ASP A 96 3.978 4.731 -14.592 1.00 0.00 O ATOM 1219 OD2 ASP A 96 4.704 2.752 -13.990 1.00 0.00 O ATOM 0 H ASP A 96 0.523 3.231 -11.831 1.00 0.00 H new ATOM 0 HA ASP A 96 1.229 3.525 -14.548 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.428 4.510 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.980 2.906 -12.134 1.00 0.00 H new ATOM 1224 N ARG A 97 1.586 0.525 -13.293 1.00 0.00 N ATOM 1225 CA ARG A 97 1.841 -0.861 -13.661 1.00 0.00 C ATOM 1226 C ARG A 97 0.744 -1.364 -14.600 1.00 0.00 C ATOM 1227 O ARG A 97 0.980 -2.223 -15.452 1.00 0.00 O ATOM 1228 CB ARG A 97 1.916 -1.744 -12.409 1.00 0.00 C ATOM 1229 CG ARG A 97 2.741 -3.007 -12.605 1.00 0.00 C ATOM 1230 CD ARG A 97 2.771 -3.865 -11.349 1.00 0.00 C ATOM 1231 NE ARG A 97 1.528 -4.612 -11.163 1.00 0.00 N ATOM 1232 CZ ARG A 97 1.212 -5.292 -10.062 1.00 0.00 C ATOM 1233 NH1 ARG A 97 2.016 -5.278 -9.003 1.00 0.00 N ATOM 1234 NH2 ARG A 97 0.085 -5.995 -10.028 1.00 0.00 N ATOM 0 H ARG A 97 1.243 0.658 -12.342 1.00 0.00 H new ATOM 0 HA ARG A 97 2.799 -0.914 -14.178 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.343 -1.164 -11.590 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.906 -2.022 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.328 -3.586 -13.431 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.759 -2.736 -12.884 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.607 -4.562 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.945 -3.230 -10.481 1.00 0.00 H new ATOM 0 HE ARG A 97 0.856 -4.612 -11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.884 -4.743 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.765 -5.802 -8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.531 -6.011 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.164 -6.519 -9.189 1.00 0.00 H new ATOM 1248 N ALA A 98 -0.448 -0.796 -14.459 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.606 -1.249 -15.215 1.00 0.00 C ATOM 1250 C ALA A 98 -1.677 -0.634 -16.607 1.00 0.00 C ATOM 1251 O ALA A 98 -1.741 -1.359 -17.594 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.884 -0.949 -14.455 1.00 0.00 C ATOM 0 H ALA A 98 -0.637 -0.019 -13.826 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.496 -2.326 -15.341 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.741 -1.294 -15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.865 -1.463 -13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.966 0.125 -14.291 1.00 0.00 H new ATOM 1258 N ARG A 99 -1.653 0.695 -16.692 1.00 0.00 N ATOM 1259 CA ARG A 99 -1.902 1.388 -17.962 1.00 0.00 C ATOM 1260 C ARG A 99 -0.917 0.956 -19.056 1.00 0.00 C ATOM 1261 O ARG A 99 -1.203 1.088 -20.246 1.00 0.00 O ATOM 1262 CB ARG A 99 -1.931 2.924 -17.771 1.00 0.00 C ATOM 1263 CG ARG A 99 -0.595 3.659 -17.881 1.00 0.00 C ATOM 1264 CD ARG A 99 0.446 3.127 -16.916 1.00 0.00 C ATOM 1265 NE ARG A 99 1.549 4.065 -16.656 1.00 0.00 N ATOM 1266 CZ ARG A 99 2.383 4.573 -17.573 1.00 0.00 C ATOM 1267 NH1 ARG A 99 2.181 4.385 -18.874 1.00 0.00 N ATOM 1268 NH2 ARG A 99 3.429 5.284 -17.177 1.00 0.00 N ATOM 0 H ARG A 99 -1.465 1.314 -15.903 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.892 1.090 -18.306 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.612 3.345 -18.511 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.355 3.136 -16.790 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.219 3.570 -18.900 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.752 4.721 -17.691 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.040 2.881 -15.972 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.857 2.199 -17.314 1.00 0.00 H new ATOM 0 HE ARG A 99 1.692 4.355 -15.689 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.377 3.844 -19.192 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.830 4.782 -19.553 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.593 5.440 -16.182 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.070 5.675 -17.867 1.00 0.00 H new ATOM 1282 N GLN A 100 0.247 0.456 -18.647 1.00 0.00 N ATOM 1283 CA GLN A 100 1.240 -0.048 -19.588 1.00 0.00 C ATOM 1284 C GLN A 100 0.913 -1.471 -20.054 1.00 0.00 C ATOM 1285 O GLN A 100 0.867 -1.742 -21.254 1.00 0.00 O ATOM 1286 CB GLN A 100 2.636 -0.028 -18.957 1.00 0.00 C ATOM 1287 CG GLN A 100 3.185 1.370 -18.734 1.00 0.00 C ATOM 1288 CD GLN A 100 4.550 1.369 -18.074 1.00 0.00 C ATOM 1289 OE1 GLN A 100 5.578 1.314 -18.750 1.00 0.00 O ATOM 1290 NE2 GLN A 100 4.575 1.442 -16.755 1.00 0.00 N ATOM 0 H GLN A 100 0.524 0.390 -17.668 1.00 0.00 H new ATOM 0 HA GLN A 100 1.221 0.609 -20.457 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.601 -0.552 -18.002 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.323 -0.581 -19.598 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.250 1.886 -19.692 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.488 1.934 -18.115 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.702 1.486 -16.230 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.468 1.454 -16.262 1.00 0.00 H new ATOM 1299 N SER A 101 0.689 -2.374 -19.105 1.00 0.00 N ATOM 1300 CA SER A 101 0.560 -3.796 -19.419 1.00 0.00 C ATOM 1301 C SER A 101 -0.901 -4.271 -19.440 1.00 0.00 C ATOM 1302 O SER A 101 -1.339 -4.911 -20.398 1.00 0.00 O ATOM 1303 CB SER A 101 1.369 -4.618 -18.406 1.00 0.00 C ATOM 1304 OG SER A 101 1.311 -6.007 -18.683 1.00 0.00 O ATOM 0 H SER A 101 0.593 -2.149 -18.115 1.00 0.00 H new ATOM 0 HA SER A 101 0.952 -3.946 -20.425 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.408 -4.289 -18.419 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.988 -4.432 -17.402 1.00 0.00 H new ATOM 0 HG SER A 101 1.839 -6.496 -18.018 1.00 0.00 H new ATOM 1310 N LYS A 102 -1.650 -3.946 -18.394 1.00 0.00 N ATOM 1311 CA LYS A 102 -2.961 -4.552 -18.173 1.00 0.00 C ATOM 1312 C LYS A 102 -4.102 -3.728 -18.780 1.00 0.00 C ATOM 1313 O LYS A 102 -5.065 -4.307 -19.287 1.00 0.00 O ATOM 1314 CB LYS A 102 -3.183 -4.736 -16.666 1.00 0.00 C ATOM 1315 CG LYS A 102 -4.504 -5.397 -16.302 1.00 0.00 C ATOM 1316 CD LYS A 102 -4.648 -6.773 -16.941 1.00 0.00 C ATOM 1317 CE LYS A 102 -3.583 -7.745 -16.456 1.00 0.00 C ATOM 1318 NZ LYS A 102 -3.671 -7.995 -14.993 1.00 0.00 N ATOM 0 H LYS A 102 -1.374 -3.267 -17.685 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.970 -5.518 -18.678 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.367 -5.335 -16.261 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.133 -3.761 -16.182 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.576 -5.491 -15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.329 -4.760 -16.622 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.635 -7.176 -16.715 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.584 -6.677 -18.025 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.686 -8.689 -16.990 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.596 -7.349 -16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.480 -8.999 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.970 -7.408 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.625 -7.753 -14.656 1.00 0.00 H new ATOM 1332 N LYS A 103 -3.954 -2.394 -18.725 1.00 0.00 N ATOM 1333 CA LYS A 103 -4.972 -1.396 -19.134 1.00 0.00 C ATOM 1334 C LYS A 103 -5.786 -0.871 -17.929 1.00 0.00 C ATOM 1335 O LYS A 103 -5.610 0.289 -17.551 1.00 0.00 O ATOM 1336 CB LYS A 103 -5.892 -1.877 -20.276 1.00 0.00 C ATOM 1337 CG LYS A 103 -5.183 -2.123 -21.607 1.00 0.00 C ATOM 1338 CD LYS A 103 -5.011 -0.850 -22.430 1.00 0.00 C ATOM 1339 CE LYS A 103 -4.051 0.139 -21.785 1.00 0.00 C ATOM 1340 NZ LYS A 103 -3.805 1.320 -22.654 1.00 0.00 N ATOM 0 H LYS A 103 -3.096 -1.960 -18.384 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.406 -0.559 -19.543 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.382 -2.800 -19.965 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.676 -1.136 -20.429 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.204 -2.562 -21.416 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.751 -2.851 -22.187 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.645 -1.111 -23.423 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.982 -0.374 -22.563 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.458 0.470 -20.830 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.105 -0.359 -21.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.146 1.969 -22.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.393 1.007 -23.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.704 1.810 -22.836 1.00 0.00 H new ATOM 1354 N PRO A 104 -6.678 -1.674 -17.287 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.432 -1.216 -16.118 1.00 0.00 C ATOM 1356 C PRO A 104 -6.591 -1.234 -14.847 1.00 0.00 C ATOM 1357 O PRO A 104 -6.052 -2.272 -14.458 1.00 0.00 O ATOM 1358 CB PRO A 104 -8.594 -2.217 -15.994 1.00 0.00 C ATOM 1359 CG PRO A 104 -8.470 -3.136 -17.162 1.00 0.00 C ATOM 1360 CD PRO A 104 -7.046 -3.050 -17.622 1.00 0.00 C ATOM 0 HA PRO A 104 -7.762 -0.184 -16.241 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.536 -2.768 -15.056 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.555 -1.703 -16.002 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.726 -4.158 -16.881 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.154 -2.844 -17.959 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.412 -3.774 -17.111 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.954 -3.244 -18.691 1.00 0.00 H new ATOM 1368 N ILE A 105 -6.482 -0.080 -14.204 1.00 0.00 N ATOM 1369 CA ILE A 105 -5.725 0.047 -12.972 1.00 0.00 C ATOM 1370 C ILE A 105 -6.335 -0.811 -11.862 1.00 0.00 C ATOM 1371 O ILE A 105 -5.620 -1.417 -11.062 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.584 1.532 -12.544 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -6.927 2.172 -12.164 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -4.942 2.326 -13.670 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -7.250 2.097 -10.684 1.00 0.00 C ATOM 0 H ILE A 105 -6.914 0.788 -14.521 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.718 -0.328 -13.157 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.955 1.553 -11.654 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.919 3.218 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.723 1.681 -12.724 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.843 3.369 -13.369 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.956 1.916 -13.888 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.566 2.263 -14.561 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -8.214 2.571 -10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.292 1.053 -10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.476 2.613 -10.116 1.00 0.00 H new ATOM 1387 N GLN A 106 -7.664 -0.857 -11.827 1.00 0.00 N ATOM 1388 CA GLN A 106 -8.393 -1.626 -10.827 1.00 0.00 C ATOM 1389 C GLN A 106 -8.000 -3.104 -10.880 1.00 0.00 C ATOM 1390 O GLN A 106 -7.869 -3.757 -9.845 1.00 0.00 O ATOM 1391 CB GLN A 106 -9.896 -1.479 -11.064 1.00 0.00 C ATOM 1392 CG GLN A 106 -10.692 -1.124 -9.819 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.544 -2.146 -8.711 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -11.289 -3.126 -8.651 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.607 -1.909 -7.813 1.00 0.00 N ATOM 0 H GLN A 106 -8.263 -0.364 -12.489 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.138 -1.241 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.060 -0.709 -11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.281 -2.413 -11.473 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.368 -0.150 -9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.746 -1.031 -10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.012 -1.085 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.477 -2.550 -7.030 1.00 0.00 H new ATOM 1404 N ASP A 107 -7.796 -3.610 -12.093 1.00 0.00 N ATOM 1405 CA ASP A 107 -7.432 -5.012 -12.302 1.00 0.00 C ATOM 1406 C ASP A 107 -6.123 -5.334 -11.588 1.00 0.00 C ATOM 1407 O ASP A 107 -6.001 -6.356 -10.908 1.00 0.00 O ATOM 1408 CB ASP A 107 -7.294 -5.302 -13.802 1.00 0.00 C ATOM 1409 CG ASP A 107 -7.142 -6.781 -14.118 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -6.040 -7.334 -13.926 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -8.123 -7.389 -14.595 1.00 0.00 O ATOM 0 H ASP A 107 -7.877 -3.067 -12.953 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.220 -5.641 -11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.170 -4.915 -14.322 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.429 -4.764 -14.191 1.00 0.00 H new ATOM 1416 N GLU A 108 -5.154 -4.439 -11.727 1.00 0.00 N ATOM 1417 CA GLU A 108 -3.857 -4.621 -11.097 1.00 0.00 C ATOM 1418 C GLU A 108 -3.945 -4.435 -9.587 1.00 0.00 C ATOM 1419 O GLU A 108 -3.272 -5.139 -8.833 1.00 0.00 O ATOM 1420 CB GLU A 108 -2.830 -3.663 -11.695 1.00 0.00 C ATOM 1421 CG GLU A 108 -2.355 -4.082 -13.076 1.00 0.00 C ATOM 1422 CD GLU A 108 -1.688 -5.441 -13.061 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -0.484 -5.511 -12.752 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -2.369 -6.448 -13.342 1.00 0.00 O ATOM 0 H GLU A 108 -5.243 -3.581 -12.271 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.533 -5.644 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.265 -2.665 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.971 -3.597 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.204 -4.103 -13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.655 -3.339 -13.459 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.786 -3.507 -9.142 1.00 0.00 N ATOM 1432 CA LEU A 109 -4.966 -3.287 -7.713 1.00 0.00 C ATOM 1433 C LEU A 109 -5.574 -4.524 -7.068 1.00 0.00 C ATOM 1434 O LEU A 109 -5.189 -4.905 -5.966 1.00 0.00 O ATOM 1435 CB LEU A 109 -5.851 -2.073 -7.425 1.00 0.00 C ATOM 1436 CG LEU A 109 -6.014 -1.757 -5.935 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -4.706 -1.245 -5.350 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -7.134 -0.759 -5.710 1.00 0.00 C ATOM 0 H LEU A 109 -5.347 -2.902 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.982 -3.091 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.429 -1.202 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.836 -2.244 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 109 -6.281 -2.680 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.842 -1.026 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.933 -2.005 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.405 -0.337 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.228 -0.552 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -6.909 0.166 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.071 -1.173 -6.084 1.00 0.00 H new ATOM 1450 N ASP A 110 -6.521 -5.149 -7.761 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.136 -6.380 -7.275 1.00 0.00 C ATOM 1452 C ASP A 110 -6.075 -7.451 -7.063 1.00 0.00 C ATOM 1453 O ASP A 110 -6.074 -8.147 -6.050 1.00 0.00 O ATOM 1454 CB ASP A 110 -8.195 -6.888 -8.257 1.00 0.00 C ATOM 1455 CG ASP A 110 -8.854 -8.173 -7.787 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -9.789 -8.099 -6.961 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -8.442 -9.260 -8.239 1.00 0.00 O ATOM 0 H ASP A 110 -6.879 -4.824 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.622 -6.162 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.957 -6.121 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.733 -7.055 -9.230 1.00 0.00 H new ATOM 1462 N ALA A 111 -5.156 -7.553 -8.019 1.00 0.00 N ATOM 1463 CA ALA A 111 -4.044 -8.492 -7.923 1.00 0.00 C ATOM 1464 C ALA A 111 -3.158 -8.165 -6.722 1.00 0.00 C ATOM 1465 O ALA A 111 -2.707 -9.059 -6.012 1.00 0.00 O ATOM 1466 CB ALA A 111 -3.228 -8.476 -9.206 1.00 0.00 C ATOM 0 H ALA A 111 -5.160 -6.994 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.452 -9.493 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.401 -9.181 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.863 -8.761 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.834 -7.474 -9.374 1.00 0.00 H new ATOM 1472 N ILE A 112 -2.921 -6.876 -6.501 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.155 -6.420 -5.346 1.00 0.00 C ATOM 1474 C ILE A 112 -2.877 -6.783 -4.050 1.00 0.00 C ATOM 1475 O ILE A 112 -2.288 -7.354 -3.134 1.00 0.00 O ATOM 1476 CB ILE A 112 -1.920 -4.893 -5.394 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.078 -4.523 -6.620 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -1.250 -4.408 -4.116 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -0.886 -3.032 -6.803 1.00 0.00 C ATOM 0 H ILE A 112 -3.250 -6.126 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.187 -6.921 -5.376 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.888 -4.398 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.101 -4.998 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.553 -4.931 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.095 -3.331 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.886 -4.638 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.288 -4.907 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.280 -2.849 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.857 -2.552 -6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -0.382 -2.620 -5.929 1.00 0.00 H new ATOM 1491 N THR A 113 -4.160 -6.461 -3.996 1.00 0.00 N ATOM 1492 CA THR A 113 -4.983 -6.760 -2.835 1.00 0.00 C ATOM 1493 C THR A 113 -4.993 -8.269 -2.562 1.00 0.00 C ATOM 1494 O THR A 113 -4.908 -8.709 -1.410 1.00 0.00 O ATOM 1495 CB THR A 113 -6.425 -6.243 -3.037 1.00 0.00 C ATOM 1496 OG1 THR A 113 -6.397 -4.912 -3.575 1.00 0.00 O ATOM 1497 CG2 THR A 113 -7.189 -6.218 -1.725 1.00 0.00 C ATOM 0 H THR A 113 -4.657 -5.988 -4.751 1.00 0.00 H new ATOM 0 HA THR A 113 -4.554 -6.250 -1.972 1.00 0.00 H new ATOM 0 HB THR A 113 -6.926 -6.921 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.272 -4.954 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.200 -5.850 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.236 -7.226 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.680 -5.561 -1.020 1.00 0.00 H new ATOM 1505 N GLU A 114 -5.084 -9.053 -3.634 1.00 0.00 N ATOM 1506 CA GLU A 114 -5.021 -10.508 -3.541 1.00 0.00 C ATOM 1507 C GLU A 114 -3.659 -10.958 -3.009 1.00 0.00 C ATOM 1508 O GLU A 114 -3.577 -11.878 -2.201 1.00 0.00 O ATOM 1509 CB GLU A 114 -5.281 -11.135 -4.913 1.00 0.00 C ATOM 1510 CG GLU A 114 -5.398 -12.650 -4.883 1.00 0.00 C ATOM 1511 CD GLU A 114 -5.558 -13.251 -6.264 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -6.647 -13.105 -6.863 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -4.602 -13.879 -6.756 1.00 0.00 O ATOM 0 H GLU A 114 -5.203 -8.700 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.791 -10.841 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.200 -10.717 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.473 -10.856 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.511 -13.070 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.252 -12.932 -4.267 1.00 0.00 H new ATOM 1520 N LYS A 115 -2.600 -10.298 -3.477 1.00 0.00 N ATOM 1521 CA LYS A 115 -1.231 -10.597 -3.051 1.00 0.00 C ATOM 1522 C LYS A 115 -1.118 -10.643 -1.525 1.00 0.00 C ATOM 1523 O LYS A 115 -0.551 -11.584 -0.972 1.00 0.00 O ATOM 1524 CB LYS A 115 -0.266 -9.552 -3.623 1.00 0.00 C ATOM 1525 CG LYS A 115 1.161 -9.659 -3.104 1.00 0.00 C ATOM 1526 CD LYS A 115 1.843 -10.941 -3.551 1.00 0.00 C ATOM 1527 CE LYS A 115 3.288 -10.984 -3.084 1.00 0.00 C ATOM 1528 NZ LYS A 115 3.998 -12.195 -3.566 1.00 0.00 N ATOM 0 H LYS A 115 -2.665 -9.543 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.965 -11.582 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.252 -9.645 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.649 -8.558 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.737 -8.803 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.153 -9.615 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 115 1.304 -11.801 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.807 -11.016 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 115 3.809 -10.095 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.317 -10.958 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.980 -12.181 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 3.518 -13.045 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 3.995 -12.209 -4.606 1.00 0.00 H new ATOM 1542 N LEU A 116 -1.666 -9.636 -0.850 1.00 0.00 N ATOM 1543 CA LEU A 116 -1.641 -9.604 0.613 1.00 0.00 C ATOM 1544 C LEU A 116 -2.423 -10.775 1.193 1.00 0.00 C ATOM 1545 O LEU A 116 -2.010 -11.380 2.180 1.00 0.00 O ATOM 1546 CB LEU A 116 -2.217 -8.300 1.162 1.00 0.00 C ATOM 1547 CG LEU A 116 -1.337 -7.049 1.018 1.00 0.00 C ATOM 1548 CD1 LEU A 116 0.094 -7.339 1.445 1.00 0.00 C ATOM 1549 CD2 LEU A 116 -1.377 -6.497 -0.396 1.00 0.00 C ATOM 0 H LEU A 116 -2.129 -8.838 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.595 -9.676 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.166 -8.109 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.437 -8.443 2.220 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.744 -6.285 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.697 -6.438 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.105 -7.657 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.507 -8.131 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.743 -5.613 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.015 -7.254 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.402 -6.228 -0.653 1.00 0.00 H new ATOM 1561 N ALA A 117 -3.554 -11.092 0.577 1.00 0.00 N ATOM 1562 CA ALA A 117 -4.360 -12.227 1.005 1.00 0.00 C ATOM 1563 C ALA A 117 -3.557 -13.519 0.895 1.00 0.00 C ATOM 1564 O ALA A 117 -3.648 -14.403 1.745 1.00 0.00 O ATOM 1565 CB ALA A 117 -5.636 -12.315 0.183 1.00 0.00 C ATOM 0 H ALA A 117 -3.933 -10.580 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.637 -12.082 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.226 -13.169 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.216 -11.401 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.383 -12.438 -0.870 1.00 0.00 H new ATOM 1571 N LYS A 118 -2.760 -13.605 -0.158 1.00 0.00 N ATOM 1572 CA LYS A 118 -1.887 -14.748 -0.377 1.00 0.00 C ATOM 1573 C LYS A 118 -0.758 -14.778 0.652 1.00 0.00 C ATOM 1574 O LYS A 118 -0.087 -15.794 0.814 1.00 0.00 O ATOM 1575 CB LYS A 118 -1.308 -14.713 -1.793 1.00 0.00 C ATOM 1576 CG LYS A 118 -2.369 -14.686 -2.884 1.00 0.00 C ATOM 1577 CD LYS A 118 -1.754 -14.752 -4.270 1.00 0.00 C ATOM 1578 CE LYS A 118 -1.100 -16.101 -4.522 1.00 0.00 C ATOM 1579 NZ LYS A 118 -2.087 -17.215 -4.497 1.00 0.00 N ATOM 0 H LYS A 118 -2.700 -12.889 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.481 -15.654 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -0.672 -13.834 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -0.672 -15.586 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.051 -15.525 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.962 -13.776 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.524 -14.573 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.013 -13.960 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.597 -16.085 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -0.334 -16.279 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.667 -18.061 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.349 -17.425 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.936 -16.938 -5.029 1.00 0.00 H new ATOM 1593 N LEU A 119 -0.543 -13.660 1.343 1.00 0.00 N ATOM 1594 CA LEU A 119 0.495 -13.589 2.369 1.00 0.00 C ATOM 1595 C LEU A 119 -0.054 -13.988 3.741 1.00 0.00 C ATOM 1596 O LEU A 119 0.468 -13.566 4.774 1.00 0.00 O ATOM 1597 CB LEU A 119 1.090 -12.178 2.427 1.00 0.00 C ATOM 1598 CG LEU A 119 1.828 -11.734 1.162 1.00 0.00 C ATOM 1599 CD1 LEU A 119 2.381 -10.329 1.330 1.00 0.00 C ATOM 1600 CD2 LEU A 119 2.949 -12.710 0.829 1.00 0.00 C ATOM 0 H LEU A 119 -1.070 -12.796 1.212 1.00 0.00 H new ATOM 0 HA LEU A 119 1.281 -14.295 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.287 -11.469 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.780 -12.125 3.269 1.00 0.00 H new ATOM 0 HG LEU A 119 1.117 -11.727 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.902 -10.032 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.562 -9.636 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.077 -10.310 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.463 -12.379 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.657 -12.747 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.530 -13.703 0.665 1.00 0.00 H new ATOM 1612 N GLU A 120 -1.091 -14.826 3.730 1.00 0.00 N ATOM 1613 CA GLU A 120 -1.716 -15.347 4.953 1.00 0.00 C ATOM 1614 C GLU A 120 -2.441 -14.264 5.743 1.00 0.00 C ATOM 1615 O GLU A 120 -2.593 -14.380 6.960 1.00 0.00 O ATOM 1616 CB GLU A 120 -0.697 -16.048 5.864 1.00 0.00 C ATOM 1617 CG GLU A 120 -0.386 -17.484 5.474 1.00 0.00 C ATOM 1618 CD GLU A 120 0.478 -17.594 4.238 1.00 0.00 C ATOM 1619 OE1 GLU A 120 1.696 -17.325 4.335 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -0.041 -17.975 3.174 1.00 0.00 O ATOM 0 H GLU A 120 -1.525 -15.166 2.872 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.452 -16.078 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.230 -15.475 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.074 -16.036 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.117 -17.978 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.321 -18.018 5.304 1.00 0.00 H new