USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 726 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 40 TYR OH : rot 109:sc= -1.18 USER MOD Set 1.2: A 43 GLN : amide:sc= -1.07 K(o=-2.3,f=0.12) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.658 USER MOD Set 2.2: A 15 ASN : amide:sc= -0.313 X(o=-1.7,f=-1.3) USER MOD Set 2.3: A 44 GLN : amide:sc= -0.754 K(o=-1.7,f=-3.3!) USER MOD Single : A 1 HIS : no HD1:sc= 0.00518 X(o=0.0052,f=-0.38) USER MOD Single : A 1 HIS N :NH3+ 163:sc= 0.0327 (180deg=0.00543) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.95! C(o=-1.9!,f=-1.9!) USER MOD Single : A 16 SER OG : rot 72:sc= 0.34 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 27 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.02) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -140:sc= 0.388 (180deg=-1.64!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 69:sc= -1.91 USER MOD Single : A 70 ASN : amide:sc= -3.45! K(o=-3.5!,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.816 X(o=-0.82,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -86:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= -0.738 K(o=-0.74,f=-2!) USER MOD Single : A 82 TYR OH : rot -51:sc= 1.29 USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= -0.0307 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -15.201 -8.336 20.995 1.00 23.33 N ATOM 2 CA HIS A 1 -15.072 -6.972 21.495 1.00 41.12 C ATOM 3 C HIS A 1 -13.640 -6.469 21.336 1.00 22.53 C ATOM 4 O HIS A 1 -12.924 -6.288 22.321 1.00 3.43 O ATOM 5 CB HIS A 1 -15.489 -6.902 22.963 1.00 32.10 C ATOM 6 CG HIS A 1 -16.973 -6.836 23.162 1.00 72.22 C ATOM 7 ND1 HIS A 1 -17.822 -7.876 22.843 1.00 22.41 N ATOM 8 CD2 HIS A 1 -17.758 -5.847 23.651 1.00 60.52 C ATOM 9 CE1 HIS A 1 -19.064 -7.528 23.127 1.00 73.40 C ATOM 10 NE2 HIS A 1 -19.053 -6.303 23.618 1.00 72.04 N ATOM 0 H1 HIS A 1 -16.077 -8.759 21.363 1.00 23.33 H new ATOM 0 H2 HIS A 1 -15.233 -8.323 19.956 1.00 23.33 H new ATOM 0 H3 HIS A 1 -14.386 -8.900 21.310 1.00 23.33 H new ATOM 0 HA HIS A 1 -15.731 -6.332 20.908 1.00 41.12 H new ATOM 0 HB2 HIS A 1 -15.099 -7.776 23.485 1.00 32.10 H new ATOM 0 HB3 HIS A 1 -15.030 -6.026 23.421 1.00 32.10 H new ATOM 0 HD2 HIS A 1 -17.428 -4.880 24.001 1.00 60.52 H new ATOM 0 HE1 HIS A 1 -19.941 -8.142 22.982 1.00 73.40 H new ATOM 0 HE2 HIS A 1 -19.873 -5.780 23.924 1.00 72.04 H new ATOM 19 N MET A 2 -13.229 -6.249 20.092 1.00 15.11 N ATOM 20 CA MET A 2 -11.883 -5.767 19.807 1.00 21.03 C ATOM 21 C MET A 2 -11.873 -4.885 18.561 1.00 72.42 C ATOM 22 O MET A 2 -12.815 -4.904 17.769 1.00 3.34 O ATOM 23 CB MET A 2 -10.925 -6.945 19.618 1.00 22.43 C ATOM 24 CG MET A 2 -9.524 -6.679 20.144 1.00 42.51 C ATOM 25 SD MET A 2 -8.786 -8.129 20.920 1.00 61.33 S ATOM 26 CE MET A 2 -7.743 -7.358 22.156 1.00 34.34 C ATOM 0 H MET A 2 -13.808 -6.397 19.266 1.00 15.11 H new ATOM 0 HA MET A 2 -11.551 -5.170 20.657 1.00 21.03 H new ATOM 0 HB2 MET A 2 -11.334 -7.820 20.123 1.00 22.43 H new ATOM 0 HB3 MET A 2 -10.866 -7.188 18.557 1.00 22.43 H new ATOM 0 HG2 MET A 2 -8.888 -6.348 19.322 1.00 42.51 H new ATOM 0 HG3 MET A 2 -9.560 -5.864 20.867 1.00 42.51 H new ATOM 0 HE1 MET A 2 -7.218 -8.128 22.721 1.00 34.34 H new ATOM 0 HE2 MET A 2 -7.017 -6.709 21.666 1.00 34.34 H new ATOM 0 HE3 MET A 2 -8.359 -6.767 22.834 1.00 34.34 H new ATOM 36 N LYS A 3 -10.804 -4.114 18.396 1.00 54.34 N ATOM 37 CA LYS A 3 -10.671 -3.227 17.247 1.00 51.34 C ATOM 38 C LYS A 3 -10.481 -4.025 15.961 1.00 54.14 C ATOM 39 O LYS A 3 -10.009 -5.161 15.990 1.00 44.43 O ATOM 40 CB LYS A 3 -9.491 -2.273 17.446 1.00 34.42 C ATOM 41 CG LYS A 3 -8.143 -2.973 17.487 1.00 2.10 C ATOM 42 CD LYS A 3 -7.021 -2.004 17.817 1.00 24.23 C ATOM 43 CE LYS A 3 -5.692 -2.725 17.985 1.00 41.32 C ATOM 44 NZ LYS A 3 -4.621 -2.112 17.153 1.00 23.32 N ATOM 0 H LYS A 3 -10.017 -4.086 19.044 1.00 54.34 H new ATOM 0 HA LYS A 3 -11.590 -2.647 17.161 1.00 51.34 H new ATOM 0 HB2 LYS A 3 -9.486 -1.541 16.639 1.00 34.42 H new ATOM 0 HB3 LYS A 3 -9.633 -1.722 18.375 1.00 34.42 H new ATOM 0 HG2 LYS A 3 -8.168 -3.769 18.231 1.00 2.10 H new ATOM 0 HG3 LYS A 3 -7.947 -3.443 16.523 1.00 2.10 H new ATOM 0 HD2 LYS A 3 -6.935 -1.261 17.024 1.00 24.23 H new ATOM 0 HD3 LYS A 3 -7.262 -1.465 18.733 1.00 24.23 H new ATOM 0 HE2 LYS A 3 -5.396 -2.701 19.034 1.00 41.32 H new ATOM 0 HE3 LYS A 3 -5.810 -3.773 17.711 1.00 41.32 H new ATOM 0 HZ1 LYS A 3 -3.731 -2.631 17.295 1.00 23.32 H new ATOM 0 HZ2 LYS A 3 -4.892 -2.157 16.150 1.00 23.32 H new ATOM 0 HZ3 LYS A 3 -4.490 -1.119 17.432 1.00 23.32 H new ATOM 58 N GLU A 4 -10.850 -3.423 14.835 1.00 43.52 N ATOM 59 CA GLU A 4 -10.719 -4.079 13.539 1.00 64.32 C ATOM 60 C GLU A 4 -10.043 -3.157 12.528 1.00 54.23 C ATOM 61 O GLU A 4 -10.693 -2.620 11.631 1.00 22.24 O ATOM 62 CB GLU A 4 -12.092 -4.507 13.018 1.00 43.04 C ATOM 63 CG GLU A 4 -12.966 -5.165 14.073 1.00 30.00 C ATOM 64 CD GLU A 4 -13.844 -6.261 13.504 1.00 54.34 C ATOM 65 OE1 GLU A 4 -14.654 -5.965 12.600 1.00 71.21 O ATOM 66 OE2 GLU A 4 -13.720 -7.417 13.960 1.00 70.10 O ATOM 0 H GLU A 4 -11.242 -2.482 14.794 1.00 43.52 H new ATOM 0 HA GLU A 4 -10.096 -4.964 13.670 1.00 64.32 H new ATOM 0 HB2 GLU A 4 -12.610 -3.633 12.623 1.00 43.04 H new ATOM 0 HB3 GLU A 4 -11.956 -5.200 12.187 1.00 43.04 H new ATOM 0 HG2 GLU A 4 -12.332 -5.582 14.855 1.00 30.00 H new ATOM 0 HG3 GLU A 4 -13.595 -4.408 14.542 1.00 30.00 H new ATOM 73 N ARG A 5 -8.735 -2.979 12.679 1.00 64.40 N ATOM 74 CA ARG A 5 -7.972 -2.120 11.782 1.00 23.11 C ATOM 75 C ARG A 5 -6.840 -2.899 11.117 1.00 21.33 C ATOM 76 O ARG A 5 -6.421 -3.957 11.588 1.00 74.21 O ATOM 77 CB ARG A 5 -7.402 -0.925 12.547 1.00 4.31 C ATOM 78 CG ARG A 5 -8.241 0.337 12.419 1.00 60.55 C ATOM 79 CD ARG A 5 -7.375 1.586 12.439 1.00 61.04 C ATOM 80 NE ARG A 5 -7.193 2.147 11.103 1.00 1.31 N ATOM 81 CZ ARG A 5 -8.123 2.854 10.470 1.00 22.14 C ATOM 82 NH1 ARG A 5 -9.292 3.087 11.050 1.00 1.30 N ATOM 83 NH2 ARG A 5 -7.883 3.332 9.256 1.00 41.41 N ATOM 0 H ARG A 5 -8.181 -3.418 13.414 1.00 64.40 H new ATOM 0 HA ARG A 5 -8.646 -1.757 11.006 1.00 23.11 H new ATOM 0 HB2 ARG A 5 -7.315 -1.188 13.601 1.00 4.31 H new ATOM 0 HB3 ARG A 5 -6.395 -0.720 12.185 1.00 4.31 H new ATOM 0 HG2 ARG A 5 -8.811 0.303 11.491 1.00 60.55 H new ATOM 0 HG3 ARG A 5 -8.962 0.380 13.235 1.00 60.55 H new ATOM 0 HD2 ARG A 5 -7.832 2.334 13.087 1.00 61.04 H new ATOM 0 HD3 ARG A 5 -6.402 1.346 12.867 1.00 61.04 H new ATOM 0 HE ARG A 5 -6.303 1.987 10.630 1.00 1.31 H new ATOM 0 HH11 ARG A 5 -9.479 2.723 11.984 1.00 1.30 H new ATOM 0 HH12 ARG A 5 -10.004 3.630 10.562 1.00 1.30 H new ATOM 0 HH21 ARG A 5 -6.984 3.157 8.808 1.00 41.41 H new ATOM 0 HH22 ARG A 5 -8.598 3.875 8.771 1.00 41.41 H new ATOM 97 N PRO A 6 -6.332 -2.365 9.997 1.00 3.40 N ATOM 98 CA PRO A 6 -5.242 -2.993 9.244 1.00 12.04 C ATOM 99 C PRO A 6 -3.914 -2.934 9.990 1.00 71.54 C ATOM 100 O PRO A 6 -3.763 -2.225 10.983 1.00 20.40 O ATOM 101 CB PRO A 6 -5.172 -2.160 7.962 1.00 5.23 C ATOM 102 CG PRO A 6 -5.729 -0.831 8.342 1.00 30.13 C ATOM 103 CD PRO A 6 -6.782 -1.105 9.379 1.00 63.30 C ATOM 0 HA PRO A 6 -5.424 -4.054 9.071 1.00 12.04 H new ATOM 0 HB2 PRO A 6 -4.147 -2.071 7.603 1.00 5.23 H new ATOM 0 HB3 PRO A 6 -5.752 -2.618 7.160 1.00 5.23 H new ATOM 0 HG2 PRO A 6 -4.950 -0.180 8.739 1.00 30.13 H new ATOM 0 HG3 PRO A 6 -6.156 -0.325 7.476 1.00 30.13 H new ATOM 0 HD2 PRO A 6 -6.846 -0.299 10.110 1.00 63.30 H new ATOM 0 HD3 PRO A 6 -7.770 -1.208 8.931 1.00 63.30 H new ATOM 111 N PRO A 7 -2.927 -3.700 9.502 1.00 32.03 N ATOM 112 CA PRO A 7 -1.593 -3.754 10.107 1.00 62.10 C ATOM 113 C PRO A 7 -0.815 -2.455 9.913 1.00 74.13 C ATOM 114 O PRO A 7 -1.205 -1.581 9.139 1.00 2.25 O ATOM 115 CB PRO A 7 -0.910 -4.903 9.361 1.00 61.00 C ATOM 116 CG PRO A 7 -1.612 -4.973 8.049 1.00 54.14 C ATOM 117 CD PRO A 7 -3.036 -4.573 8.320 1.00 34.12 C ATOM 0 HA PRO A 7 -1.641 -3.898 11.186 1.00 62.10 H new ATOM 0 HB2 PRO A 7 0.155 -4.712 9.230 1.00 61.00 H new ATOM 0 HB3 PRO A 7 -1.001 -5.841 9.909 1.00 61.00 H new ATOM 0 HG2 PRO A 7 -1.150 -4.304 7.323 1.00 54.14 H new ATOM 0 HG3 PRO A 7 -1.562 -5.979 7.633 1.00 54.14 H new ATOM 0 HD2 PRO A 7 -3.474 -4.047 7.471 1.00 34.12 H new ATOM 0 HD3 PRO A 7 -3.666 -5.440 8.518 1.00 34.12 H new ATOM 125 N PRO A 8 0.310 -2.326 10.629 1.00 23.33 N ATOM 126 CA PRO A 8 1.166 -1.138 10.552 1.00 72.33 C ATOM 127 C PRO A 8 1.889 -1.031 9.214 1.00 73.25 C ATOM 128 O PRO A 8 1.737 -1.890 8.345 1.00 40.42 O ATOM 129 CB PRO A 8 2.170 -1.350 11.688 1.00 30.15 C ATOM 130 CG PRO A 8 2.217 -2.825 11.882 1.00 41.23 C ATOM 131 CD PRO A 8 0.835 -3.329 11.572 1.00 44.41 C ATOM 0 HA PRO A 8 0.592 -0.215 10.639 1.00 72.33 H new ATOM 0 HB2 PRO A 8 3.151 -0.954 11.428 1.00 30.15 H new ATOM 0 HB3 PRO A 8 1.852 -0.841 12.598 1.00 30.15 H new ATOM 0 HG2 PRO A 8 2.956 -3.282 11.223 1.00 41.23 H new ATOM 0 HG3 PRO A 8 2.503 -3.075 12.904 1.00 41.23 H new ATOM 0 HD2 PRO A 8 0.860 -4.324 11.128 1.00 44.41 H new ATOM 0 HD3 PRO A 8 0.221 -3.397 12.470 1.00 44.41 H new ATOM 139 N VAL A 9 2.677 0.027 9.055 1.00 53.01 N ATOM 140 CA VAL A 9 3.427 0.244 7.824 1.00 52.31 C ATOM 141 C VAL A 9 4.335 -0.940 7.518 1.00 45.42 C ATOM 142 O VAL A 9 4.921 -1.553 8.411 1.00 5.41 O ATOM 143 CB VAL A 9 4.279 1.526 7.904 1.00 73.24 C ATOM 144 CG1 VAL A 9 3.405 2.759 7.737 1.00 50.34 C ATOM 145 CG2 VAL A 9 5.041 1.575 9.219 1.00 41.31 C ATOM 0 H VAL A 9 2.813 0.748 9.764 1.00 53.01 H new ATOM 0 HA VAL A 9 2.696 0.353 7.023 1.00 52.31 H new ATOM 0 HB VAL A 9 5.004 1.513 7.090 1.00 73.24 H new ATOM 0 HG11 VAL A 9 4.024 3.654 7.796 1.00 50.34 H new ATOM 0 HG12 VAL A 9 2.909 2.725 6.767 1.00 50.34 H new ATOM 0 HG13 VAL A 9 2.655 2.783 8.528 1.00 50.34 H new ATOM 0 HG21 VAL A 9 5.638 2.486 9.260 1.00 41.31 H new ATOM 0 HG22 VAL A 9 4.335 1.566 10.049 1.00 41.31 H new ATOM 0 HG23 VAL A 9 5.697 0.708 9.292 1.00 41.31 H new ATOM 155 N PRO A 10 4.461 -1.271 6.223 1.00 32.15 N ATOM 156 CA PRO A 10 5.299 -2.385 5.767 1.00 22.23 C ATOM 157 C PRO A 10 6.787 -2.097 5.938 1.00 0.11 C ATOM 158 O PRO A 10 7.497 -1.856 4.963 1.00 64.50 O ATOM 159 CB PRO A 10 4.946 -2.511 4.284 1.00 32.11 C ATOM 160 CG PRO A 10 4.471 -1.154 3.890 1.00 63.53 C ATOM 161 CD PRO A 10 3.793 -0.585 5.105 1.00 1.42 C ATOM 0 HA PRO A 10 5.117 -3.294 6.341 1.00 22.23 H new ATOM 0 HB2 PRO A 10 5.812 -2.813 3.695 1.00 32.11 H new ATOM 0 HB3 PRO A 10 4.173 -3.263 4.124 1.00 32.11 H new ATOM 0 HG2 PRO A 10 5.304 -0.524 3.577 1.00 63.53 H new ATOM 0 HG3 PRO A 10 3.781 -1.211 3.048 1.00 63.53 H new ATOM 0 HD2 PRO A 10 3.918 0.496 5.165 1.00 1.42 H new ATOM 0 HD3 PRO A 10 2.721 -0.782 5.096 1.00 1.42 H new ATOM 169 N ASN A 11 7.251 -2.125 7.183 1.00 13.20 N ATOM 170 CA ASN A 11 8.656 -1.868 7.482 1.00 12.43 C ATOM 171 C ASN A 11 9.208 -0.765 6.584 1.00 3.42 C ATOM 172 O ASN A 11 9.832 -1.022 5.554 1.00 42.22 O ATOM 173 CB ASN A 11 9.478 -3.145 7.305 1.00 62.11 C ATOM 174 CG ASN A 11 9.040 -3.952 6.097 1.00 64.05 C ATOM 175 OD1 ASN A 11 8.155 -4.803 6.193 1.00 1.33 O ATOM 176 ND2 ASN A 11 9.661 -3.689 4.953 1.00 73.41 N ATOM 0 H ASN A 11 6.675 -2.323 8.001 1.00 13.20 H new ATOM 0 HA ASN A 11 8.728 -1.539 8.519 1.00 12.43 H new ATOM 0 HB2 ASN A 11 10.531 -2.884 7.202 1.00 62.11 H new ATOM 0 HB3 ASN A 11 9.388 -3.759 8.201 1.00 62.11 H new ATOM 0 HD21 ASN A 11 9.410 -4.201 4.107 1.00 73.41 H new ATOM 0 HD22 ASN A 11 10.389 -2.975 4.920 1.00 73.41 H new ATOM 183 N PRO A 12 8.976 0.495 6.981 1.00 11.42 N ATOM 184 CA PRO A 12 9.442 1.662 6.227 1.00 24.32 C ATOM 185 C PRO A 12 10.958 1.820 6.285 1.00 11.50 C ATOM 186 O PRO A 12 11.569 1.657 7.342 1.00 53.11 O ATOM 187 CB PRO A 12 8.756 2.837 6.931 1.00 63.31 C ATOM 188 CG PRO A 12 8.502 2.352 8.318 1.00 44.23 C ATOM 189 CD PRO A 12 8.239 0.876 8.198 1.00 14.03 C ATOM 0 HA PRO A 12 9.203 1.584 5.166 1.00 24.32 H new ATOM 0 HB2 PRO A 12 9.391 3.723 6.932 1.00 63.31 H new ATOM 0 HB3 PRO A 12 7.827 3.110 6.431 1.00 63.31 H new ATOM 0 HG2 PRO A 12 9.360 2.545 8.962 1.00 44.23 H new ATOM 0 HG3 PRO A 12 7.649 2.866 8.761 1.00 44.23 H new ATOM 0 HD2 PRO A 12 8.598 0.332 9.072 1.00 14.03 H new ATOM 0 HD3 PRO A 12 7.174 0.664 8.105 1.00 14.03 H new ATOM 197 N ASP A 13 11.559 2.139 5.143 1.00 75.22 N ATOM 198 CA ASP A 13 13.003 2.321 5.064 1.00 61.02 C ATOM 199 C ASP A 13 13.348 3.611 4.327 1.00 71.00 C ATOM 200 O ASP A 13 14.052 3.593 3.317 1.00 61.51 O ATOM 201 CB ASP A 13 13.650 1.128 4.359 1.00 40.11 C ATOM 202 CG ASP A 13 13.857 -0.052 5.289 1.00 1.21 C ATOM 203 OD1 ASP A 13 12.851 -0.588 5.799 1.00 25.00 O ATOM 204 OD2 ASP A 13 15.025 -0.438 5.505 1.00 74.12 O ATOM 0 H ASP A 13 11.068 2.277 4.260 1.00 75.22 H new ATOM 0 HA ASP A 13 13.393 2.389 6.080 1.00 61.02 H new ATOM 0 HB2 ASP A 13 13.023 0.821 3.521 1.00 40.11 H new ATOM 0 HB3 ASP A 13 14.611 1.432 3.944 1.00 40.11 H new ATOM 210 N TYR A 14 12.848 4.731 4.838 1.00 24.41 N ATOM 211 CA TYR A 14 13.101 6.030 4.229 1.00 2.41 C ATOM 212 C TYR A 14 14.027 6.871 5.102 1.00 32.23 C ATOM 213 O TYR A 14 14.510 7.923 4.681 1.00 62.20 O ATOM 214 CB TYR A 14 11.784 6.773 3.998 1.00 45.00 C ATOM 215 CG TYR A 14 10.824 6.680 5.162 1.00 5.44 C ATOM 216 CD1 TYR A 14 11.177 7.159 6.418 1.00 13.11 C ATOM 217 CD2 TYR A 14 9.565 6.115 5.006 1.00 32.42 C ATOM 218 CE1 TYR A 14 10.303 7.077 7.485 1.00 1.32 C ATOM 219 CE2 TYR A 14 8.684 6.029 6.067 1.00 22.21 C ATOM 220 CZ TYR A 14 9.058 6.511 7.304 1.00 75.23 C ATOM 221 OH TYR A 14 8.184 6.427 8.364 1.00 71.24 O ATOM 0 H TYR A 14 12.264 4.764 5.674 1.00 24.41 H new ATOM 0 HA TYR A 14 13.590 5.864 3.269 1.00 2.41 H new ATOM 0 HB2 TYR A 14 11.999 7.823 3.798 1.00 45.00 H new ATOM 0 HB3 TYR A 14 11.301 6.371 3.107 1.00 45.00 H new ATOM 0 HD1 TYR A 14 12.151 7.603 6.562 1.00 13.11 H new ATOM 0 HD2 TYR A 14 9.269 5.736 4.039 1.00 32.42 H new ATOM 0 HE1 TYR A 14 10.593 7.454 8.455 1.00 1.32 H new ATOM 0 HE2 TYR A 14 7.708 5.587 5.929 1.00 22.21 H new ATOM 0 HH TYR A 14 7.351 6.004 8.068 1.00 71.24 H new ATOM 231 N ASN A 15 14.270 6.402 6.321 1.00 73.33 N ATOM 232 CA ASN A 15 15.136 7.110 7.255 1.00 51.13 C ATOM 233 C ASN A 15 16.468 6.382 7.419 1.00 24.14 C ATOM 234 O ASN A 15 16.516 5.152 7.451 1.00 13.33 O ATOM 235 CB ASN A 15 14.449 7.252 8.614 1.00 60.04 C ATOM 236 CG ASN A 15 14.220 8.701 8.998 1.00 64.31 C ATOM 237 OD1 ASN A 15 13.134 9.074 9.440 1.00 52.12 O ATOM 238 ND2 ASN A 15 15.248 9.526 8.829 1.00 11.31 N ATOM 0 H ASN A 15 13.879 5.533 6.685 1.00 73.33 H new ATOM 0 HA ASN A 15 15.331 8.103 6.850 1.00 51.13 H new ATOM 0 HB2 ASN A 15 13.493 6.730 8.591 1.00 60.04 H new ATOM 0 HB3 ASN A 15 15.058 6.768 9.378 1.00 60.04 H new ATOM 0 HD21 ASN A 15 15.155 10.513 9.069 1.00 11.31 H new ATOM 0 HD22 ASN A 15 16.130 9.172 8.459 1.00 11.31 H new ATOM 245 N SER A 16 17.547 7.152 7.525 1.00 34.41 N ATOM 246 CA SER A 16 18.879 6.580 7.684 1.00 64.53 C ATOM 247 C SER A 16 19.866 7.634 8.176 1.00 63.11 C ATOM 248 O SER A 16 21.041 7.625 7.803 1.00 73.25 O ATOM 249 CB SER A 16 19.365 5.989 6.358 1.00 61.42 C ATOM 250 OG SER A 16 19.819 7.006 5.483 1.00 72.23 O ATOM 0 H SER A 16 17.525 8.172 7.504 1.00 34.41 H new ATOM 0 HA SER A 16 18.821 5.785 8.428 1.00 64.53 H new ATOM 0 HB2 SER A 16 20.171 5.280 6.546 1.00 61.42 H new ATOM 0 HB3 SER A 16 18.555 5.433 5.885 1.00 61.42 H new ATOM 0 HG SER A 16 20.670 7.364 5.811 1.00 72.23 H new ATOM 256 N LEU A 17 19.383 8.542 9.016 1.00 61.32 N ATOM 257 CA LEU A 17 20.222 9.604 9.560 1.00 31.20 C ATOM 258 C LEU A 17 20.867 10.417 8.443 1.00 34.42 C ATOM 259 O LEU A 17 21.960 10.096 7.977 1.00 15.34 O ATOM 260 CB LEU A 17 21.305 9.012 10.466 1.00 53.30 C ATOM 261 CG LEU A 17 21.131 9.253 11.966 1.00 41.44 C ATOM 262 CD1 LEU A 17 21.232 10.737 12.283 1.00 34.01 C ATOM 263 CD2 LEU A 17 19.799 8.692 12.445 1.00 62.12 C ATOM 0 H LEU A 17 18.415 8.564 9.335 1.00 61.32 H new ATOM 0 HA LEU A 17 19.588 10.268 10.147 1.00 31.20 H new ATOM 0 HB2 LEU A 17 21.347 7.937 10.294 1.00 53.30 H new ATOM 0 HB3 LEU A 17 22.268 9.421 10.162 1.00 53.30 H new ATOM 0 HG LEU A 17 21.932 8.735 12.494 1.00 41.44 H new ATOM 0 HD11 LEU A 17 21.106 10.890 13.355 1.00 34.01 H new ATOM 0 HD12 LEU A 17 22.210 11.109 11.976 1.00 34.01 H new ATOM 0 HD13 LEU A 17 20.453 11.278 11.745 1.00 34.01 H new ATOM 0 HD21 LEU A 17 19.692 8.872 13.515 1.00 62.12 H new ATOM 0 HD22 LEU A 17 18.985 9.182 11.911 1.00 62.12 H new ATOM 0 HD23 LEU A 17 19.766 7.620 12.253 1.00 62.12 H new ATOM 275 N LYS A 18 20.181 11.473 8.016 1.00 52.43 N ATOM 276 CA LYS A 18 20.686 12.336 6.955 1.00 65.12 C ATOM 277 C LYS A 18 20.074 13.729 7.049 1.00 42.22 C ATOM 278 O LYS A 18 18.862 13.877 7.209 1.00 42.40 O ATOM 279 CB LYS A 18 20.383 11.725 5.585 1.00 32.53 C ATOM 280 CG LYS A 18 21.128 12.392 4.442 1.00 14.34 C ATOM 281 CD LYS A 18 20.644 11.890 3.092 1.00 4.30 C ATOM 282 CE LYS A 18 19.465 12.706 2.583 1.00 35.34 C ATOM 283 NZ LYS A 18 19.611 13.052 1.142 1.00 34.14 N ATOM 0 H LYS A 18 19.273 11.751 8.389 1.00 52.43 H new ATOM 0 HA LYS A 18 21.766 12.424 7.076 1.00 65.12 H new ATOM 0 HB2 LYS A 18 20.639 10.666 5.605 1.00 32.53 H new ATOM 0 HB3 LYS A 18 19.311 11.791 5.396 1.00 32.53 H new ATOM 0 HG2 LYS A 18 20.992 13.472 4.499 1.00 14.34 H new ATOM 0 HG3 LYS A 18 22.196 12.199 4.541 1.00 14.34 H new ATOM 0 HD2 LYS A 18 21.460 11.939 2.371 1.00 4.30 H new ATOM 0 HD3 LYS A 18 20.354 10.843 3.175 1.00 4.30 H new ATOM 0 HE2 LYS A 18 18.543 12.143 2.730 1.00 35.34 H new ATOM 0 HE3 LYS A 18 19.376 13.621 3.169 1.00 35.34 H new ATOM 0 HZ1 LYS A 18 18.788 13.608 0.833 1.00 34.14 H new ATOM 0 HZ2 LYS A 18 20.477 13.611 1.005 1.00 34.14 H new ATOM 0 HZ3 LYS A 18 19.670 12.179 0.580 1.00 34.14 H new ATOM 297 N LYS A 19 20.919 14.750 6.947 1.00 23.11 N ATOM 298 CA LYS A 19 20.462 16.132 7.019 1.00 12.41 C ATOM 299 C LYS A 19 19.845 16.570 5.694 1.00 61.11 C ATOM 300 O LYS A 19 20.298 16.166 4.623 1.00 64.12 O ATOM 301 CB LYS A 19 21.625 17.059 7.381 1.00 63.33 C ATOM 302 CG LYS A 19 21.956 17.066 8.864 1.00 74.03 C ATOM 303 CD LYS A 19 22.438 18.432 9.320 1.00 64.55 C ATOM 304 CE LYS A 19 21.916 18.773 10.708 1.00 73.25 C ATOM 305 NZ LYS A 19 22.522 20.024 11.238 1.00 1.54 N ATOM 0 H LYS A 19 21.925 14.645 6.814 1.00 23.11 H new ATOM 0 HA LYS A 19 19.700 16.195 7.795 1.00 12.41 H new ATOM 0 HB2 LYS A 19 22.509 16.755 6.821 1.00 63.33 H new ATOM 0 HB3 LYS A 19 21.382 18.074 7.066 1.00 63.33 H new ATOM 0 HG2 LYS A 19 21.073 16.781 9.436 1.00 74.03 H new ATOM 0 HG3 LYS A 19 22.724 16.321 9.070 1.00 74.03 H new ATOM 0 HD2 LYS A 19 23.528 18.451 9.325 1.00 64.55 H new ATOM 0 HD3 LYS A 19 22.109 19.191 8.610 1.00 64.55 H new ATOM 0 HE2 LYS A 19 20.832 18.882 10.671 1.00 73.25 H new ATOM 0 HE3 LYS A 19 22.130 17.949 11.389 1.00 73.25 H new ATOM 0 HZ1 LYS A 19 22.140 20.221 12.185 1.00 1.54 H new ATOM 0 HZ2 LYS A 19 23.554 19.912 11.298 1.00 1.54 H new ATOM 0 HZ3 LYS A 19 22.296 20.816 10.602 1.00 1.54 H new ATOM 319 N GLY A 20 18.809 17.399 5.773 1.00 13.41 N ATOM 320 CA GLY A 20 18.147 17.879 4.573 1.00 22.42 C ATOM 321 C GLY A 20 16.883 17.104 4.259 1.00 41.23 C ATOM 322 O GLY A 20 16.654 16.027 4.810 1.00 13.41 O ATOM 0 H GLY A 20 18.416 17.747 6.647 1.00 13.41 H new ATOM 0 HA2 GLY A 20 17.902 18.934 4.694 1.00 22.42 H new ATOM 0 HA3 GLY A 20 18.833 17.806 3.729 1.00 22.42 H new ATOM 326 N SER A 21 16.059 17.653 3.372 1.00 24.34 N ATOM 327 CA SER A 21 14.808 17.009 2.990 1.00 32.02 C ATOM 328 C SER A 21 14.338 17.502 1.625 1.00 10.41 C ATOM 329 O SER A 21 14.139 16.712 0.701 1.00 0.42 O ATOM 330 CB SER A 21 13.729 17.280 4.041 1.00 73.34 C ATOM 331 OG SER A 21 13.956 18.514 4.699 1.00 33.12 O ATOM 0 H SER A 21 16.235 18.542 2.905 1.00 24.34 H new ATOM 0 HA SER A 21 14.985 15.935 2.928 1.00 32.02 H new ATOM 0 HB2 SER A 21 12.749 17.293 3.565 1.00 73.34 H new ATOM 0 HB3 SER A 21 13.718 16.471 4.772 1.00 73.34 H new ATOM 0 HG SER A 21 13.252 18.664 5.364 1.00 33.12 H new ATOM 337 N LEU A 22 14.164 18.814 1.504 1.00 30.34 N ATOM 338 CA LEU A 22 13.717 19.414 0.252 1.00 5.34 C ATOM 339 C LEU A 22 14.675 19.076 -0.886 1.00 53.02 C ATOM 340 O LEU A 22 15.800 19.573 -0.935 1.00 61.32 O ATOM 341 CB LEU A 22 13.605 20.933 0.404 1.00 24.04 C ATOM 342 CG LEU A 22 12.384 21.442 1.170 1.00 53.44 C ATOM 343 CD1 LEU A 22 12.423 22.957 1.289 1.00 21.15 C ATOM 344 CD2 LEU A 22 11.100 20.992 0.487 1.00 32.54 C ATOM 0 H LEU A 22 14.326 19.482 2.258 1.00 30.34 H new ATOM 0 HA LEU A 22 12.736 19.005 0.011 1.00 5.34 H new ATOM 0 HB2 LEU A 22 14.502 21.295 0.907 1.00 24.04 H new ATOM 0 HB3 LEU A 22 13.596 21.378 -0.591 1.00 24.04 H new ATOM 0 HG LEU A 22 12.406 21.018 2.174 1.00 53.44 H new ATOM 0 HD11 LEU A 22 11.546 23.302 1.837 1.00 21.15 H new ATOM 0 HD12 LEU A 22 13.325 23.257 1.822 1.00 21.15 H new ATOM 0 HD13 LEU A 22 12.426 23.400 0.293 1.00 21.15 H new ATOM 0 HD21 LEU A 22 10.241 21.363 1.046 1.00 32.54 H new ATOM 0 HD22 LEU A 22 11.070 21.387 -0.528 1.00 32.54 H new ATOM 0 HD23 LEU A 22 11.068 19.903 0.454 1.00 32.54 H new ATOM 356 N VAL A 23 14.219 18.226 -1.801 1.00 0.32 N ATOM 357 CA VAL A 23 15.033 17.822 -2.942 1.00 0.14 C ATOM 358 C VAL A 23 14.923 18.830 -4.080 1.00 52.21 C ATOM 359 O VAL A 23 15.875 19.041 -4.834 1.00 33.53 O ATOM 360 CB VAL A 23 14.622 16.431 -3.460 1.00 11.23 C ATOM 361 CG1 VAL A 23 14.781 15.386 -2.367 1.00 2.44 C ATOM 362 CG2 VAL A 23 13.194 16.459 -3.982 1.00 71.25 C ATOM 0 H VAL A 23 13.291 17.804 -1.774 1.00 0.32 H new ATOM 0 HA VAL A 23 16.066 17.782 -2.596 1.00 0.14 H new ATOM 0 HB VAL A 23 15.280 16.159 -4.285 1.00 11.23 H new ATOM 0 HG11 VAL A 23 14.486 14.410 -2.751 1.00 2.44 H new ATOM 0 HG12 VAL A 23 15.822 15.350 -2.046 1.00 2.44 H new ATOM 0 HG13 VAL A 23 14.149 15.648 -1.518 1.00 2.44 H new ATOM 0 HG21 VAL A 23 12.920 15.468 -4.344 1.00 71.25 H new ATOM 0 HG22 VAL A 23 12.518 16.752 -3.178 1.00 71.25 H new ATOM 0 HG23 VAL A 23 13.119 17.177 -4.798 1.00 71.25 H new ATOM 372 N LYS A 24 13.754 19.454 -4.200 1.00 44.11 N ATOM 373 CA LYS A 24 13.519 20.442 -5.246 1.00 61.40 C ATOM 374 C LYS A 24 13.642 19.812 -6.628 1.00 55.12 C ATOM 375 O LYS A 24 14.136 18.694 -6.769 1.00 13.22 O ATOM 376 CB LYS A 24 14.510 21.602 -5.112 1.00 13.23 C ATOM 377 CG LYS A 24 13.943 22.940 -5.556 1.00 74.05 C ATOM 378 CD LYS A 24 14.687 24.100 -4.917 1.00 32.21 C ATOM 379 CE LYS A 24 14.088 25.438 -5.322 1.00 14.02 C ATOM 380 NZ LYS A 24 14.500 26.532 -4.401 1.00 4.03 N ATOM 0 H LYS A 24 12.956 19.292 -3.586 1.00 44.11 H new ATOM 0 HA LYS A 24 12.504 20.823 -5.130 1.00 61.40 H new ATOM 0 HB2 LYS A 24 14.828 21.679 -4.072 1.00 13.23 H new ATOM 0 HB3 LYS A 24 15.399 21.380 -5.702 1.00 13.23 H new ATOM 0 HG2 LYS A 24 14.005 23.020 -6.641 1.00 74.05 H new ATOM 0 HG3 LYS A 24 12.887 22.994 -5.292 1.00 74.05 H new ATOM 0 HD2 LYS A 24 14.656 24.000 -3.832 1.00 32.21 H new ATOM 0 HD3 LYS A 24 15.736 24.066 -5.210 1.00 32.21 H new ATOM 0 HE2 LYS A 24 14.399 25.682 -6.338 1.00 14.02 H new ATOM 0 HE3 LYS A 24 13.001 25.361 -5.331 1.00 14.02 H new ATOM 0 HZ1 LYS A 24 14.071 27.427 -4.711 1.00 4.03 H new ATOM 0 HZ2 LYS A 24 14.181 26.312 -3.436 1.00 4.03 H new ATOM 0 HZ3 LYS A 24 15.536 26.623 -4.411 1.00 4.03 H new ATOM 394 N ASN A 25 13.188 20.536 -7.647 1.00 20.11 N ATOM 395 CA ASN A 25 13.247 20.046 -9.019 1.00 40.41 C ATOM 396 C ASN A 25 12.399 18.790 -9.187 1.00 62.31 C ATOM 397 O ASN A 25 11.853 18.262 -8.216 1.00 14.53 O ATOM 398 CB ASN A 25 14.695 19.754 -9.415 1.00 44.35 C ATOM 399 CG ASN A 25 15.664 20.792 -8.879 1.00 12.34 C ATOM 400 OD1 ASN A 25 16.590 20.468 -8.136 1.00 72.25 O ATOM 401 ND2 ASN A 25 15.452 22.048 -9.253 1.00 53.53 N ATOM 0 H ASN A 25 12.775 21.464 -7.548 1.00 20.11 H new ATOM 0 HA ASN A 25 12.847 20.821 -9.672 1.00 40.41 H new ATOM 0 HB2 ASN A 25 14.979 18.770 -9.042 1.00 44.35 H new ATOM 0 HB3 ASN A 25 14.771 19.717 -10.502 1.00 44.35 H new ATOM 0 HD21 ASN A 25 16.070 22.790 -8.923 1.00 53.53 H new ATOM 0 HD22 ASN A 25 14.672 22.271 -9.871 1.00 53.53 H new ATOM 408 N LEU A 26 12.295 18.312 -10.421 1.00 11.44 N ATOM 409 CA LEU A 26 11.514 17.117 -10.717 1.00 21.32 C ATOM 410 C LEU A 26 12.312 16.143 -11.576 1.00 41.35 C ATOM 411 O LEU A 26 13.512 16.324 -11.785 1.00 62.22 O ATOM 412 CB LEU A 26 10.214 17.495 -11.428 1.00 54.43 C ATOM 413 CG LEU A 26 10.360 18.033 -12.853 1.00 45.04 C ATOM 414 CD1 LEU A 26 9.288 17.447 -13.757 1.00 74.05 C ATOM 415 CD2 LEU A 26 10.294 19.552 -12.860 1.00 34.13 C ATOM 0 H LEU A 26 12.743 18.734 -11.234 1.00 11.44 H new ATOM 0 HA LEU A 26 11.275 16.628 -9.773 1.00 21.32 H new ATOM 0 HB2 LEU A 26 9.570 16.616 -11.457 1.00 54.43 H new ATOM 0 HB3 LEU A 26 9.700 18.246 -10.828 1.00 54.43 H new ATOM 0 HG LEU A 26 11.335 17.731 -13.236 1.00 45.04 H new ATOM 0 HD11 LEU A 26 9.408 17.841 -14.766 1.00 74.05 H new ATOM 0 HD12 LEU A 26 9.383 16.361 -13.778 1.00 74.05 H new ATOM 0 HD13 LEU A 26 8.303 17.718 -13.376 1.00 74.05 H new ATOM 0 HD21 LEU A 26 10.400 19.916 -13.882 1.00 34.13 H new ATOM 0 HD22 LEU A 26 9.335 19.876 -12.457 1.00 34.13 H new ATOM 0 HD23 LEU A 26 11.100 19.954 -12.246 1.00 34.13 H new ATOM 427 N HIS A 27 11.638 15.111 -12.074 1.00 65.20 N ATOM 428 CA HIS A 27 12.285 14.110 -12.914 1.00 43.21 C ATOM 429 C HIS A 27 11.350 13.646 -14.026 1.00 12.32 C ATOM 430 O HIS A 27 11.602 13.892 -15.205 1.00 1.32 O ATOM 431 CB HIS A 27 12.726 12.912 -12.071 1.00 22.35 C ATOM 432 CG HIS A 27 14.203 12.859 -11.830 1.00 4.11 C ATOM 433 ND1 HIS A 27 14.755 12.530 -10.610 1.00 3.30 N ATOM 434 CD2 HIS A 27 15.244 13.094 -12.662 1.00 11.42 C ATOM 435 CE1 HIS A 27 16.073 12.567 -10.702 1.00 14.01 C ATOM 436 NE2 HIS A 27 16.395 12.906 -11.938 1.00 25.45 N ATOM 0 H HIS A 27 10.645 14.946 -11.910 1.00 65.20 H new ATOM 0 HA HIS A 27 13.163 14.568 -13.369 1.00 43.21 H new ATOM 0 HB2 HIS A 27 12.211 12.945 -11.111 1.00 22.35 H new ATOM 0 HB3 HIS A 27 12.414 11.994 -12.569 1.00 22.35 H new ATOM 0 HD2 HIS A 27 15.181 13.377 -13.702 1.00 11.42 H new ATOM 0 HE1 HIS A 27 16.768 12.356 -9.903 1.00 14.01 H new ATOM 0 HE2 HIS A 27 17.344 13.011 -12.296 1.00 25.45 H new ATOM 445 N MET A 28 10.269 12.974 -13.642 1.00 21.14 N ATOM 446 CA MET A 28 9.296 12.477 -14.608 1.00 15.31 C ATOM 447 C MET A 28 9.929 11.446 -15.538 1.00 1.25 C ATOM 448 O MET A 28 11.153 11.367 -15.650 1.00 13.40 O ATOM 449 CB MET A 28 8.720 13.634 -15.426 1.00 44.43 C ATOM 450 CG MET A 28 7.304 14.016 -15.027 1.00 2.42 C ATOM 451 SD MET A 28 6.074 12.847 -15.634 1.00 15.33 S ATOM 452 CE MET A 28 4.876 13.963 -16.360 1.00 10.33 C ATOM 0 H MET A 28 10.045 12.761 -12.670 1.00 21.14 H new ATOM 0 HA MET A 28 8.489 11.995 -14.057 1.00 15.31 H new ATOM 0 HB2 MET A 28 9.367 14.504 -15.315 1.00 44.43 H new ATOM 0 HB3 MET A 28 8.730 13.362 -16.481 1.00 44.43 H new ATOM 0 HG2 MET A 28 7.240 14.074 -13.940 1.00 2.42 H new ATOM 0 HG3 MET A 28 7.077 15.010 -15.413 1.00 2.42 H new ATOM 0 HE1 MET A 28 4.051 13.388 -16.780 1.00 10.33 H new ATOM 0 HE2 MET A 28 4.495 14.637 -15.593 1.00 10.33 H new ATOM 0 HE3 MET A 28 5.352 14.544 -17.150 1.00 10.33 H new ATOM 462 N THR A 29 9.088 10.660 -16.202 1.00 63.12 N ATOM 463 CA THR A 29 9.566 9.634 -17.120 1.00 64.54 C ATOM 464 C THR A 29 8.404 8.851 -17.722 1.00 42.41 C ATOM 465 O THR A 29 8.472 8.406 -18.867 1.00 3.10 O ATOM 466 CB THR A 29 10.523 8.652 -16.419 1.00 31.53 C ATOM 467 OG1 THR A 29 10.776 7.525 -17.264 1.00 21.11 O ATOM 468 CG2 THR A 29 9.937 8.179 -15.097 1.00 24.04 C ATOM 0 H THR A 29 8.073 10.714 -16.121 1.00 63.12 H new ATOM 0 HA THR A 29 10.106 10.149 -17.915 1.00 64.54 H new ATOM 0 HB THR A 29 11.460 9.172 -16.219 1.00 31.53 H new ATOM 0 HG1 THR A 29 11.387 6.907 -16.811 1.00 21.11 H new ATOM 0 HG21 THR A 29 10.630 7.486 -14.619 1.00 24.04 H new ATOM 0 HG22 THR A 29 9.773 9.036 -14.444 1.00 24.04 H new ATOM 0 HG23 THR A 29 8.988 7.675 -15.279 1.00 24.04 H new ATOM 476 N GLU A 30 7.340 8.688 -16.944 1.00 74.21 N ATOM 477 CA GLU A 30 6.163 7.958 -17.402 1.00 3.21 C ATOM 478 C GLU A 30 4.883 8.653 -16.949 1.00 74.23 C ATOM 479 O GLU A 30 4.913 9.792 -16.486 1.00 34.02 O ATOM 480 CB GLU A 30 6.191 6.522 -16.877 1.00 63.03 C ATOM 481 CG GLU A 30 5.881 5.480 -17.939 1.00 62.43 C ATOM 482 CD GLU A 30 7.012 5.303 -18.932 1.00 1.41 C ATOM 483 OE1 GLU A 30 8.107 4.870 -18.512 1.00 13.50 O ATOM 484 OE2 GLU A 30 6.806 5.599 -20.127 1.00 14.42 O ATOM 0 H GLU A 30 7.268 9.051 -15.994 1.00 74.21 H new ATOM 0 HA GLU A 30 6.179 7.939 -18.492 1.00 3.21 H new ATOM 0 HB2 GLU A 30 7.175 6.317 -16.455 1.00 63.03 H new ATOM 0 HB3 GLU A 30 5.470 6.427 -16.065 1.00 63.03 H new ATOM 0 HG2 GLU A 30 5.674 4.525 -17.456 1.00 62.43 H new ATOM 0 HG3 GLU A 30 4.976 5.769 -18.473 1.00 62.43 H new ATOM 491 N GLU A 31 3.759 7.956 -17.087 1.00 55.24 N ATOM 492 CA GLU A 31 2.466 8.505 -16.694 1.00 3.42 C ATOM 493 C GLU A 31 1.650 7.476 -15.918 1.00 52.41 C ATOM 494 O GLU A 31 0.720 6.873 -16.457 1.00 71.51 O ATOM 495 CB GLU A 31 1.687 8.968 -17.926 1.00 52.21 C ATOM 496 CG GLU A 31 2.511 9.809 -18.888 1.00 30.45 C ATOM 497 CD GLU A 31 1.752 10.162 -20.152 1.00 14.45 C ATOM 498 OE1 GLU A 31 0.623 9.657 -20.326 1.00 13.01 O ATOM 499 OE2 GLU A 31 2.286 10.943 -20.967 1.00 23.24 O ATOM 0 H GLU A 31 3.718 7.011 -17.468 1.00 55.24 H new ATOM 0 HA GLU A 31 2.647 9.362 -16.045 1.00 3.42 H new ATOM 0 HB2 GLU A 31 1.307 8.094 -18.455 1.00 52.21 H new ATOM 0 HB3 GLU A 31 0.821 9.546 -17.602 1.00 52.21 H new ATOM 0 HG2 GLU A 31 2.822 10.726 -18.388 1.00 30.45 H new ATOM 0 HG3 GLU A 31 3.418 9.267 -19.153 1.00 30.45 H new ATOM 506 N VAL A 32 2.003 7.279 -14.653 1.00 43.25 N ATOM 507 CA VAL A 32 1.305 6.322 -13.804 1.00 33.00 C ATOM 508 C VAL A 32 0.528 7.032 -12.700 1.00 72.43 C ATOM 509 O VAL A 32 0.865 8.152 -12.314 1.00 60.42 O ATOM 510 CB VAL A 32 2.283 5.319 -13.164 1.00 20.51 C ATOM 511 CG1 VAL A 32 1.526 4.164 -12.529 1.00 53.12 C ATOM 512 CG2 VAL A 32 3.277 4.812 -14.198 1.00 72.43 C ATOM 0 H VAL A 32 2.769 7.770 -14.193 1.00 43.25 H new ATOM 0 HA VAL A 32 0.609 5.780 -14.445 1.00 33.00 H new ATOM 0 HB VAL A 32 2.839 5.831 -12.379 1.00 20.51 H new ATOM 0 HG11 VAL A 32 2.234 3.466 -12.082 1.00 53.12 H new ATOM 0 HG12 VAL A 32 0.858 4.547 -11.757 1.00 53.12 H new ATOM 0 HG13 VAL A 32 0.941 3.649 -13.291 1.00 53.12 H new ATOM 0 HG21 VAL A 32 3.961 4.104 -13.729 1.00 72.43 H new ATOM 0 HG22 VAL A 32 2.740 4.316 -15.007 1.00 72.43 H new ATOM 0 HG23 VAL A 32 3.844 5.652 -14.600 1.00 72.43 H new ATOM 522 N ILE A 33 -0.511 6.375 -12.199 1.00 72.02 N ATOM 523 CA ILE A 33 -1.335 6.943 -11.138 1.00 73.34 C ATOM 524 C ILE A 33 -1.806 5.862 -10.171 1.00 31.31 C ATOM 525 O ILE A 33 -2.262 4.797 -10.587 1.00 22.51 O ATOM 526 CB ILE A 33 -2.562 7.675 -11.711 1.00 61.22 C ATOM 527 CG1 ILE A 33 -2.126 8.924 -12.479 1.00 1.21 C ATOM 528 CG2 ILE A 33 -3.528 8.044 -10.594 1.00 4.42 C ATOM 529 CD1 ILE A 33 -3.269 9.647 -13.155 1.00 14.20 C ATOM 0 H ILE A 33 -0.803 5.449 -12.510 1.00 72.02 H new ATOM 0 HA ILE A 33 -0.712 7.660 -10.602 1.00 73.34 H new ATOM 0 HB ILE A 33 -3.075 7.007 -12.403 1.00 61.22 H new ATOM 0 HG12 ILE A 33 -1.630 9.609 -11.791 1.00 1.21 H new ATOM 0 HG13 ILE A 33 -1.391 8.640 -13.232 1.00 1.21 H new ATOM 0 HG21 ILE A 33 -4.390 8.561 -11.015 1.00 4.42 H new ATOM 0 HG22 ILE A 33 -3.860 7.138 -10.086 1.00 4.42 H new ATOM 0 HG23 ILE A 33 -3.026 8.697 -9.880 1.00 4.42 H new ATOM 0 HD11 ILE A 33 -2.886 10.522 -13.680 1.00 14.20 H new ATOM 0 HD12 ILE A 33 -3.752 8.978 -13.868 1.00 14.20 H new ATOM 0 HD13 ILE A 33 -3.994 9.963 -12.405 1.00 14.20 H new ATOM 541 N VAL A 34 -1.696 6.145 -8.877 1.00 0.41 N ATOM 542 CA VAL A 34 -2.115 5.200 -7.849 1.00 42.10 C ATOM 543 C VAL A 34 -3.324 5.722 -7.081 1.00 51.42 C ATOM 544 O VAL A 34 -3.618 6.917 -7.107 1.00 33.41 O ATOM 545 CB VAL A 34 -0.975 4.911 -6.855 1.00 42.03 C ATOM 546 CG1 VAL A 34 -0.805 6.071 -5.884 1.00 52.44 C ATOM 547 CG2 VAL A 34 -1.235 3.614 -6.106 1.00 55.10 C ATOM 0 H VAL A 34 -1.320 7.022 -8.516 1.00 0.41 H new ATOM 0 HA VAL A 34 -2.385 4.276 -8.360 1.00 42.10 H new ATOM 0 HB VAL A 34 -0.048 4.799 -7.417 1.00 42.03 H new ATOM 0 HG11 VAL A 34 0.005 5.848 -5.189 1.00 52.44 H new ATOM 0 HG12 VAL A 34 -0.568 6.978 -6.439 1.00 52.44 H new ATOM 0 HG13 VAL A 34 -1.730 6.218 -5.327 1.00 52.44 H new ATOM 0 HG21 VAL A 34 -0.419 3.427 -5.408 1.00 55.10 H new ATOM 0 HG22 VAL A 34 -2.172 3.694 -5.555 1.00 55.10 H new ATOM 0 HG23 VAL A 34 -1.301 2.790 -6.817 1.00 55.10 H new ATOM 557 N ILE A 35 -4.019 4.818 -6.399 1.00 1.03 N ATOM 558 CA ILE A 35 -5.195 5.188 -5.622 1.00 1.35 C ATOM 559 C ILE A 35 -5.046 4.768 -4.163 1.00 11.02 C ATOM 560 O ILE A 35 -4.736 3.615 -3.869 1.00 32.52 O ATOM 561 CB ILE A 35 -6.474 4.554 -6.199 1.00 30.00 C ATOM 562 CG1 ILE A 35 -6.451 4.607 -7.728 1.00 62.24 C ATOM 563 CG2 ILE A 35 -7.708 5.260 -5.658 1.00 4.33 C ATOM 564 CD1 ILE A 35 -6.289 6.005 -8.282 1.00 21.43 C ATOM 0 H ILE A 35 -3.788 3.825 -6.369 1.00 1.03 H new ATOM 0 HA ILE A 35 -5.280 6.273 -5.678 1.00 1.35 H new ATOM 0 HB ILE A 35 -6.514 3.509 -5.890 1.00 30.00 H new ATOM 0 HG12 ILE A 35 -5.635 3.984 -8.093 1.00 62.24 H new ATOM 0 HG13 ILE A 35 -7.376 4.178 -8.112 1.00 62.24 H new ATOM 0 HG21 ILE A 35 -8.603 4.799 -6.076 1.00 4.33 H new ATOM 0 HG22 ILE A 35 -7.729 5.174 -4.572 1.00 4.33 H new ATOM 0 HG23 ILE A 35 -7.677 6.313 -5.938 1.00 4.33 H new ATOM 0 HD11 ILE A 35 -6.281 5.966 -9.371 1.00 21.43 H new ATOM 0 HD12 ILE A 35 -7.119 6.627 -7.947 1.00 21.43 H new ATOM 0 HD13 ILE A 35 -5.350 6.430 -7.927 1.00 21.43 H new ATOM 576 N ALA A 36 -5.271 5.712 -3.255 1.00 71.22 N ATOM 577 CA ALA A 36 -5.166 5.438 -1.827 1.00 3.40 C ATOM 578 C ALA A 36 -6.342 4.599 -1.341 1.00 65.55 C ATOM 579 O ALA A 36 -7.473 5.079 -1.268 1.00 51.34 O ATOM 580 CB ALA A 36 -5.084 6.742 -1.045 1.00 74.22 C ATOM 0 H ALA A 36 -5.527 6.673 -3.483 1.00 71.22 H new ATOM 0 HA ALA A 36 -4.253 4.867 -1.657 1.00 3.40 H new ATOM 0 HB1 ALA A 36 -5.006 6.523 0.020 1.00 74.22 H new ATOM 0 HB2 ALA A 36 -4.207 7.304 -1.365 1.00 74.22 H new ATOM 0 HB3 ALA A 36 -5.981 7.334 -1.229 1.00 74.22 H new ATOM 586 N LYS A 37 -6.068 3.341 -1.008 1.00 3.22 N ATOM 587 CA LYS A 37 -7.102 2.435 -0.528 1.00 75.21 C ATOM 588 C LYS A 37 -7.833 3.028 0.673 1.00 61.13 C ATOM 589 O LYS A 37 -9.036 2.825 0.843 1.00 44.03 O ATOM 590 CB LYS A 37 -6.490 1.083 -0.149 1.00 5.14 C ATOM 591 CG LYS A 37 -5.592 0.499 -1.224 1.00 13.53 C ATOM 592 CD LYS A 37 -5.425 -1.002 -1.058 1.00 0.31 C ATOM 593 CE LYS A 37 -4.021 -1.359 -0.597 1.00 72.14 C ATOM 594 NZ LYS A 37 -3.360 -2.321 -1.521 1.00 73.23 N ATOM 0 H LYS A 37 -5.137 2.927 -1.062 1.00 3.22 H new ATOM 0 HA LYS A 37 -7.822 2.289 -1.333 1.00 75.21 H new ATOM 0 HB2 LYS A 37 -5.915 1.199 0.770 1.00 5.14 H new ATOM 0 HB3 LYS A 37 -7.293 0.377 0.065 1.00 5.14 H new ATOM 0 HG2 LYS A 37 -6.013 0.712 -2.206 1.00 13.53 H new ATOM 0 HG3 LYS A 37 -4.615 0.981 -1.184 1.00 13.53 H new ATOM 0 HD2 LYS A 37 -6.152 -1.372 -0.335 1.00 0.31 H new ATOM 0 HD3 LYS A 37 -5.636 -1.499 -2.005 1.00 0.31 H new ATOM 0 HE2 LYS A 37 -3.420 -0.452 -0.527 1.00 72.14 H new ATOM 0 HE3 LYS A 37 -4.066 -1.789 0.403 1.00 72.14 H new ATOM 0 HZ1 LYS A 37 -2.825 -3.021 -0.969 1.00 73.23 H new ATOM 0 HZ2 LYS A 37 -4.082 -2.808 -2.090 1.00 73.23 H new ATOM 0 HZ3 LYS A 37 -2.711 -1.807 -2.151 1.00 73.23 H new ATOM 608 N TRP A 38 -7.098 3.762 1.502 1.00 11.55 N ATOM 609 CA TRP A 38 -7.677 4.387 2.686 1.00 1.51 C ATOM 610 C TRP A 38 -6.859 5.599 3.118 1.00 61.34 C ATOM 611 O TRP A 38 -5.730 5.788 2.668 1.00 42.33 O ATOM 612 CB TRP A 38 -7.761 3.377 3.831 1.00 63.40 C ATOM 613 CG TRP A 38 -7.114 2.063 3.513 1.00 24.13 C ATOM 614 CD1 TRP A 38 -5.776 1.783 3.524 1.00 21.24 C ATOM 615 CD2 TRP A 38 -7.776 0.851 3.135 1.00 42.12 C ATOM 616 NE1 TRP A 38 -5.568 0.471 3.174 1.00 11.14 N ATOM 617 CE2 TRP A 38 -6.778 -0.123 2.932 1.00 61.11 C ATOM 618 CE3 TRP A 38 -9.113 0.493 2.950 1.00 2.11 C ATOM 619 CZ2 TRP A 38 -7.079 -1.429 2.554 1.00 42.41 C ATOM 620 CZ3 TRP A 38 -9.411 -0.802 2.573 1.00 63.54 C ATOM 621 CH2 TRP A 38 -8.398 -1.751 2.379 1.00 70.45 C ATOM 0 H TRP A 38 -6.101 3.939 1.376 1.00 11.55 H new ATOM 0 HA TRP A 38 -8.683 4.724 2.434 1.00 1.51 H new ATOM 0 HB2 TRP A 38 -7.288 3.802 4.716 1.00 63.40 H new ATOM 0 HB3 TRP A 38 -8.809 3.207 4.080 1.00 63.40 H new ATOM 0 HD1 TRP A 38 -4.997 2.489 3.771 1.00 21.24 H new ATOM 0 HE1 TRP A 38 -4.659 0.013 3.105 1.00 11.14 H new ATOM 0 HE3 TRP A 38 -9.901 1.217 3.099 1.00 2.11 H new ATOM 0 HZ2 TRP A 38 -6.300 -2.162 2.404 1.00 42.41 H new ATOM 0 HZ3 TRP A 38 -10.442 -1.088 2.425 1.00 63.54 H new ATOM 0 HH2 TRP A 38 -8.663 -2.756 2.086 1.00 70.45 H new ATOM 632 N ASP A 39 -7.435 6.415 3.991 1.00 21.44 N ATOM 633 CA ASP A 39 -6.758 7.608 4.486 1.00 2.24 C ATOM 634 C ASP A 39 -5.455 7.242 5.190 1.00 21.32 C ATOM 635 O ASP A 39 -5.432 6.368 6.059 1.00 14.25 O ATOM 636 CB ASP A 39 -7.669 8.380 5.441 1.00 14.32 C ATOM 637 CG ASP A 39 -8.476 7.464 6.339 1.00 4.11 C ATOM 638 OD1 ASP A 39 -9.660 7.770 6.590 1.00 20.31 O ATOM 639 OD2 ASP A 39 -7.923 6.439 6.790 1.00 13.21 O ATOM 0 H ASP A 39 -8.371 6.273 4.372 1.00 21.44 H new ATOM 0 HA ASP A 39 -6.522 8.241 3.631 1.00 2.24 H new ATOM 0 HB2 ASP A 39 -7.064 9.046 6.056 1.00 14.32 H new ATOM 0 HB3 ASP A 39 -8.348 9.008 4.863 1.00 14.32 H new ATOM 645 N TYR A 40 -4.374 7.911 4.811 1.00 13.24 N ATOM 646 CA TYR A 40 -3.067 7.654 5.403 1.00 53.23 C ATOM 647 C TYR A 40 -2.602 8.843 6.236 1.00 2.32 C ATOM 648 O TYR A 40 -2.584 9.980 5.763 1.00 43.22 O ATOM 649 CB TYR A 40 -2.040 7.349 4.312 1.00 71.45 C ATOM 650 CG TYR A 40 -0.606 7.434 4.787 1.00 34.14 C ATOM 651 CD1 TYR A 40 -0.183 6.730 5.908 1.00 60.15 C ATOM 652 CD2 TYR A 40 0.323 8.217 4.116 1.00 5.53 C ATOM 653 CE1 TYR A 40 1.125 6.806 6.347 1.00 51.53 C ATOM 654 CE2 TYR A 40 1.633 8.299 4.546 1.00 72.31 C ATOM 655 CZ TYR A 40 2.029 7.592 5.662 1.00 62.13 C ATOM 656 OH TYR A 40 3.332 7.670 6.096 1.00 63.32 O ATOM 0 H TYR A 40 -4.376 8.637 4.095 1.00 13.24 H new ATOM 0 HA TYR A 40 -3.159 6.788 6.059 1.00 53.23 H new ATOM 0 HB2 TYR A 40 -2.225 6.349 3.920 1.00 71.45 H new ATOM 0 HB3 TYR A 40 -2.182 8.046 3.486 1.00 71.45 H new ATOM 0 HD1 TYR A 40 -0.888 6.113 6.445 1.00 60.15 H new ATOM 0 HD2 TYR A 40 0.016 8.772 3.242 1.00 5.53 H new ATOM 0 HE1 TYR A 40 1.438 6.254 7.221 1.00 51.53 H new ATOM 0 HE2 TYR A 40 2.343 8.913 4.012 1.00 72.31 H new ATOM 0 HH TYR A 40 3.916 7.198 5.466 1.00 63.32 H new ATOM 666 N THR A 41 -2.225 8.575 7.483 1.00 62.22 N ATOM 667 CA THR A 41 -1.759 9.621 8.383 1.00 33.44 C ATOM 668 C THR A 41 -0.241 9.603 8.511 1.00 30.43 C ATOM 669 O THR A 41 0.324 8.749 9.194 1.00 71.32 O ATOM 670 CB THR A 41 -2.384 9.474 9.785 1.00 4.22 C ATOM 671 OG1 THR A 41 -3.573 8.680 9.712 1.00 40.41 O ATOM 672 CG2 THR A 41 -2.713 10.837 10.376 1.00 63.41 C ATOM 0 H THR A 41 -2.234 7.641 7.892 1.00 62.22 H new ATOM 0 HA THR A 41 -2.071 10.572 7.951 1.00 33.44 H new ATOM 0 HB THR A 41 -1.659 8.980 10.432 1.00 4.22 H new ATOM 0 HG1 THR A 41 -3.962 8.591 10.607 1.00 40.41 H new ATOM 0 HG21 THR A 41 -3.153 10.708 11.365 1.00 63.41 H new ATOM 0 HG22 THR A 41 -1.801 11.428 10.459 1.00 63.41 H new ATOM 0 HG23 THR A 41 -3.422 11.353 9.728 1.00 63.41 H new ATOM 680 N ALA A 42 0.415 10.551 7.849 1.00 21.44 N ATOM 681 CA ALA A 42 1.868 10.645 7.892 1.00 11.20 C ATOM 682 C ALA A 42 2.372 10.741 9.327 1.00 62.21 C ATOM 683 O ALA A 42 2.200 11.766 9.987 1.00 12.33 O ATOM 684 CB ALA A 42 2.343 11.843 7.083 1.00 44.31 C ATOM 0 H ALA A 42 -0.037 11.264 7.277 1.00 21.44 H new ATOM 0 HA ALA A 42 2.278 9.736 7.452 1.00 11.20 H new ATOM 0 HB1 ALA A 42 3.431 11.901 7.124 1.00 44.31 H new ATOM 0 HB2 ALA A 42 2.024 11.732 6.047 1.00 44.31 H new ATOM 0 HB3 ALA A 42 1.915 12.755 7.498 1.00 44.31 H new ATOM 690 N GLN A 43 2.992 9.667 9.805 1.00 63.21 N ATOM 691 CA GLN A 43 3.519 9.631 11.164 1.00 30.54 C ATOM 692 C GLN A 43 4.803 10.447 11.273 1.00 42.21 C ATOM 693 O GLN A 43 5.132 10.963 12.340 1.00 1.40 O ATOM 694 CB GLN A 43 3.778 8.186 11.595 1.00 64.11 C ATOM 695 CG GLN A 43 4.542 7.372 10.562 1.00 55.20 C ATOM 696 CD GLN A 43 3.639 6.457 9.759 1.00 52.50 C ATOM 697 OE1 GLN A 43 2.756 5.798 10.309 1.00 43.43 O ATOM 698 NE2 GLN A 43 3.854 6.414 8.449 1.00 2.41 N ATOM 0 H GLN A 43 3.142 8.811 9.272 1.00 63.21 H new ATOM 0 HA GLN A 43 2.775 10.072 11.827 1.00 30.54 H new ATOM 0 HB2 GLN A 43 4.338 8.189 12.530 1.00 64.11 H new ATOM 0 HB3 GLN A 43 2.824 7.699 11.797 1.00 64.11 H new ATOM 0 HG2 GLN A 43 5.063 8.048 9.885 1.00 55.20 H new ATOM 0 HG3 GLN A 43 5.303 6.776 11.065 1.00 55.20 H new ATOM 0 HE21 GLN A 43 4.597 6.977 8.035 1.00 2.41 H new ATOM 0 HE22 GLN A 43 3.276 5.818 7.857 1.00 2.41 H new ATOM 707 N GLN A 44 5.524 10.555 10.161 1.00 25.51 N ATOM 708 CA GLN A 44 6.773 11.306 10.134 1.00 43.52 C ATOM 709 C GLN A 44 6.621 12.585 9.314 1.00 61.22 C ATOM 710 O GLN A 44 5.524 12.921 8.868 1.00 63.24 O ATOM 711 CB GLN A 44 7.897 10.447 9.554 1.00 64.30 C ATOM 712 CG GLN A 44 7.882 9.010 10.052 1.00 41.50 C ATOM 713 CD GLN A 44 9.272 8.473 10.327 1.00 74.15 C ATOM 714 OE1 GLN A 44 10.273 9.114 10.006 1.00 24.25 O ATOM 715 NE2 GLN A 44 9.342 7.288 10.924 1.00 42.22 N ATOM 0 H GLN A 44 5.265 10.133 9.269 1.00 25.51 H new ATOM 0 HA GLN A 44 7.025 11.579 11.159 1.00 43.52 H new ATOM 0 HB2 GLN A 44 7.819 10.447 8.467 1.00 64.30 H new ATOM 0 HB3 GLN A 44 8.856 10.900 9.805 1.00 64.30 H new ATOM 0 HG2 GLN A 44 7.287 8.952 10.964 1.00 41.50 H new ATOM 0 HG3 GLN A 44 7.393 8.378 9.311 1.00 41.50 H new ATOM 0 HE21 GLN A 44 8.487 6.791 11.173 1.00 42.22 H new ATOM 0 HE22 GLN A 44 10.251 6.875 11.134 1.00 42.22 H new ATOM 724 N ASP A 45 7.729 13.293 9.120 1.00 1.02 N ATOM 725 CA ASP A 45 7.719 14.532 8.353 1.00 20.05 C ATOM 726 C ASP A 45 8.007 14.264 6.879 1.00 31.43 C ATOM 727 O ASP A 45 7.658 15.065 6.013 1.00 25.54 O ATOM 728 CB ASP A 45 8.750 15.513 8.917 1.00 32.33 C ATOM 729 CG ASP A 45 10.145 15.257 8.382 1.00 74.02 C ATOM 730 OD1 ASP A 45 10.648 14.127 8.555 1.00 24.20 O ATOM 731 OD2 ASP A 45 10.732 16.186 7.791 1.00 42.22 O ATOM 0 H ASP A 45 8.645 13.029 9.484 1.00 1.02 H new ATOM 0 HA ASP A 45 6.725 14.972 8.435 1.00 20.05 H new ATOM 0 HB2 ASP A 45 8.451 16.532 8.671 1.00 32.33 H new ATOM 0 HB3 ASP A 45 8.762 15.438 10.004 1.00 32.33 H new ATOM 737 N GLN A 46 8.645 13.131 6.605 1.00 42.30 N ATOM 738 CA GLN A 46 8.981 12.758 5.236 1.00 55.24 C ATOM 739 C GLN A 46 7.765 12.189 4.512 1.00 71.20 C ATOM 740 O GLN A 46 7.706 12.189 3.284 1.00 51.42 O ATOM 741 CB GLN A 46 10.118 11.735 5.228 1.00 60.22 C ATOM 742 CG GLN A 46 11.416 12.270 4.645 1.00 32.35 C ATOM 743 CD GLN A 46 12.069 13.311 5.533 1.00 21.21 C ATOM 744 OE1 GLN A 46 11.831 14.510 5.384 1.00 74.11 O ATOM 745 NE2 GLN A 46 12.898 12.857 6.466 1.00 53.41 N ATOM 0 H GLN A 46 8.939 12.456 7.311 1.00 42.30 H new ATOM 0 HA GLN A 46 9.306 13.657 4.711 1.00 55.24 H new ATOM 0 HB2 GLN A 46 10.300 11.399 6.249 1.00 60.22 H new ATOM 0 HB3 GLN A 46 9.805 10.862 4.656 1.00 60.22 H new ATOM 0 HG2 GLN A 46 12.109 11.443 4.491 1.00 32.35 H new ATOM 0 HG3 GLN A 46 11.218 12.706 3.666 1.00 32.35 H new ATOM 0 HE21 GLN A 46 13.067 11.855 6.555 1.00 53.41 H new ATOM 0 HE22 GLN A 46 13.366 13.510 7.094 1.00 53.41 H new ATOM 754 N GLU A 47 6.796 11.706 5.284 1.00 60.24 N ATOM 755 CA GLU A 47 5.582 11.134 4.715 1.00 71.44 C ATOM 756 C GLU A 47 4.524 12.212 4.492 1.00 64.51 C ATOM 757 O GLU A 47 4.653 13.334 4.983 1.00 70.11 O ATOM 758 CB GLU A 47 5.027 10.042 5.633 1.00 34.21 C ATOM 759 CG GLU A 47 6.102 9.173 6.263 1.00 22.40 C ATOM 760 CD GLU A 47 7.204 8.807 5.287 1.00 4.53 C ATOM 761 OE1 GLU A 47 6.881 8.447 4.136 1.00 13.11 O ATOM 762 OE2 GLU A 47 8.389 8.881 5.674 1.00 25.34 O ATOM 0 H GLU A 47 6.828 11.700 6.303 1.00 60.24 H new ATOM 0 HA GLU A 47 5.836 10.694 3.751 1.00 71.44 H new ATOM 0 HB2 GLU A 47 4.439 10.508 6.424 1.00 34.21 H new ATOM 0 HB3 GLU A 47 4.348 9.409 5.062 1.00 34.21 H new ATOM 0 HG2 GLU A 47 6.536 9.698 7.114 1.00 22.40 H new ATOM 0 HG3 GLU A 47 5.646 8.261 6.649 1.00 22.40 H new ATOM 769 N LEU A 48 3.479 11.863 3.749 1.00 64.33 N ATOM 770 CA LEU A 48 2.399 12.800 3.461 1.00 33.31 C ATOM 771 C LEU A 48 1.051 12.220 3.875 1.00 54.42 C ATOM 772 O LEU A 48 0.781 11.037 3.666 1.00 42.45 O ATOM 773 CB LEU A 48 2.383 13.145 1.971 1.00 24.42 C ATOM 774 CG LEU A 48 2.163 14.620 1.627 1.00 13.43 C ATOM 775 CD1 LEU A 48 2.172 14.823 0.119 1.00 22.30 C ATOM 776 CD2 LEU A 48 0.854 15.116 2.225 1.00 11.15 C ATOM 0 H LEU A 48 3.357 10.939 3.335 1.00 64.33 H new ATOM 0 HA LEU A 48 2.575 13.709 4.037 1.00 33.31 H new ATOM 0 HB2 LEU A 48 3.330 12.828 1.535 1.00 24.42 H new ATOM 0 HB3 LEU A 48 1.599 12.559 1.491 1.00 24.42 H new ATOM 0 HG LEU A 48 2.980 15.200 2.056 1.00 13.43 H new ATOM 0 HD11 LEU A 48 2.014 15.878 -0.107 1.00 22.30 H new ATOM 0 HD12 LEU A 48 3.133 14.505 -0.285 1.00 22.30 H new ATOM 0 HD13 LEU A 48 1.375 14.232 -0.332 1.00 22.30 H new ATOM 0 HD21 LEU A 48 0.713 16.167 1.971 1.00 11.15 H new ATOM 0 HD22 LEU A 48 0.026 14.531 1.824 1.00 11.15 H new ATOM 0 HD23 LEU A 48 0.884 15.006 3.309 1.00 11.15 H new ATOM 788 N ASP A 49 0.206 13.061 4.461 1.00 63.11 N ATOM 789 CA ASP A 49 -1.117 12.633 4.900 1.00 25.30 C ATOM 790 C ASP A 49 -2.136 12.773 3.775 1.00 1.12 C ATOM 791 O ASP A 49 -2.308 13.855 3.211 1.00 51.54 O ATOM 792 CB ASP A 49 -1.563 13.451 6.115 1.00 53.11 C ATOM 793 CG ASP A 49 -0.410 13.794 7.038 1.00 51.41 C ATOM 794 OD1 ASP A 49 0.401 14.670 6.672 1.00 3.41 O ATOM 795 OD2 ASP A 49 -0.318 13.187 8.124 1.00 35.40 O ATOM 0 H ASP A 49 0.414 14.043 4.643 1.00 63.11 H new ATOM 0 HA ASP A 49 -1.057 11.581 5.181 1.00 25.30 H new ATOM 0 HB2 ASP A 49 -2.038 14.371 5.775 1.00 53.11 H new ATOM 0 HB3 ASP A 49 -2.315 12.890 6.671 1.00 53.11 H new ATOM 801 N ILE A 50 -2.809 11.674 3.453 1.00 40.12 N ATOM 802 CA ILE A 50 -3.810 11.675 2.394 1.00 11.10 C ATOM 803 C ILE A 50 -5.102 11.010 2.858 1.00 33.11 C ATOM 804 O ILE A 50 -5.147 10.390 3.920 1.00 62.22 O ATOM 805 CB ILE A 50 -3.299 10.953 1.134 1.00 14.32 C ATOM 806 CG1 ILE A 50 -2.521 9.693 1.520 1.00 22.54 C ATOM 807 CG2 ILE A 50 -2.427 11.885 0.306 1.00 1.42 C ATOM 808 CD1 ILE A 50 -2.015 8.907 0.333 1.00 65.11 C ATOM 0 H ILE A 50 -2.679 10.772 3.910 1.00 40.12 H new ATOM 0 HA ILE A 50 -4.008 12.719 2.149 1.00 11.10 H new ATOM 0 HB ILE A 50 -4.158 10.657 0.531 1.00 14.32 H new ATOM 0 HG12 ILE A 50 -1.674 9.976 2.145 1.00 22.54 H new ATOM 0 HG13 ILE A 50 -3.162 9.051 2.124 1.00 22.54 H new ATOM 0 HG21 ILE A 50 -2.073 11.360 -0.581 1.00 1.42 H new ATOM 0 HG22 ILE A 50 -3.009 12.756 0.004 1.00 1.42 H new ATOM 0 HG23 ILE A 50 -1.573 12.208 0.901 1.00 1.42 H new ATOM 0 HD11 ILE A 50 -1.473 8.028 0.683 1.00 65.11 H new ATOM 0 HD12 ILE A 50 -2.859 8.593 -0.282 1.00 65.11 H new ATOM 0 HD13 ILE A 50 -1.347 9.532 -0.260 1.00 65.11 H new ATOM 820 N LYS A 51 -6.152 11.141 2.054 1.00 43.42 N ATOM 821 CA LYS A 51 -7.444 10.550 2.379 1.00 44.11 C ATOM 822 C LYS A 51 -7.736 9.352 1.482 1.00 65.34 C ATOM 823 O LYS A 51 -6.893 8.942 0.683 1.00 35.22 O ATOM 824 CB LYS A 51 -8.555 11.592 2.234 1.00 64.13 C ATOM 825 CG LYS A 51 -8.229 12.923 2.889 1.00 12.35 C ATOM 826 CD LYS A 51 -7.994 14.012 1.854 1.00 2.11 C ATOM 827 CE LYS A 51 -7.141 15.139 2.415 1.00 13.25 C ATOM 828 NZ LYS A 51 -7.866 16.439 2.409 1.00 51.33 N ATOM 0 H LYS A 51 -6.133 11.652 1.171 1.00 43.42 H new ATOM 0 HA LYS A 51 -7.408 10.207 3.413 1.00 44.11 H new ATOM 0 HB2 LYS A 51 -8.752 11.756 1.175 1.00 64.13 H new ATOM 0 HB3 LYS A 51 -9.472 11.196 2.671 1.00 64.13 H new ATOM 0 HG2 LYS A 51 -9.047 13.216 3.547 1.00 12.35 H new ATOM 0 HG3 LYS A 51 -7.342 12.815 3.513 1.00 12.35 H new ATOM 0 HD2 LYS A 51 -7.504 13.584 0.979 1.00 2.11 H new ATOM 0 HD3 LYS A 51 -8.952 14.411 1.520 1.00 2.11 H new ATOM 0 HE2 LYS A 51 -6.842 14.895 3.434 1.00 13.25 H new ATOM 0 HE3 LYS A 51 -6.227 15.230 1.827 1.00 13.25 H new ATOM 0 HZ1 LYS A 51 -7.251 17.181 2.799 1.00 51.33 H new ATOM 0 HZ2 LYS A 51 -8.130 16.685 1.434 1.00 51.33 H new ATOM 0 HZ3 LYS A 51 -8.725 16.360 2.990 1.00 51.33 H new ATOM 842 N LYS A 52 -8.934 8.794 1.617 1.00 31.23 N ATOM 843 CA LYS A 52 -9.338 7.645 0.818 1.00 13.44 C ATOM 844 C LYS A 52 -9.779 8.080 -0.577 1.00 63.33 C ATOM 845 O LYS A 52 -10.038 9.258 -0.817 1.00 22.44 O ATOM 846 CB LYS A 52 -10.476 6.891 1.510 1.00 32.50 C ATOM 847 CG LYS A 52 -10.406 6.941 3.026 1.00 63.34 C ATOM 848 CD LYS A 52 -11.663 7.547 3.625 1.00 65.14 C ATOM 849 CE LYS A 52 -11.890 8.965 3.127 1.00 63.34 C ATOM 850 NZ LYS A 52 -13.140 9.555 3.679 1.00 73.54 N ATOM 0 H LYS A 52 -9.643 9.120 2.274 1.00 31.23 H new ATOM 0 HA LYS A 52 -8.478 6.983 0.719 1.00 13.44 H new ATOM 0 HB2 LYS A 52 -11.428 7.310 1.185 1.00 32.50 H new ATOM 0 HB3 LYS A 52 -10.459 5.850 1.188 1.00 32.50 H new ATOM 0 HG2 LYS A 52 -10.265 5.934 3.418 1.00 63.34 H new ATOM 0 HG3 LYS A 52 -9.538 7.526 3.331 1.00 63.34 H new ATOM 0 HD2 LYS A 52 -12.524 6.929 3.370 1.00 65.14 H new ATOM 0 HD3 LYS A 52 -11.584 7.550 4.712 1.00 65.14 H new ATOM 0 HE2 LYS A 52 -11.040 9.588 3.407 1.00 63.34 H new ATOM 0 HE3 LYS A 52 -11.940 8.964 2.038 1.00 63.34 H new ATOM 0 HZ1 LYS A 52 -13.258 10.522 3.315 1.00 73.54 H new ATOM 0 HZ2 LYS A 52 -13.954 8.975 3.391 1.00 73.54 H new ATOM 0 HZ3 LYS A 52 -13.083 9.580 4.717 1.00 73.54 H new ATOM 864 N ASN A 53 -9.859 7.120 -1.492 1.00 41.25 N ATOM 865 CA ASN A 53 -10.268 7.405 -2.864 1.00 42.42 C ATOM 866 C ASN A 53 -9.456 8.559 -3.445 1.00 71.45 C ATOM 867 O ASN A 53 -9.934 9.293 -4.308 1.00 22.15 O ATOM 868 CB ASN A 53 -11.760 7.741 -2.913 1.00 53.53 C ATOM 869 CG ASN A 53 -12.293 7.796 -4.333 1.00 24.31 C ATOM 870 OD1 ASN A 53 -11.917 6.987 -5.181 1.00 41.12 O ATOM 871 ND2 ASN A 53 -13.173 8.754 -4.597 1.00 32.23 N ATOM 0 H ASN A 53 -9.647 6.139 -1.310 1.00 41.25 H new ATOM 0 HA ASN A 53 -10.082 6.515 -3.465 1.00 42.42 H new ATOM 0 HB2 ASN A 53 -12.317 6.994 -2.347 1.00 53.53 H new ATOM 0 HB3 ASN A 53 -11.930 8.701 -2.426 1.00 53.53 H new ATOM 0 HD21 ASN A 53 -13.566 8.841 -5.534 1.00 32.23 H new ATOM 0 HD22 ASN A 53 -13.456 9.403 -3.863 1.00 32.23 H new ATOM 878 N GLU A 54 -8.225 8.708 -2.967 1.00 61.31 N ATOM 879 CA GLU A 54 -7.346 9.772 -3.439 1.00 73.25 C ATOM 880 C GLU A 54 -6.376 9.246 -4.494 1.00 11.33 C ATOM 881 O GLU A 54 -5.715 8.228 -4.293 1.00 72.50 O ATOM 882 CB GLU A 54 -6.567 10.376 -2.270 1.00 11.34 C ATOM 883 CG GLU A 54 -5.652 11.520 -2.676 1.00 2.12 C ATOM 884 CD GLU A 54 -6.415 12.788 -3.009 1.00 72.33 C ATOM 885 OE1 GLU A 54 -7.548 12.946 -2.509 1.00 23.34 O ATOM 886 OE2 GLU A 54 -5.879 13.621 -3.770 1.00 73.41 O ATOM 0 H GLU A 54 -7.814 8.106 -2.254 1.00 61.31 H new ATOM 0 HA GLU A 54 -7.965 10.547 -3.892 1.00 73.25 H new ATOM 0 HB2 GLU A 54 -7.273 10.734 -1.520 1.00 11.34 H new ATOM 0 HB3 GLU A 54 -5.971 9.594 -1.799 1.00 11.34 H new ATOM 0 HG2 GLU A 54 -4.951 11.724 -1.867 1.00 2.12 H new ATOM 0 HG3 GLU A 54 -5.061 11.218 -3.541 1.00 2.12 H new ATOM 893 N ARG A 55 -6.296 9.952 -5.618 1.00 74.15 N ATOM 894 CA ARG A 55 -5.409 9.557 -6.706 1.00 33.30 C ATOM 895 C ARG A 55 -4.245 10.533 -6.839 1.00 44.51 C ATOM 896 O ARG A 55 -4.393 11.731 -6.592 1.00 71.12 O ATOM 897 CB ARG A 55 -6.183 9.486 -8.024 1.00 1.54 C ATOM 898 CG ARG A 55 -7.190 10.612 -8.200 1.00 72.42 C ATOM 899 CD ARG A 55 -7.679 10.701 -9.637 1.00 63.31 C ATOM 900 NE ARG A 55 -8.147 12.044 -9.973 1.00 22.31 N ATOM 901 CZ ARG A 55 -7.335 13.052 -10.269 1.00 21.20 C ATOM 902 NH1 ARG A 55 -6.021 12.871 -10.270 1.00 24.11 N ATOM 903 NH2 ARG A 55 -7.836 14.244 -10.563 1.00 60.41 N ATOM 0 H ARG A 55 -6.834 10.799 -5.799 1.00 74.15 H new ATOM 0 HA ARG A 55 -5.009 8.570 -6.475 1.00 33.30 H new ATOM 0 HB2 ARG A 55 -5.476 9.510 -8.853 1.00 1.54 H new ATOM 0 HB3 ARG A 55 -6.705 8.531 -8.078 1.00 1.54 H new ATOM 0 HG2 ARG A 55 -8.038 10.450 -7.535 1.00 72.42 H new ATOM 0 HG3 ARG A 55 -6.734 11.559 -7.910 1.00 72.42 H new ATOM 0 HD2 ARG A 55 -6.872 10.419 -10.313 1.00 63.31 H new ATOM 0 HD3 ARG A 55 -8.488 9.986 -9.790 1.00 63.31 H new ATOM 0 HE ARG A 55 -9.152 12.216 -9.981 1.00 22.31 H new ATOM 0 HH11 ARG A 55 -5.632 11.956 -10.043 1.00 24.11 H new ATOM 0 HH12 ARG A 55 -5.399 13.647 -10.498 1.00 24.11 H new ATOM 0 HH21 ARG A 55 -8.846 14.387 -10.562 1.00 60.41 H new ATOM 0 HH22 ARG A 55 -7.211 15.018 -10.790 1.00 60.41 H new ATOM 917 N LEU A 56 -3.086 10.015 -7.230 1.00 61.35 N ATOM 918 CA LEU A 56 -1.894 10.841 -7.395 1.00 53.13 C ATOM 919 C LEU A 56 -1.032 10.328 -8.544 1.00 63.44 C ATOM 920 O LEU A 56 -1.348 9.314 -9.166 1.00 21.03 O ATOM 921 CB LEU A 56 -1.080 10.862 -6.100 1.00 51.22 C ATOM 922 CG LEU A 56 -1.389 12.004 -5.130 1.00 55.35 C ATOM 923 CD1 LEU A 56 -2.622 11.678 -4.299 1.00 43.51 C ATOM 924 CD2 LEU A 56 -0.193 12.279 -4.231 1.00 75.03 C ATOM 0 H LEU A 56 -2.946 9.027 -7.439 1.00 61.35 H new ATOM 0 HA LEU A 56 -2.214 11.856 -7.631 1.00 53.13 H new ATOM 0 HB2 LEU A 56 -1.238 9.917 -5.580 1.00 51.22 H new ATOM 0 HB3 LEU A 56 -0.023 10.909 -6.360 1.00 51.22 H new ATOM 0 HG LEU A 56 -1.595 12.904 -5.710 1.00 55.35 H new ATOM 0 HD11 LEU A 56 -2.827 12.501 -3.614 1.00 43.51 H new ATOM 0 HD12 LEU A 56 -3.477 11.533 -4.959 1.00 43.51 H new ATOM 0 HD13 LEU A 56 -2.445 10.767 -3.728 1.00 43.51 H new ATOM 0 HD21 LEU A 56 -0.431 13.094 -3.548 1.00 75.03 H new ATOM 0 HD22 LEU A 56 0.045 11.383 -3.658 1.00 75.03 H new ATOM 0 HD23 LEU A 56 0.665 12.557 -4.842 1.00 75.03 H new ATOM 936 N TRP A 57 0.061 11.034 -8.815 1.00 74.44 N ATOM 937 CA TRP A 57 0.971 10.647 -9.888 1.00 4.24 C ATOM 938 C TRP A 57 2.103 9.777 -9.355 1.00 74.53 C ATOM 939 O TRP A 57 2.928 10.230 -8.561 1.00 32.01 O ATOM 940 CB TRP A 57 1.546 11.890 -10.569 1.00 3.51 C ATOM 941 CG TRP A 57 0.606 12.516 -11.555 1.00 62.43 C ATOM 942 CD1 TRP A 57 0.755 12.565 -12.911 1.00 52.50 C ATOM 943 CD2 TRP A 57 -0.626 13.181 -11.261 1.00 11.11 C ATOM 944 NE1 TRP A 57 -0.311 13.222 -13.478 1.00 43.11 N ATOM 945 CE2 TRP A 57 -1.172 13.609 -12.488 1.00 22.24 C ATOM 946 CE3 TRP A 57 -1.324 13.458 -10.081 1.00 50.35 C ATOM 947 CZ2 TRP A 57 -2.381 14.297 -12.565 1.00 62.12 C ATOM 948 CZ3 TRP A 57 -2.522 14.140 -10.160 1.00 20.10 C ATOM 949 CH2 TRP A 57 -3.041 14.553 -11.395 1.00 32.33 C ATOM 0 H TRP A 57 0.338 11.875 -8.308 1.00 74.44 H new ATOM 0 HA TRP A 57 0.406 10.068 -10.618 1.00 4.24 H new ATOM 0 HB2 TRP A 57 1.805 12.626 -9.807 1.00 3.51 H new ATOM 0 HB3 TRP A 57 2.471 11.621 -11.080 1.00 3.51 H new ATOM 0 HD1 TRP A 57 1.588 12.149 -13.458 1.00 52.50 H new ATOM 0 HE1 TRP A 57 -0.439 13.393 -14.475 1.00 43.11 H new ATOM 0 HE3 TRP A 57 -0.933 13.144 -9.125 1.00 50.35 H new ATOM 0 HZ2 TRP A 57 -2.783 14.617 -13.515 1.00 62.12 H new ATOM 0 HZ3 TRP A 57 -3.069 14.359 -9.255 1.00 20.10 H new ATOM 0 HH2 TRP A 57 -3.981 15.084 -11.423 1.00 32.33 H new ATOM 960 N LEU A 58 2.136 8.523 -9.794 1.00 44.43 N ATOM 961 CA LEU A 58 3.168 7.587 -9.360 1.00 62.12 C ATOM 962 C LEU A 58 4.540 8.011 -9.878 1.00 61.53 C ATOM 963 O LEU A 58 4.753 8.122 -11.086 1.00 14.04 O ATOM 964 CB LEU A 58 2.842 6.175 -9.848 1.00 74.52 C ATOM 965 CG LEU A 58 2.464 5.162 -8.766 1.00 4.14 C ATOM 966 CD1 LEU A 58 2.253 3.785 -9.374 1.00 20.30 C ATOM 967 CD2 LEU A 58 3.536 5.111 -7.686 1.00 23.30 C ATOM 0 H LEU A 58 1.460 8.131 -10.450 1.00 44.43 H new ATOM 0 HA LEU A 58 3.193 7.592 -8.270 1.00 62.12 H new ATOM 0 HB2 LEU A 58 2.020 6.239 -10.561 1.00 74.52 H new ATOM 0 HB3 LEU A 58 3.706 5.791 -10.391 1.00 74.52 H new ATOM 0 HG LEU A 58 1.528 5.481 -8.307 1.00 4.14 H new ATOM 0 HD11 LEU A 58 1.985 3.078 -8.589 1.00 20.30 H new ATOM 0 HD12 LEU A 58 1.451 3.831 -10.110 1.00 20.30 H new ATOM 0 HD13 LEU A 58 3.172 3.457 -9.859 1.00 20.30 H new ATOM 0 HD21 LEU A 58 3.251 4.385 -6.924 1.00 23.30 H new ATOM 0 HD22 LEU A 58 4.487 4.816 -8.130 1.00 23.30 H new ATOM 0 HD23 LEU A 58 3.639 6.095 -7.229 1.00 23.30 H new ATOM 979 N LEU A 59 5.468 8.245 -8.956 1.00 74.24 N ATOM 980 CA LEU A 59 6.820 8.652 -9.318 1.00 4.42 C ATOM 981 C LEU A 59 7.757 7.450 -9.374 1.00 22.30 C ATOM 982 O LEU A 59 8.170 7.021 -10.452 1.00 71.31 O ATOM 983 CB LEU A 59 7.350 9.680 -8.316 1.00 52.21 C ATOM 984 CG LEU A 59 6.525 10.959 -8.166 1.00 20.31 C ATOM 985 CD1 LEU A 59 7.222 11.937 -7.234 1.00 20.24 C ATOM 986 CD2 LEU A 59 6.279 11.596 -9.526 1.00 4.43 C ATOM 0 H LEU A 59 5.308 8.160 -7.952 1.00 74.24 H new ATOM 0 HA LEU A 59 6.782 9.104 -10.309 1.00 4.42 H new ATOM 0 HB2 LEU A 59 7.422 9.202 -7.339 1.00 52.21 H new ATOM 0 HB3 LEU A 59 8.362 9.957 -8.611 1.00 52.21 H new ATOM 0 HG LEU A 59 5.561 10.699 -7.729 1.00 20.31 H new ATOM 0 HD11 LEU A 59 6.620 12.841 -7.139 1.00 20.24 H new ATOM 0 HD12 LEU A 59 7.346 11.479 -6.253 1.00 20.24 H new ATOM 0 HD13 LEU A 59 8.200 12.193 -7.641 1.00 20.24 H new ATOM 0 HD21 LEU A 59 5.691 12.505 -9.401 1.00 4.43 H new ATOM 0 HD22 LEU A 59 7.234 11.843 -9.990 1.00 4.43 H new ATOM 0 HD23 LEU A 59 5.736 10.897 -10.162 1.00 4.43 H new ATOM 998 N ASP A 60 8.086 6.909 -8.207 1.00 62.23 N ATOM 999 CA ASP A 60 8.972 5.753 -8.121 1.00 14.43 C ATOM 1000 C ASP A 60 8.425 4.723 -7.139 1.00 71.13 C ATOM 1001 O ASP A 60 8.400 4.954 -5.930 1.00 14.43 O ATOM 1002 CB ASP A 60 10.374 6.188 -7.696 1.00 31.12 C ATOM 1003 CG ASP A 60 11.323 6.316 -8.871 1.00 14.32 C ATOM 1004 OD1 ASP A 60 11.742 7.452 -9.175 1.00 5.33 O ATOM 1005 OD2 ASP A 60 11.644 5.280 -9.489 1.00 71.12 O ATOM 0 H ASP A 60 7.753 7.252 -7.306 1.00 62.23 H new ATOM 0 HA ASP A 60 9.028 5.294 -9.108 1.00 14.43 H new ATOM 0 HB2 ASP A 60 10.312 7.144 -7.177 1.00 31.12 H new ATOM 0 HB3 ASP A 60 10.776 5.465 -6.986 1.00 31.12 H new ATOM 1011 N ASP A 61 7.988 3.583 -7.665 1.00 42.41 N ATOM 1012 CA ASP A 61 7.443 2.516 -6.836 1.00 24.31 C ATOM 1013 C ASP A 61 8.252 1.233 -6.999 1.00 21.43 C ATOM 1014 O ASP A 61 7.855 0.327 -7.732 1.00 4.11 O ATOM 1015 CB ASP A 61 5.978 2.260 -7.193 1.00 12.00 C ATOM 1016 CG ASP A 61 5.687 2.520 -8.659 1.00 24.21 C ATOM 1017 OD1 ASP A 61 5.501 1.538 -9.410 1.00 1.54 O ATOM 1018 OD2 ASP A 61 5.644 3.704 -9.054 1.00 75.33 O ATOM 0 H ASP A 61 8.001 3.375 -8.664 1.00 42.41 H new ATOM 0 HA ASP A 61 7.504 2.832 -5.795 1.00 24.31 H new ATOM 0 HB2 ASP A 61 5.723 1.228 -6.952 1.00 12.00 H new ATOM 0 HB3 ASP A 61 5.341 2.897 -6.580 1.00 12.00 H new ATOM 1024 N SER A 62 9.387 1.163 -6.311 1.00 44.23 N ATOM 1025 CA SER A 62 10.255 -0.007 -6.385 1.00 34.43 C ATOM 1026 C SER A 62 10.245 -0.773 -5.065 1.00 43.01 C ATOM 1027 O SER A 62 10.059 -1.989 -5.040 1.00 63.22 O ATOM 1028 CB SER A 62 11.683 0.412 -6.735 1.00 50.11 C ATOM 1029 OG SER A 62 12.083 -0.133 -7.981 1.00 14.24 O ATOM 0 H SER A 62 9.727 1.902 -5.696 1.00 44.23 H new ATOM 0 HA SER A 62 9.876 -0.662 -7.169 1.00 34.43 H new ATOM 0 HB2 SER A 62 11.748 1.499 -6.773 1.00 50.11 H new ATOM 0 HB3 SER A 62 12.365 0.079 -5.953 1.00 50.11 H new ATOM 0 HG SER A 62 12.999 0.151 -8.183 1.00 14.24 H new ATOM 1035 N LYS A 63 10.449 -0.051 -3.967 1.00 2.50 N ATOM 1036 CA LYS A 63 10.465 -0.659 -2.644 1.00 32.41 C ATOM 1037 C LYS A 63 9.061 -0.702 -2.048 1.00 52.11 C ATOM 1038 O LYS A 63 8.101 -0.230 -2.659 1.00 25.14 O ATOM 1039 CB LYS A 63 11.401 0.117 -1.714 1.00 35.25 C ATOM 1040 CG LYS A 63 12.718 -0.590 -1.447 1.00 40.32 C ATOM 1041 CD LYS A 63 13.546 0.146 -0.406 1.00 52.54 C ATOM 1042 CE LYS A 63 14.829 -0.603 -0.086 1.00 61.13 C ATOM 1043 NZ LYS A 63 16.022 0.060 -0.682 1.00 53.31 N ATOM 0 H LYS A 63 10.606 0.957 -3.969 1.00 2.50 H new ATOM 0 HA LYS A 63 10.830 -1.681 -2.746 1.00 32.41 H new ATOM 0 HB2 LYS A 63 11.605 1.094 -2.151 1.00 35.25 H new ATOM 0 HB3 LYS A 63 10.894 0.292 -0.765 1.00 35.25 H new ATOM 0 HG2 LYS A 63 12.523 -1.607 -1.106 1.00 40.32 H new ATOM 0 HG3 LYS A 63 13.285 -0.668 -2.375 1.00 40.32 H new ATOM 0 HD2 LYS A 63 13.787 1.144 -0.771 1.00 52.54 H new ATOM 0 HD3 LYS A 63 12.960 0.272 0.504 1.00 52.54 H new ATOM 0 HE2 LYS A 63 14.952 -0.668 0.995 1.00 61.13 H new ATOM 0 HE3 LYS A 63 14.756 -1.624 -0.460 1.00 61.13 H new ATOM 0 HZ1 LYS A 63 16.877 -0.481 -0.441 1.00 53.31 H new ATOM 0 HZ2 LYS A 63 15.917 0.099 -1.716 1.00 53.31 H new ATOM 0 HZ3 LYS A 63 16.107 1.026 -0.306 1.00 53.31 H new ATOM 1057 N THR A 64 8.946 -1.270 -0.851 1.00 4.52 N ATOM 1058 CA THR A 64 7.661 -1.374 -0.175 1.00 21.43 C ATOM 1059 C THR A 64 6.922 -0.041 -0.189 1.00 54.42 C ATOM 1060 O THR A 64 5.698 0.000 -0.324 1.00 50.51 O ATOM 1061 CB THR A 64 7.830 -1.837 1.285 1.00 62.03 C ATOM 1062 OG1 THR A 64 6.644 -1.548 2.032 1.00 62.44 O ATOM 1063 CG2 THR A 64 9.024 -1.153 1.934 1.00 3.04 C ATOM 0 H THR A 64 9.729 -1.665 -0.330 1.00 4.52 H new ATOM 0 HA THR A 64 7.077 -2.116 -0.720 1.00 21.43 H new ATOM 0 HB THR A 64 8.004 -2.913 1.284 1.00 62.03 H new ATOM 0 HG1 THR A 64 5.914 -2.124 1.723 1.00 62.44 H new ATOM 0 HG21 THR A 64 9.124 -1.495 2.964 1.00 3.04 H new ATOM 0 HG22 THR A 64 9.930 -1.400 1.380 1.00 3.04 H new ATOM 0 HG23 THR A 64 8.875 -0.073 1.923 1.00 3.04 H new ATOM 1071 N TRP A 65 7.671 1.046 -0.052 1.00 11.50 N ATOM 1072 CA TRP A 65 7.085 2.383 -0.051 1.00 55.11 C ATOM 1073 C TRP A 65 7.166 3.013 -1.438 1.00 73.41 C ATOM 1074 O TRP A 65 8.187 2.910 -2.117 1.00 42.33 O ATOM 1075 CB TRP A 65 7.795 3.273 0.969 1.00 0.23 C ATOM 1076 CG TRP A 65 7.315 3.066 2.373 1.00 22.41 C ATOM 1077 CD1 TRP A 65 7.473 1.946 3.138 1.00 50.14 C ATOM 1078 CD2 TRP A 65 6.595 4.005 3.180 1.00 32.12 C ATOM 1079 NE1 TRP A 65 6.895 2.131 4.370 1.00 65.13 N ATOM 1080 CE2 TRP A 65 6.352 3.387 4.422 1.00 75.31 C ATOM 1081 CE3 TRP A 65 6.134 5.308 2.975 1.00 44.23 C ATOM 1082 CZ2 TRP A 65 5.666 4.029 5.450 1.00 70.43 C ATOM 1083 CZ3 TRP A 65 5.456 5.943 3.996 1.00 10.44 C ATOM 1084 CH2 TRP A 65 5.227 5.305 5.222 1.00 71.04 C ATOM 0 H TRP A 65 8.685 1.029 0.060 1.00 11.50 H new ATOM 0 HA TRP A 65 6.035 2.292 0.226 1.00 55.11 H new ATOM 0 HB2 TRP A 65 8.867 3.079 0.927 1.00 0.23 H new ATOM 0 HB3 TRP A 65 7.649 4.317 0.693 1.00 0.23 H new ATOM 0 HD1 TRP A 65 7.979 1.046 2.821 1.00 50.14 H new ATOM 0 HE1 TRP A 65 6.874 1.444 5.124 1.00 65.13 H new ATOM 0 HE3 TRP A 65 6.305 5.810 2.034 1.00 44.23 H new ATOM 0 HZ2 TRP A 65 5.487 3.537 6.394 1.00 70.43 H new ATOM 0 HZ3 TRP A 65 5.095 6.950 3.847 1.00 10.44 H new ATOM 0 HH2 TRP A 65 4.694 5.830 6.001 1.00 71.04 H new ATOM 1095 N TRP A 66 6.086 3.665 -1.851 1.00 34.32 N ATOM 1096 CA TRP A 66 6.035 4.314 -3.156 1.00 72.42 C ATOM 1097 C TRP A 66 5.954 5.828 -3.009 1.00 51.11 C ATOM 1098 O TRP A 66 5.454 6.338 -2.006 1.00 43.53 O ATOM 1099 CB TRP A 66 4.837 3.801 -3.956 1.00 51.32 C ATOM 1100 CG TRP A 66 4.833 2.313 -4.134 1.00 43.34 C ATOM 1101 CD1 TRP A 66 5.876 1.458 -3.914 1.00 21.44 C ATOM 1102 CD2 TRP A 66 3.736 1.504 -4.573 1.00 2.14 C ATOM 1103 NE1 TRP A 66 5.492 0.167 -4.188 1.00 13.32 N ATOM 1104 CE2 TRP A 66 4.183 0.168 -4.593 1.00 5.55 C ATOM 1105 CE3 TRP A 66 2.417 1.778 -4.947 1.00 51.13 C ATOM 1106 CZ2 TRP A 66 3.359 -0.886 -4.974 1.00 64.34 C ATOM 1107 CZ3 TRP A 66 1.600 0.729 -5.326 1.00 44.12 C ATOM 1108 CH2 TRP A 66 2.074 -0.590 -5.337 1.00 33.34 C ATOM 0 H TRP A 66 5.232 3.759 -1.301 1.00 34.32 H new ATOM 0 HA TRP A 66 6.952 4.070 -3.692 1.00 72.42 H new ATOM 0 HB2 TRP A 66 3.918 4.102 -3.453 1.00 51.32 H new ATOM 0 HB3 TRP A 66 4.834 4.277 -4.937 1.00 51.32 H new ATOM 0 HD1 TRP A 66 6.858 1.753 -3.575 1.00 21.44 H new ATOM 0 HE1 TRP A 66 6.085 -0.658 -4.104 1.00 13.32 H new ATOM 0 HE3 TRP A 66 2.043 2.791 -4.940 1.00 51.13 H new ATOM 0 HZ2 TRP A 66 3.722 -1.903 -4.983 1.00 64.34 H new ATOM 0 HZ3 TRP A 66 0.580 0.929 -5.618 1.00 44.12 H new ATOM 0 HH2 TRP A 66 1.412 -1.388 -5.638 1.00 33.34 H new ATOM 1119 N ARG A 67 6.448 6.543 -4.016 1.00 74.23 N ATOM 1120 CA ARG A 67 6.432 8.000 -3.998 1.00 35.44 C ATOM 1121 C ARG A 67 5.542 8.548 -5.111 1.00 10.13 C ATOM 1122 O ARG A 67 5.675 8.163 -6.272 1.00 43.21 O ATOM 1123 CB ARG A 67 7.851 8.550 -4.147 1.00 70.32 C ATOM 1124 CG ARG A 67 7.903 10.051 -4.380 1.00 55.44 C ATOM 1125 CD ARG A 67 9.062 10.691 -3.636 1.00 63.02 C ATOM 1126 NE ARG A 67 8.649 11.880 -2.894 1.00 74.00 N ATOM 1127 CZ ARG A 67 9.490 12.658 -2.224 1.00 34.31 C ATOM 1128 NH1 ARG A 67 10.785 12.375 -2.201 1.00 1.31 N ATOM 1129 NH2 ARG A 67 9.036 13.721 -1.573 1.00 4.04 N ATOM 0 H ARG A 67 6.864 6.136 -4.854 1.00 74.23 H new ATOM 0 HA ARG A 67 6.025 8.321 -3.039 1.00 35.44 H new ATOM 0 HB2 ARG A 67 8.420 8.311 -3.249 1.00 70.32 H new ATOM 0 HB3 ARG A 67 8.341 8.045 -4.979 1.00 70.32 H new ATOM 0 HG2 ARG A 67 8.000 10.251 -5.447 1.00 55.44 H new ATOM 0 HG3 ARG A 67 6.966 10.503 -4.054 1.00 55.44 H new ATOM 0 HD2 ARG A 67 9.494 9.966 -2.946 1.00 63.02 H new ATOM 0 HD3 ARG A 67 9.844 10.961 -4.346 1.00 63.02 H new ATOM 0 HE ARG A 67 7.659 12.126 -2.891 1.00 74.00 H new ATOM 0 HH11 ARG A 67 11.137 11.558 -2.699 1.00 1.31 H new ATOM 0 HH12 ARG A 67 11.429 12.975 -1.685 1.00 1.31 H new ATOM 0 HH21 ARG A 67 8.040 13.941 -1.587 1.00 4.04 H new ATOM 0 HH22 ARG A 67 9.683 14.318 -1.058 1.00 4.04 H new ATOM 1143 N VAL A 68 4.636 9.450 -4.748 1.00 20.44 N ATOM 1144 CA VAL A 68 3.726 10.052 -5.715 1.00 31.40 C ATOM 1145 C VAL A 68 3.659 11.564 -5.540 1.00 23.11 C ATOM 1146 O VAL A 68 4.248 12.119 -4.612 1.00 70.34 O ATOM 1147 CB VAL A 68 2.306 9.468 -5.588 1.00 42.42 C ATOM 1148 CG1 VAL A 68 2.313 7.976 -5.878 1.00 62.35 C ATOM 1149 CG2 VAL A 68 1.738 9.749 -4.206 1.00 74.12 C ATOM 0 H VAL A 68 4.513 9.780 -3.791 1.00 20.44 H new ATOM 0 HA VAL A 68 4.119 9.821 -6.705 1.00 31.40 H new ATOM 0 HB VAL A 68 1.665 9.952 -6.325 1.00 42.42 H new ATOM 0 HG11 VAL A 68 1.301 7.582 -5.783 1.00 62.35 H new ATOM 0 HG12 VAL A 68 2.676 7.804 -6.891 1.00 62.35 H new ATOM 0 HG13 VAL A 68 2.967 7.470 -5.168 1.00 62.35 H new ATOM 0 HG21 VAL A 68 0.734 9.330 -4.133 1.00 74.12 H new ATOM 0 HG22 VAL A 68 2.378 9.293 -3.450 1.00 74.12 H new ATOM 0 HG23 VAL A 68 1.694 10.826 -4.043 1.00 74.12 H new ATOM 1159 N ARG A 69 2.939 12.228 -6.439 1.00 73.04 N ATOM 1160 CA ARG A 69 2.797 13.677 -6.385 1.00 71.13 C ATOM 1161 C ARG A 69 1.329 14.074 -6.243 1.00 43.13 C ATOM 1162 O ARG A 69 0.449 13.453 -6.835 1.00 2.23 O ATOM 1163 CB ARG A 69 3.389 14.317 -7.642 1.00 24.54 C ATOM 1164 CG ARG A 69 3.285 15.834 -7.659 1.00 51.44 C ATOM 1165 CD ARG A 69 2.372 16.315 -8.776 1.00 71.11 C ATOM 1166 NE ARG A 69 3.085 16.463 -10.042 1.00 71.44 N ATOM 1167 CZ ARG A 69 2.480 16.600 -11.216 1.00 33.03 C ATOM 1168 NH1 ARG A 69 1.156 16.610 -11.285 1.00 15.14 N ATOM 1169 NH2 ARG A 69 3.198 16.729 -12.324 1.00 12.41 N ATOM 0 H ARG A 69 2.445 11.785 -7.213 1.00 73.04 H new ATOM 0 HA ARG A 69 3.341 14.038 -5.512 1.00 71.13 H new ATOM 0 HB2 ARG A 69 4.438 14.032 -7.725 1.00 24.54 H new ATOM 0 HB3 ARG A 69 2.879 13.916 -8.518 1.00 24.54 H new ATOM 0 HG2 ARG A 69 2.905 16.185 -6.700 1.00 51.44 H new ATOM 0 HG3 ARG A 69 4.277 16.267 -7.786 1.00 51.44 H new ATOM 0 HD2 ARG A 69 1.552 15.609 -8.903 1.00 71.11 H new ATOM 0 HD3 ARG A 69 1.929 17.271 -8.496 1.00 71.11 H new ATOM 0 HE ARG A 69 4.105 16.461 -10.023 1.00 71.44 H new ATOM 0 HH11 ARG A 69 0.600 16.512 -10.435 1.00 15.14 H new ATOM 0 HH12 ARG A 69 0.693 16.715 -12.188 1.00 15.14 H new ATOM 0 HH21 ARG A 69 4.217 16.723 -12.275 1.00 12.41 H new ATOM 0 HH22 ARG A 69 2.731 16.834 -13.225 1.00 12.41 H new ATOM 1183 N ASN A 70 1.077 15.113 -5.453 1.00 40.13 N ATOM 1184 CA ASN A 70 -0.283 15.592 -5.234 1.00 52.02 C ATOM 1185 C ASN A 70 -0.683 16.605 -6.302 1.00 53.33 C ATOM 1186 O ASN A 70 0.156 17.076 -7.070 1.00 32.53 O ATOM 1187 CB ASN A 70 -0.404 16.224 -3.845 1.00 55.31 C ATOM 1188 CG ASN A 70 -1.843 16.520 -3.469 1.00 54.33 C ATOM 1189 OD1 ASN A 70 -2.684 15.623 -3.432 1.00 52.24 O ATOM 1190 ND2 ASN A 70 -2.133 17.785 -3.185 1.00 54.14 N ATOM 0 H ASN A 70 1.795 15.638 -4.955 1.00 40.13 H new ATOM 0 HA ASN A 70 -0.957 14.738 -5.299 1.00 52.02 H new ATOM 0 HB2 ASN A 70 0.032 15.554 -3.104 1.00 55.31 H new ATOM 0 HB3 ASN A 70 0.174 17.148 -3.817 1.00 55.31 H new ATOM 0 HD21 ASN A 70 -3.084 18.044 -2.924 1.00 54.14 H new ATOM 0 HD22 ASN A 70 -1.404 18.497 -3.228 1.00 54.14 H new ATOM 1197 N ALA A 71 -1.969 16.934 -6.345 1.00 13.42 N ATOM 1198 CA ALA A 71 -2.480 17.892 -7.319 1.00 35.21 C ATOM 1199 C ALA A 71 -2.043 19.311 -6.973 1.00 44.55 C ATOM 1200 O ALA A 71 -2.073 20.203 -7.821 1.00 70.24 O ATOM 1201 CB ALA A 71 -3.998 17.810 -7.391 1.00 71.01 C ATOM 0 H ALA A 71 -2.677 16.552 -5.717 1.00 13.42 H new ATOM 0 HA ALA A 71 -2.065 17.639 -8.295 1.00 35.21 H new ATOM 0 HB1 ALA A 71 -4.367 18.530 -8.121 1.00 71.01 H new ATOM 0 HB2 ALA A 71 -4.294 16.805 -7.691 1.00 71.01 H new ATOM 0 HB3 ALA A 71 -4.421 18.036 -6.412 1.00 71.01 H new ATOM 1207 N ALA A 72 -1.635 19.513 -5.724 1.00 41.33 N ATOM 1208 CA ALA A 72 -1.188 20.823 -5.270 1.00 21.32 C ATOM 1209 C ALA A 72 0.327 20.957 -5.381 1.00 34.34 C ATOM 1210 O ALA A 72 0.942 21.758 -4.679 1.00 61.10 O ATOM 1211 CB ALA A 72 -1.638 21.065 -3.835 1.00 41.30 C ATOM 0 H ALA A 72 -1.605 18.786 -5.009 1.00 41.33 H new ATOM 0 HA ALA A 72 -1.640 21.577 -5.914 1.00 21.32 H new ATOM 0 HB1 ALA A 72 -1.298 22.047 -3.508 1.00 41.30 H new ATOM 0 HB2 ALA A 72 -2.726 21.022 -3.783 1.00 41.30 H new ATOM 0 HB3 ALA A 72 -1.213 20.299 -3.186 1.00 41.30 H new ATOM 1217 N ASN A 73 0.922 20.165 -6.267 1.00 11.42 N ATOM 1218 CA ASN A 73 2.366 20.194 -6.469 1.00 40.22 C ATOM 1219 C ASN A 73 3.098 19.676 -5.235 1.00 51.14 C ATOM 1220 O ASN A 73 4.279 19.965 -5.035 1.00 32.33 O ATOM 1221 CB ASN A 73 2.828 21.617 -6.791 1.00 63.35 C ATOM 1222 CG ASN A 73 1.789 22.402 -7.566 1.00 35.11 C ATOM 1223 OD1 ASN A 73 1.129 21.867 -8.459 1.00 30.45 O ATOM 1224 ND2 ASN A 73 1.638 23.678 -7.230 1.00 14.20 N ATOM 0 H ASN A 73 0.427 19.496 -6.856 1.00 11.42 H new ATOM 0 HA ASN A 73 2.604 19.543 -7.310 1.00 40.22 H new ATOM 0 HB2 ASN A 73 3.056 22.140 -5.863 1.00 63.35 H new ATOM 0 HB3 ASN A 73 3.752 21.574 -7.368 1.00 63.35 H new ATOM 0 HD21 ASN A 73 0.954 24.256 -7.718 1.00 14.20 H new ATOM 0 HD22 ASN A 73 2.206 24.080 -6.484 1.00 14.20 H new ATOM 1231 N ARG A 74 2.392 18.908 -4.413 1.00 10.31 N ATOM 1232 CA ARG A 74 2.974 18.350 -3.199 1.00 31.44 C ATOM 1233 C ARG A 74 3.662 17.018 -3.488 1.00 1.43 C ATOM 1234 O ARG A 74 3.340 16.339 -4.463 1.00 14.51 O ATOM 1235 CB ARG A 74 1.895 18.157 -2.132 1.00 53.10 C ATOM 1236 CG ARG A 74 2.433 18.175 -0.710 1.00 11.22 C ATOM 1237 CD ARG A 74 3.048 19.522 -0.365 1.00 44.24 C ATOM 1238 NE ARG A 74 3.095 19.750 1.076 1.00 63.15 N ATOM 1239 CZ ARG A 74 3.449 20.905 1.626 1.00 12.44 C ATOM 1240 NH1 ARG A 74 3.784 21.934 0.859 1.00 65.03 N ATOM 1241 NH2 ARG A 74 3.467 21.036 2.947 1.00 53.44 N ATOM 0 H ARG A 74 1.415 18.658 -4.566 1.00 10.31 H new ATOM 0 HA ARG A 74 3.720 19.053 -2.828 1.00 31.44 H new ATOM 0 HB2 ARG A 74 1.147 18.942 -2.238 1.00 53.10 H new ATOM 0 HB3 ARG A 74 1.388 17.208 -2.308 1.00 53.10 H new ATOM 0 HG2 ARG A 74 1.626 17.952 -0.012 1.00 11.22 H new ATOM 0 HG3 ARG A 74 3.181 17.391 -0.593 1.00 11.22 H new ATOM 0 HD2 ARG A 74 4.057 19.575 -0.773 1.00 44.24 H new ATOM 0 HD3 ARG A 74 2.471 20.316 -0.839 1.00 44.24 H new ATOM 0 HE ARG A 74 2.842 18.979 1.694 1.00 63.15 H new ATOM 0 HH11 ARG A 74 3.770 21.839 -0.156 1.00 65.03 H new ATOM 0 HH12 ARG A 74 4.056 22.820 1.285 1.00 65.03 H new ATOM 0 HH21 ARG A 74 3.209 20.248 3.541 1.00 53.44 H new ATOM 0 HH22 ARG A 74 3.739 21.924 3.368 1.00 53.44 H new ATOM 1255 N THR A 75 4.612 16.652 -2.635 1.00 62.20 N ATOM 1256 CA THR A 75 5.348 15.404 -2.799 1.00 13.32 C ATOM 1257 C THR A 75 5.634 14.753 -1.451 1.00 31.33 C ATOM 1258 O THR A 75 5.922 15.437 -0.468 1.00 54.35 O ATOM 1259 CB THR A 75 6.680 15.631 -3.539 1.00 53.41 C ATOM 1260 OG1 THR A 75 6.920 17.032 -3.700 1.00 23.45 O ATOM 1261 CG2 THR A 75 6.660 14.956 -4.904 1.00 22.33 C ATOM 0 H THR A 75 4.891 17.202 -1.822 1.00 62.20 H new ATOM 0 HA THR A 75 4.718 14.742 -3.393 1.00 13.32 H new ATOM 0 HB THR A 75 7.481 15.193 -2.943 1.00 53.41 H new ATOM 0 HG1 THR A 75 7.770 17.167 -4.170 1.00 23.45 H new ATOM 0 HG21 THR A 75 7.610 15.129 -5.409 1.00 22.33 H new ATOM 0 HG22 THR A 75 6.506 13.884 -4.778 1.00 22.33 H new ATOM 0 HG23 THR A 75 5.850 15.371 -5.503 1.00 22.33 H new ATOM 1269 N GLY A 76 5.554 13.427 -1.411 1.00 5.20 N ATOM 1270 CA GLY A 76 5.809 12.705 -0.177 1.00 10.14 C ATOM 1271 C GLY A 76 5.808 11.203 -0.374 1.00 34.24 C ATOM 1272 O GLY A 76 5.502 10.712 -1.461 1.00 4.12 O ATOM 0 H GLY A 76 5.317 12.839 -2.210 1.00 5.20 H new ATOM 0 HA2 GLY A 76 6.772 13.014 0.229 1.00 10.14 H new ATOM 0 HA3 GLY A 76 5.052 12.972 0.560 1.00 10.14 H new ATOM 1276 N TYR A 77 6.149 10.469 0.680 1.00 75.41 N ATOM 1277 CA TYR A 77 6.190 9.013 0.618 1.00 32.00 C ATOM 1278 C TYR A 77 4.970 8.404 1.301 1.00 22.22 C ATOM 1279 O TYR A 77 4.389 9.000 2.209 1.00 4.52 O ATOM 1280 CB TYR A 77 7.469 8.489 1.271 1.00 61.10 C ATOM 1281 CG TYR A 77 8.662 8.476 0.341 1.00 11.55 C ATOM 1282 CD1 TYR A 77 8.874 7.417 -0.534 1.00 23.41 C ATOM 1283 CD2 TYR A 77 9.577 9.521 0.339 1.00 13.00 C ATOM 1284 CE1 TYR A 77 9.963 7.401 -1.384 1.00 71.43 C ATOM 1285 CE2 TYR A 77 10.667 9.514 -0.510 1.00 63.34 C ATOM 1286 CZ TYR A 77 10.856 8.451 -1.368 1.00 50.24 C ATOM 1287 OH TYR A 77 11.943 8.439 -2.214 1.00 32.25 O ATOM 0 H TYR A 77 6.401 10.859 1.588 1.00 75.41 H new ATOM 0 HA TYR A 77 6.180 8.719 -0.432 1.00 32.00 H new ATOM 0 HB2 TYR A 77 7.702 9.105 2.139 1.00 61.10 H new ATOM 0 HB3 TYR A 77 7.292 7.477 1.636 1.00 61.10 H new ATOM 0 HD1 TYR A 77 8.176 6.593 -0.550 1.00 23.41 H new ATOM 0 HD2 TYR A 77 9.434 10.353 1.012 1.00 13.00 H new ATOM 0 HE1 TYR A 77 10.114 6.570 -2.057 1.00 71.43 H new ATOM 0 HE2 TYR A 77 11.367 10.336 -0.502 1.00 63.34 H new ATOM 0 HH TYR A 77 12.472 9.252 -2.078 1.00 32.25 H new ATOM 1297 N VAL A 78 4.585 7.210 0.860 1.00 2.33 N ATOM 1298 CA VAL A 78 3.436 6.518 1.430 1.00 40.33 C ATOM 1299 C VAL A 78 3.586 5.006 1.302 1.00 1.20 C ATOM 1300 O VAL A 78 4.184 4.495 0.355 1.00 50.22 O ATOM 1301 CB VAL A 78 2.125 6.951 0.749 1.00 3.42 C ATOM 1302 CG1 VAL A 78 1.841 8.420 1.022 1.00 1.42 C ATOM 1303 CG2 VAL A 78 2.188 6.681 -0.748 1.00 13.44 C ATOM 0 H VAL A 78 5.053 6.702 0.109 1.00 2.33 H new ATOM 0 HA VAL A 78 3.396 6.789 2.485 1.00 40.33 H new ATOM 0 HB VAL A 78 1.308 6.364 1.167 1.00 3.42 H new ATOM 0 HG11 VAL A 78 0.911 8.708 0.533 1.00 1.42 H new ATOM 0 HG12 VAL A 78 1.750 8.579 2.096 1.00 1.42 H new ATOM 0 HG13 VAL A 78 2.658 9.027 0.633 1.00 1.42 H new ATOM 0 HG21 VAL A 78 1.253 6.993 -1.214 1.00 13.44 H new ATOM 0 HG22 VAL A 78 3.015 7.241 -1.184 1.00 13.44 H new ATOM 0 HG23 VAL A 78 2.341 5.615 -0.919 1.00 13.44 H new ATOM 1313 N PRO A 79 3.031 4.272 2.278 1.00 52.03 N ATOM 1314 CA PRO A 79 3.091 2.807 2.296 1.00 35.30 C ATOM 1315 C PRO A 79 2.234 2.179 1.202 1.00 34.13 C ATOM 1316 O PRO A 79 1.027 2.414 1.134 1.00 75.02 O ATOM 1317 CB PRO A 79 2.539 2.448 3.679 1.00 21.23 C ATOM 1318 CG PRO A 79 1.668 3.598 4.050 1.00 30.41 C ATOM 1319 CD PRO A 79 2.304 4.814 3.438 1.00 71.12 C ATOM 0 HA PRO A 79 4.100 2.437 2.114 1.00 35.30 H new ATOM 0 HB2 PRO A 79 1.974 1.517 3.650 1.00 21.23 H new ATOM 0 HB3 PRO A 79 3.343 2.311 4.402 1.00 21.23 H new ATOM 0 HG2 PRO A 79 0.655 3.457 3.674 1.00 30.41 H new ATOM 0 HG3 PRO A 79 1.595 3.699 5.133 1.00 30.41 H new ATOM 0 HD2 PRO A 79 1.558 5.549 3.137 1.00 71.12 H new ATOM 0 HD3 PRO A 79 2.977 5.311 4.137 1.00 71.12 H new ATOM 1327 N SER A 80 2.866 1.379 0.349 1.00 33.05 N ATOM 1328 CA SER A 80 2.161 0.720 -0.743 1.00 51.32 C ATOM 1329 C SER A 80 1.015 -0.137 -0.214 1.00 1.31 C ATOM 1330 O SER A 80 0.086 -0.474 -0.948 1.00 2.13 O ATOM 1331 CB SER A 80 3.129 -0.147 -1.553 1.00 13.41 C ATOM 1332 OG SER A 80 3.517 -1.296 -0.822 1.00 3.24 O ATOM 0 H SER A 80 3.864 1.172 0.393 1.00 33.05 H new ATOM 0 HA SER A 80 1.744 1.492 -1.391 1.00 51.32 H new ATOM 0 HB2 SER A 80 2.657 -0.449 -2.488 1.00 13.41 H new ATOM 0 HB3 SER A 80 4.012 0.436 -1.816 1.00 13.41 H new ATOM 0 HG SER A 80 4.281 -1.077 -0.249 1.00 3.24 H new ATOM 1338 N ASN A 81 1.089 -0.485 1.065 1.00 21.34 N ATOM 1339 CA ASN A 81 0.059 -1.304 1.696 1.00 43.51 C ATOM 1340 C ASN A 81 -1.256 -0.536 1.803 1.00 41.04 C ATOM 1341 O ASN A 81 -2.336 -1.123 1.738 1.00 62.03 O ATOM 1342 CB ASN A 81 0.515 -1.753 3.086 1.00 33.43 C ATOM 1343 CG ASN A 81 1.339 -3.025 3.040 1.00 0.25 C ATOM 1344 OD1 ASN A 81 1.621 -3.557 1.967 1.00 30.32 O ATOM 1345 ND2 ASN A 81 1.730 -3.520 4.210 1.00 13.45 N ATOM 0 H ASN A 81 1.851 -0.213 1.686 1.00 21.34 H new ATOM 0 HA ASN A 81 -0.103 -2.184 1.073 1.00 43.51 H new ATOM 0 HB2 ASN A 81 1.103 -0.959 3.547 1.00 33.43 H new ATOM 0 HB3 ASN A 81 -0.358 -1.912 3.719 1.00 33.43 H new ATOM 0 HD21 ASN A 81 2.287 -4.374 4.242 1.00 13.45 H new ATOM 0 HD22 ASN A 81 1.473 -3.046 5.076 1.00 13.45 H new ATOM 1352 N TYR A 82 -1.156 0.778 1.966 1.00 64.41 N ATOM 1353 CA TYR A 82 -2.335 1.626 2.084 1.00 3.25 C ATOM 1354 C TYR A 82 -2.717 2.219 0.730 1.00 31.55 C ATOM 1355 O TYR A 82 -3.654 3.012 0.629 1.00 22.10 O ATOM 1356 CB TYR A 82 -2.084 2.748 3.093 1.00 13.32 C ATOM 1357 CG TYR A 82 -1.869 2.255 4.506 1.00 72.20 C ATOM 1358 CD1 TYR A 82 -0.706 1.579 4.856 1.00 24.40 C ATOM 1359 CD2 TYR A 82 -2.827 2.463 5.489 1.00 32.42 C ATOM 1360 CE1 TYR A 82 -0.504 1.126 6.146 1.00 74.11 C ATOM 1361 CE2 TYR A 82 -2.633 2.014 6.782 1.00 11.33 C ATOM 1362 CZ TYR A 82 -1.472 1.346 7.104 1.00 23.54 C ATOM 1363 OH TYR A 82 -1.275 0.897 8.391 1.00 55.32 O ATOM 0 H TYR A 82 -0.269 1.279 2.019 1.00 64.41 H new ATOM 0 HA TYR A 82 -3.161 1.009 2.436 1.00 3.25 H new ATOM 0 HB2 TYR A 82 -1.210 3.318 2.779 1.00 13.32 H new ATOM 0 HB3 TYR A 82 -2.932 3.432 3.081 1.00 13.32 H new ATOM 0 HD1 TYR A 82 0.053 1.405 4.107 1.00 24.40 H new ATOM 0 HD2 TYR A 82 -3.739 2.984 5.239 1.00 32.42 H new ATOM 0 HE1 TYR A 82 0.406 0.603 6.402 1.00 74.11 H new ATOM 0 HE2 TYR A 82 -3.387 2.186 7.535 1.00 11.33 H new ATOM 0 HH TYR A 82 -1.024 -0.050 8.372 1.00 55.32 H new ATOM 1373 N VAL A 83 -1.983 1.829 -0.307 1.00 14.34 N ATOM 1374 CA VAL A 83 -2.245 2.319 -1.654 1.00 41.44 C ATOM 1375 C VAL A 83 -2.475 1.166 -2.625 1.00 61.30 C ATOM 1376 O VAL A 83 -2.091 0.028 -2.353 1.00 11.32 O ATOM 1377 CB VAL A 83 -1.081 3.187 -2.172 1.00 34.23 C ATOM 1378 CG1 VAL A 83 -0.107 2.346 -2.981 1.00 74.22 C ATOM 1379 CG2 VAL A 83 -1.611 4.349 -2.998 1.00 63.04 C ATOM 0 H VAL A 83 -1.203 1.175 -0.240 1.00 14.34 H new ATOM 0 HA VAL A 83 -3.147 2.928 -1.598 1.00 41.44 H new ATOM 0 HB VAL A 83 -0.545 3.595 -1.315 1.00 34.23 H new ATOM 0 HG11 VAL A 83 0.708 2.976 -3.338 1.00 74.22 H new ATOM 0 HG12 VAL A 83 0.297 1.552 -2.353 1.00 74.22 H new ATOM 0 HG13 VAL A 83 -0.626 1.906 -3.833 1.00 74.22 H new ATOM 0 HG21 VAL A 83 -0.776 4.952 -3.356 1.00 63.04 H new ATOM 0 HG22 VAL A 83 -2.172 3.964 -3.850 1.00 63.04 H new ATOM 0 HG23 VAL A 83 -2.265 4.965 -2.381 1.00 63.04 H new ATOM 1389 N GLU A 84 -3.102 1.468 -3.757 1.00 42.10 N ATOM 1390 CA GLU A 84 -3.382 0.455 -4.768 1.00 43.23 C ATOM 1391 C GLU A 84 -3.646 1.100 -6.126 1.00 73.40 C ATOM 1392 O GLU A 84 -4.627 1.824 -6.300 1.00 44.12 O ATOM 1393 CB GLU A 84 -4.585 -0.394 -4.351 1.00 30.00 C ATOM 1394 CG GLU A 84 -5.024 -1.389 -5.413 1.00 20.43 C ATOM 1395 CD GLU A 84 -3.940 -2.392 -5.755 1.00 75.22 C ATOM 1396 OE1 GLU A 84 -2.895 -1.975 -6.296 1.00 51.33 O ATOM 1397 OE2 GLU A 84 -4.137 -3.595 -5.482 1.00 32.32 O ATOM 0 H GLU A 84 -3.426 2.405 -3.997 1.00 42.10 H new ATOM 0 HA GLU A 84 -2.506 -0.187 -4.855 1.00 43.23 H new ATOM 0 HB2 GLU A 84 -4.338 -0.935 -3.438 1.00 30.00 H new ATOM 0 HB3 GLU A 84 -5.420 0.265 -4.115 1.00 30.00 H new ATOM 0 HG2 GLU A 84 -5.909 -1.921 -5.064 1.00 20.43 H new ATOM 0 HG3 GLU A 84 -5.312 -0.849 -6.315 1.00 20.43 H new ATOM 1404 N ARG A 85 -2.765 0.832 -7.084 1.00 72.33 N ATOM 1405 CA ARG A 85 -2.902 1.386 -8.425 1.00 52.11 C ATOM 1406 C ARG A 85 -4.012 0.678 -9.195 1.00 14.10 C ATOM 1407 O ARG A 85 -4.426 -0.425 -8.837 1.00 42.25 O ATOM 1408 CB ARG A 85 -1.581 1.265 -9.187 1.00 25.15 C ATOM 1409 CG ARG A 85 -1.099 -0.168 -9.347 1.00 4.21 C ATOM 1410 CD ARG A 85 0.353 -0.220 -9.792 1.00 11.21 C ATOM 1411 NE ARG A 85 1.191 -0.949 -8.843 1.00 20.13 N ATOM 1412 CZ ARG A 85 2.482 -1.192 -9.037 1.00 30.43 C ATOM 1413 NH1 ARG A 85 3.081 -0.768 -10.142 1.00 33.31 N ATOM 1414 NH2 ARG A 85 3.177 -1.861 -8.127 1.00 72.44 N ATOM 0 H ARG A 85 -1.948 0.234 -6.956 1.00 72.33 H new ATOM 0 HA ARG A 85 -3.164 2.440 -8.331 1.00 52.11 H new ATOM 0 HB2 ARG A 85 -1.698 1.712 -10.174 1.00 25.15 H new ATOM 0 HB3 ARG A 85 -0.816 1.840 -8.665 1.00 25.15 H new ATOM 0 HG2 ARG A 85 -1.210 -0.698 -8.401 1.00 4.21 H new ATOM 0 HG3 ARG A 85 -1.723 -0.684 -10.077 1.00 4.21 H new ATOM 0 HD2 ARG A 85 0.415 -0.696 -10.771 1.00 11.21 H new ATOM 0 HD3 ARG A 85 0.734 0.795 -9.906 1.00 11.21 H new ATOM 0 HE ARG A 85 0.760 -1.290 -7.984 1.00 20.13 H new ATOM 0 HH11 ARG A 85 2.550 -0.254 -10.845 1.00 33.31 H new ATOM 0 HH12 ARG A 85 4.073 -0.956 -10.289 1.00 33.31 H new ATOM 0 HH21 ARG A 85 2.720 -2.190 -7.276 1.00 72.44 H new ATOM 0 HH22 ARG A 85 4.169 -2.047 -8.278 1.00 72.44 H new ATOM 1428 N LYS A 86 -4.493 1.320 -10.255 1.00 23.41 N ATOM 1429 CA LYS A 86 -5.555 0.754 -11.077 1.00 63.31 C ATOM 1430 C LYS A 86 -5.101 -0.546 -11.732 1.00 44.13 C ATOM 1431 O LYS A 86 -5.878 -1.492 -11.865 1.00 23.23 O ATOM 1432 CB LYS A 86 -5.987 1.755 -12.151 1.00 24.23 C ATOM 1433 CG LYS A 86 -4.851 2.200 -13.057 1.00 2.45 C ATOM 1434 CD LYS A 86 -4.908 3.695 -13.326 1.00 41.50 C ATOM 1435 CE LYS A 86 -4.017 4.085 -14.497 1.00 50.22 C ATOM 1436 NZ LYS A 86 -4.553 3.584 -15.793 1.00 14.33 N ATOM 0 H LYS A 86 -4.163 2.234 -10.565 1.00 23.41 H new ATOM 0 HA LYS A 86 -6.405 0.537 -10.429 1.00 63.31 H new ATOM 0 HB2 LYS A 86 -6.772 1.306 -12.760 1.00 24.23 H new ATOM 0 HB3 LYS A 86 -6.420 2.631 -11.667 1.00 24.23 H new ATOM 0 HG2 LYS A 86 -3.896 1.948 -12.596 1.00 2.45 H new ATOM 0 HG3 LYS A 86 -4.902 1.657 -14.001 1.00 2.45 H new ATOM 0 HD2 LYS A 86 -5.936 3.989 -13.536 1.00 41.50 H new ATOM 0 HD3 LYS A 86 -4.597 4.239 -12.434 1.00 41.50 H new ATOM 0 HE2 LYS A 86 -3.925 5.170 -14.537 1.00 50.22 H new ATOM 0 HE3 LYS A 86 -3.015 3.686 -14.340 1.00 50.22 H new ATOM 0 HZ1 LYS A 86 -4.112 4.107 -16.576 1.00 14.33 H new ATOM 0 HZ2 LYS A 86 -4.338 2.571 -15.889 1.00 14.33 H new ATOM 0 HZ3 LYS A 86 -5.583 3.723 -15.820 1.00 14.33 H new TER 1450 LYS A 86