USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 916 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.46 K(o=-0.46,f=-3.6!) USER MOD Single : A 9 SER OG : rot 55:sc= 0.012 USER MOD Single : A 12 GLN : amide:sc= 0.182 X(o=0.18,f=0.01) USER MOD Single : A 14 HIS : no HE2:sc= -0.287 K(o=-0.29,f=-1) USER MOD Single : A 20 THR OG1 : rot 38:sc= 0.0883 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.23) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.226) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -15:sc= -1.24 USER MOD Single : A 50 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.052) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 57 HIS : no HE2:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 59 GLN : amide:sc= -3.63 K(o=-3.6,f=-12!) USER MOD Single : A 63 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.787 USER MOD Single : A 82 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.049) USER MOD Single : A 92 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.23 K(o=-2.2,f=-3.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 79:sc= 0.0423 USER MOD Single : A 98 SER OG : rot -46:sc= 0.566 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.0954 K(o=-0.095,f=-0.6) USER MOD Single : A 105 MET CE :methyl 164:sc= -1.65 (180deg=-2.85) USER MOD Single : A 107 CYS SG : rot 33:sc= 0.288 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 20.049 10.893 6.352 1.00 5.15 N ATOM 2 CA PRO A 2 20.354 9.856 7.342 1.00 23.42 C ATOM 3 C PRO A 2 20.472 8.471 6.713 1.00 1.44 C ATOM 4 O PRO A 2 19.623 8.065 5.921 1.00 73.04 O ATOM 5 CB PRO A 2 19.157 9.910 8.294 1.00 54.42 C ATOM 6 CG PRO A 2 18.045 10.465 7.472 1.00 52.00 C ATOM 7 CD PRO A 2 18.683 11.421 6.503 1.00 2.40 C ATOM 0 HA PRO A 2 21.313 10.029 7.831 1.00 23.42 H new ATOM 0 HB2 PRO A 2 18.910 8.920 8.677 1.00 54.42 H new ATOM 0 HB3 PRO A 2 19.365 10.542 9.157 1.00 54.42 H new ATOM 0 HG2 PRO A 2 17.515 9.671 6.945 1.00 52.00 H new ATOM 0 HG3 PRO A 2 17.313 10.975 8.099 1.00 52.00 H new ATOM 0 HD2 PRO A 2 18.153 11.442 5.551 1.00 2.40 H new ATOM 0 HD3 PRO A 2 18.687 12.441 6.888 1.00 2.40 H new ATOM 15 N SER A 3 21.530 7.751 7.073 1.00 41.44 N ATOM 16 CA SER A 3 21.761 6.413 6.541 1.00 54.44 C ATOM 17 C SER A 3 21.735 5.373 7.656 1.00 11.34 C ATOM 18 O SER A 3 21.605 5.711 8.833 1.00 21.34 O ATOM 19 CB SER A 3 23.102 6.357 5.806 1.00 13.55 C ATOM 20 OG SER A 3 23.455 7.630 5.293 1.00 64.11 O ATOM 0 H SER A 3 22.241 8.072 7.731 1.00 41.44 H new ATOM 0 HA SER A 3 20.960 6.186 5.837 1.00 54.44 H new ATOM 0 HB2 SER A 3 23.879 6.007 6.486 1.00 13.55 H new ATOM 0 HB3 SER A 3 23.044 5.636 4.991 1.00 13.55 H new ATOM 0 HG SER A 3 24.316 7.569 4.829 1.00 64.11 H new ATOM 26 N LYS A 4 21.860 4.106 7.278 1.00 74.30 N ATOM 27 CA LYS A 4 21.852 3.014 8.244 1.00 24.14 C ATOM 28 C LYS A 4 22.848 1.929 7.847 1.00 3.11 C ATOM 29 O LYS A 4 23.043 1.653 6.663 1.00 53.50 O ATOM 30 CB LYS A 4 20.448 2.415 8.358 1.00 5.41 C ATOM 31 CG LYS A 4 20.169 1.771 9.705 1.00 63.12 C ATOM 32 CD LYS A 4 19.823 2.809 10.759 1.00 54.23 C ATOM 33 CE LYS A 4 20.874 2.862 11.856 1.00 4.11 C ATOM 34 NZ LYS A 4 20.672 1.791 12.871 1.00 53.13 N ATOM 0 H LYS A 4 21.968 3.809 6.308 1.00 74.30 H new ATOM 0 HA LYS A 4 22.147 3.418 9.212 1.00 24.14 H new ATOM 0 HB2 LYS A 4 19.712 3.199 8.180 1.00 5.41 H new ATOM 0 HB3 LYS A 4 20.315 1.670 7.574 1.00 5.41 H new ATOM 0 HG2 LYS A 4 19.346 1.063 9.607 1.00 63.12 H new ATOM 0 HG3 LYS A 4 21.042 1.203 10.025 1.00 63.12 H new ATOM 0 HD2 LYS A 4 19.735 3.789 10.290 1.00 54.23 H new ATOM 0 HD3 LYS A 4 18.852 2.576 11.195 1.00 54.23 H new ATOM 0 HE2 LYS A 4 21.865 2.761 11.414 1.00 4.11 H new ATOM 0 HE3 LYS A 4 20.840 3.836 12.344 1.00 4.11 H new ATOM 0 HZ1 LYS A 4 21.409 1.862 13.602 1.00 53.13 H new ATOM 0 HZ2 LYS A 4 19.736 1.902 13.311 1.00 53.13 H new ATOM 0 HZ3 LYS A 4 20.730 0.861 12.410 1.00 53.13 H new ATOM 48 N LYS A 5 23.476 1.315 8.844 1.00 22.11 N ATOM 49 CA LYS A 5 24.450 0.258 8.600 1.00 62.22 C ATOM 50 C LYS A 5 23.757 -1.089 8.416 1.00 43.42 C ATOM 51 O LYS A 5 23.054 -1.562 9.307 1.00 11.11 O ATOM 52 CB LYS A 5 25.447 0.176 9.759 1.00 54.45 C ATOM 53 CG LYS A 5 26.686 1.030 9.556 1.00 44.03 C ATOM 54 CD LYS A 5 26.371 2.511 9.686 1.00 24.23 C ATOM 55 CE LYS A 5 26.202 3.167 8.324 1.00 31.35 C ATOM 56 NZ LYS A 5 27.514 3.484 7.695 1.00 75.24 N ATOM 0 H LYS A 5 23.328 1.532 9.830 1.00 22.11 H new ATOM 0 HA LYS A 5 24.987 0.499 7.683 1.00 62.22 H new ATOM 0 HB2 LYS A 5 24.949 0.485 10.678 1.00 54.45 H new ATOM 0 HB3 LYS A 5 25.750 -0.862 9.894 1.00 54.45 H new ATOM 0 HG2 LYS A 5 27.444 0.753 10.289 1.00 44.03 H new ATOM 0 HG3 LYS A 5 27.108 0.832 8.571 1.00 44.03 H new ATOM 0 HD2 LYS A 5 25.459 2.640 10.269 1.00 24.23 H new ATOM 0 HD3 LYS A 5 27.172 3.008 10.233 1.00 24.23 H new ATOM 0 HE2 LYS A 5 25.636 2.504 7.669 1.00 31.35 H new ATOM 0 HE3 LYS A 5 25.620 4.082 8.431 1.00 31.35 H new ATOM 0 HZ1 LYS A 5 27.356 3.930 6.769 1.00 75.24 H new ATOM 0 HZ2 LYS A 5 28.044 4.136 8.307 1.00 75.24 H new ATOM 0 HZ3 LYS A 5 28.059 2.607 7.569 1.00 75.24 H new ATOM 70 N ASN A 6 23.962 -1.701 7.254 1.00 45.30 N ATOM 71 CA ASN A 6 23.358 -2.993 6.954 1.00 72.50 C ATOM 72 C ASN A 6 24.039 -4.108 7.742 1.00 73.50 C ATOM 73 O ASN A 6 25.004 -3.871 8.466 1.00 2.33 O ATOM 74 CB ASN A 6 23.447 -3.286 5.455 1.00 55.23 C ATOM 75 CG ASN A 6 24.873 -3.245 4.941 1.00 31.22 C ATOM 76 OD1 ASN A 6 25.814 -3.035 5.706 1.00 1.13 O ATOM 77 ND2 ASN A 6 25.039 -3.447 3.639 1.00 13.31 N ATOM 0 H ASN A 6 24.542 -1.322 6.505 1.00 45.30 H new ATOM 0 HA ASN A 6 22.309 -2.952 7.248 1.00 72.50 H new ATOM 0 HB2 ASN A 6 23.019 -4.268 5.254 1.00 55.23 H new ATOM 0 HB3 ASN A 6 22.846 -2.559 4.909 1.00 55.23 H new ATOM 0 HD21 ASN A 6 25.976 -3.432 3.236 1.00 13.31 H new ATOM 0 HD22 ASN A 6 24.230 -3.617 3.042 1.00 13.31 H new ATOM 84 N GLY A 7 23.528 -5.327 7.594 1.00 30.34 N ATOM 85 CA GLY A 7 24.099 -6.461 8.298 1.00 60.05 C ATOM 86 C GLY A 7 23.988 -7.750 7.507 1.00 52.51 C ATOM 87 O GLY A 7 24.996 -8.317 7.087 1.00 25.12 O ATOM 0 H GLY A 7 22.729 -5.549 7.000 1.00 30.34 H new ATOM 0 HA2 GLY A 7 25.148 -6.260 8.514 1.00 60.05 H new ATOM 0 HA3 GLY A 7 23.594 -6.582 9.256 1.00 60.05 H new ATOM 91 N ARG A 8 22.759 -8.214 7.304 1.00 0.55 N ATOM 92 CA ARG A 8 22.520 -9.445 6.562 1.00 41.05 C ATOM 93 C ARG A 8 21.073 -9.520 6.085 1.00 74.21 C ATOM 94 O ARG A 8 20.237 -10.177 6.706 1.00 2.03 O ATOM 95 CB ARG A 8 22.846 -10.661 7.430 1.00 21.23 C ATOM 96 CG ARG A 8 23.129 -11.923 6.631 1.00 54.32 C ATOM 97 CD ARG A 8 23.572 -13.065 7.531 1.00 24.10 C ATOM 98 NE ARG A 8 22.661 -13.262 8.655 1.00 74.53 N ATOM 99 CZ ARG A 8 22.866 -14.152 9.620 1.00 54.31 C ATOM 100 NH1 ARG A 8 23.945 -14.921 9.599 1.00 62.12 N ATOM 101 NH2 ARG A 8 21.990 -14.272 10.609 1.00 32.34 N ATOM 0 H ARG A 8 21.914 -7.755 7.643 1.00 0.55 H new ATOM 0 HA ARG A 8 23.173 -9.446 5.689 1.00 41.05 H new ATOM 0 HB2 ARG A 8 23.713 -10.432 8.050 1.00 21.23 H new ATOM 0 HB3 ARG A 8 22.011 -10.849 8.106 1.00 21.23 H new ATOM 0 HG2 ARG A 8 22.233 -12.216 6.083 1.00 54.32 H new ATOM 0 HG3 ARG A 8 23.903 -11.720 5.891 1.00 54.32 H new ATOM 0 HD2 ARG A 8 23.632 -13.984 6.948 1.00 24.10 H new ATOM 0 HD3 ARG A 8 24.574 -12.861 7.908 1.00 24.10 H new ATOM 0 HE ARG A 8 21.821 -12.685 8.702 1.00 74.53 H new ATOM 0 HH11 ARG A 8 24.621 -14.831 8.841 1.00 62.12 H new ATOM 0 HH12 ARG A 8 24.100 -15.603 10.341 1.00 62.12 H new ATOM 0 HH21 ARG A 8 21.159 -13.681 10.629 1.00 32.34 H new ATOM 0 HH22 ARG A 8 22.148 -14.955 11.350 1.00 32.34 H new ATOM 115 N SER A 9 20.783 -8.843 4.978 1.00 3.24 N ATOM 116 CA SER A 9 19.436 -8.829 4.421 1.00 60.23 C ATOM 117 C SER A 9 19.442 -8.273 3.000 1.00 12.21 C ATOM 118 O SER A 9 19.924 -7.168 2.756 1.00 11.42 O ATOM 119 CB SER A 9 18.504 -7.996 5.303 1.00 24.10 C ATOM 120 OG SER A 9 17.546 -8.816 5.949 1.00 12.20 O ATOM 0 H SER A 9 21.463 -8.297 4.449 1.00 3.24 H new ATOM 0 HA SER A 9 19.072 -9.856 4.390 1.00 60.23 H new ATOM 0 HB2 SER A 9 19.089 -7.458 6.049 1.00 24.10 H new ATOM 0 HB3 SER A 9 17.996 -7.247 4.695 1.00 24.10 H new ATOM 0 HG SER A 9 18.005 -9.523 6.449 1.00 12.20 H new ATOM 126 N GLY A 10 18.902 -9.049 2.065 1.00 15.40 N ATOM 127 CA GLY A 10 18.854 -8.618 0.680 1.00 2.21 C ATOM 128 C GLY A 10 18.001 -7.380 0.487 1.00 74.13 C ATOM 129 O GLY A 10 18.505 -6.285 0.239 1.00 51.34 O ATOM 0 H GLY A 10 18.497 -9.968 2.242 1.00 15.40 H new ATOM 0 HA2 GLY A 10 19.866 -8.416 0.330 1.00 2.21 H new ATOM 0 HA3 GLY A 10 18.460 -9.427 0.065 1.00 2.21 H new ATOM 133 N PRO A 11 16.675 -7.548 0.599 1.00 14.52 N ATOM 134 CA PRO A 11 15.721 -6.446 0.438 1.00 41.15 C ATOM 135 C PRO A 11 15.791 -5.445 1.586 1.00 30.52 C ATOM 136 O PRO A 11 16.103 -5.810 2.719 1.00 0.35 O ATOM 137 CB PRO A 11 14.363 -7.152 0.425 1.00 52.52 C ATOM 138 CG PRO A 11 14.586 -8.416 1.180 1.00 33.12 C ATOM 139 CD PRO A 11 16.004 -8.825 0.894 1.00 60.15 C ATOM 0 HA PRO A 11 15.922 -5.861 -0.460 1.00 41.15 H new ATOM 0 HB2 PRO A 11 13.594 -6.540 0.896 1.00 52.52 H new ATOM 0 HB3 PRO A 11 14.031 -7.353 -0.594 1.00 52.52 H new ATOM 0 HG2 PRO A 11 14.432 -8.265 2.248 1.00 33.12 H new ATOM 0 HG3 PRO A 11 13.886 -9.189 0.863 1.00 33.12 H new ATOM 0 HD2 PRO A 11 16.457 -9.329 1.748 1.00 60.15 H new ATOM 0 HD3 PRO A 11 16.061 -9.513 0.051 1.00 60.15 H new ATOM 147 N GLN A 12 15.498 -4.184 1.285 1.00 22.41 N ATOM 148 CA GLN A 12 15.528 -3.132 2.294 1.00 44.01 C ATOM 149 C GLN A 12 14.175 -2.435 2.394 1.00 24.35 C ATOM 150 O GLN A 12 13.346 -2.504 1.487 1.00 13.45 O ATOM 151 CB GLN A 12 16.618 -2.111 1.963 1.00 10.41 C ATOM 152 CG GLN A 12 17.875 -2.268 2.804 1.00 53.32 C ATOM 153 CD GLN A 12 18.567 -3.597 2.576 1.00 34.23 C ATOM 154 OE1 GLN A 12 19.132 -3.841 1.510 1.00 22.31 O ATOM 155 NE2 GLN A 12 18.526 -4.466 3.580 1.00 54.31 N ATOM 0 H GLN A 12 15.237 -3.866 0.351 1.00 22.41 H new ATOM 0 HA GLN A 12 15.751 -3.592 3.257 1.00 44.01 H new ATOM 0 HB2 GLN A 12 16.882 -2.203 0.909 1.00 10.41 H new ATOM 0 HB3 GLN A 12 16.219 -1.107 2.105 1.00 10.41 H new ATOM 0 HG2 GLN A 12 18.566 -1.458 2.572 1.00 53.32 H new ATOM 0 HG3 GLN A 12 17.616 -2.174 3.859 1.00 53.32 H new ATOM 0 HE21 GLN A 12 18.046 -4.222 4.446 1.00 54.31 H new ATOM 0 HE22 GLN A 12 18.974 -5.377 3.484 1.00 54.31 H new ATOM 164 N PRO A 13 13.945 -1.749 3.523 1.00 4.35 N ATOM 165 CA PRO A 13 12.694 -1.026 3.769 1.00 10.04 C ATOM 166 C PRO A 13 12.549 0.202 2.877 1.00 74.10 C ATOM 167 O PRO A 13 13.539 0.828 2.499 1.00 4.25 O ATOM 168 CB PRO A 13 12.808 -0.609 5.238 1.00 73.31 C ATOM 169 CG PRO A 13 14.272 -0.554 5.504 1.00 45.14 C ATOM 170 CD PRO A 13 14.890 -1.624 4.647 1.00 74.43 C ATOM 0 HA PRO A 13 11.820 -1.640 3.552 1.00 10.04 H new ATOM 0 HB2 PRO A 13 12.337 0.359 5.412 1.00 73.31 H new ATOM 0 HB3 PRO A 13 12.313 -1.327 5.893 1.00 73.31 H new ATOM 0 HG2 PRO A 13 14.677 0.427 5.256 1.00 45.14 H new ATOM 0 HG3 PRO A 13 14.484 -0.728 6.559 1.00 45.14 H new ATOM 0 HD2 PRO A 13 15.885 -1.340 4.305 1.00 74.43 H new ATOM 0 HD3 PRO A 13 14.995 -2.563 5.190 1.00 74.43 H new ATOM 178 N HIS A 14 11.308 0.542 2.543 1.00 34.31 N ATOM 179 CA HIS A 14 11.033 1.696 1.695 1.00 10.43 C ATOM 180 C HIS A 14 9.826 2.474 2.211 1.00 73.02 C ATOM 181 O HIS A 14 9.202 2.089 3.200 1.00 1.12 O ATOM 182 CB HIS A 14 10.789 1.250 0.253 1.00 2.42 C ATOM 183 CG HIS A 14 12.006 0.687 -0.413 1.00 62.42 C ATOM 184 ND1 HIS A 14 12.347 -0.648 -0.353 1.00 60.11 N ATOM 185 CD2 HIS A 14 12.965 1.285 -1.159 1.00 34.13 C ATOM 186 CE1 HIS A 14 13.463 -0.846 -1.031 1.00 63.22 C ATOM 187 NE2 HIS A 14 13.858 0.311 -1.531 1.00 24.05 N ATOM 0 H HIS A 14 10.477 0.035 2.847 1.00 34.31 H new ATOM 0 HA HIS A 14 11.904 2.351 1.722 1.00 10.43 H new ATOM 0 HB2 HIS A 14 9.999 0.499 0.242 1.00 2.42 H new ATOM 0 HB3 HIS A 14 10.429 2.100 -0.326 1.00 2.42 H new ATOM 0 HD1 HIS A 14 11.820 -1.370 0.138 1.00 60.11 H new ATOM 0 HD2 HIS A 14 13.018 2.333 -1.414 1.00 34.13 H new ATOM 0 HE1 HIS A 14 13.967 -1.793 -1.155 1.00 63.22 H new ATOM 195 N LYS A 15 9.502 3.571 1.534 1.00 34.42 N ATOM 196 CA LYS A 15 8.369 4.403 1.922 1.00 22.04 C ATOM 197 C LYS A 15 7.174 4.157 1.007 1.00 31.33 C ATOM 198 O LYS A 15 6.251 4.969 0.944 1.00 33.34 O ATOM 199 CB LYS A 15 8.760 5.882 1.882 1.00 14.20 C ATOM 200 CG LYS A 15 9.452 6.294 0.594 1.00 32.42 C ATOM 201 CD LYS A 15 10.899 6.688 0.840 1.00 35.21 C ATOM 202 CE LYS A 15 11.697 6.714 -0.454 1.00 71.53 C ATOM 203 NZ LYS A 15 12.586 5.526 -0.581 1.00 24.00 N ATOM 0 H LYS A 15 10.008 3.904 0.714 1.00 34.42 H new ATOM 0 HA LYS A 15 8.085 4.135 2.940 1.00 22.04 H new ATOM 0 HB2 LYS A 15 7.865 6.489 2.014 1.00 14.20 H new ATOM 0 HB3 LYS A 15 9.418 6.098 2.723 1.00 14.20 H new ATOM 0 HG2 LYS A 15 9.414 5.471 -0.120 1.00 32.42 H new ATOM 0 HG3 LYS A 15 8.917 7.131 0.144 1.00 32.42 H new ATOM 0 HD2 LYS A 15 10.935 7.671 1.311 1.00 35.21 H new ATOM 0 HD3 LYS A 15 11.355 5.984 1.536 1.00 35.21 H new ATOM 0 HE2 LYS A 15 11.013 6.748 -1.302 1.00 71.53 H new ATOM 0 HE3 LYS A 15 12.298 7.623 -0.492 1.00 71.53 H new ATOM 0 HZ1 LYS A 15 13.113 5.581 -1.476 1.00 24.00 H new ATOM 0 HZ2 LYS A 15 13.256 5.507 0.214 1.00 24.00 H new ATOM 0 HZ3 LYS A 15 12.011 4.659 -0.570 1.00 24.00 H new ATOM 217 N ARG A 16 7.197 3.031 0.301 1.00 42.21 N ATOM 218 CA ARG A 16 6.115 2.678 -0.610 1.00 42.42 C ATOM 219 C ARG A 16 5.817 1.183 -0.548 1.00 3.25 C ATOM 220 O ARG A 16 6.713 0.355 -0.710 1.00 22.34 O ATOM 221 CB ARG A 16 6.475 3.078 -2.042 1.00 61.04 C ATOM 222 CG ARG A 16 6.879 4.536 -2.185 1.00 4.35 C ATOM 223 CD ARG A 16 7.566 4.797 -3.516 1.00 61.21 C ATOM 224 NE ARG A 16 7.370 6.170 -3.974 1.00 31.32 N ATOM 225 CZ ARG A 16 6.267 6.591 -4.582 1.00 14.13 C ATOM 226 NH1 ARG A 16 5.266 5.750 -4.803 1.00 54.44 N ATOM 227 NH2 ARG A 16 6.163 7.856 -4.969 1.00 32.01 N ATOM 0 H ARG A 16 7.953 2.348 0.343 1.00 42.21 H new ATOM 0 HA ARG A 16 5.222 3.222 -0.301 1.00 42.42 H new ATOM 0 HB2 ARG A 16 7.293 2.448 -2.391 1.00 61.04 H new ATOM 0 HB3 ARG A 16 5.621 2.881 -2.690 1.00 61.04 H new ATOM 0 HG2 ARG A 16 5.996 5.169 -2.100 1.00 4.35 H new ATOM 0 HG3 ARG A 16 7.548 4.811 -1.369 1.00 4.35 H new ATOM 0 HD2 ARG A 16 8.633 4.596 -3.419 1.00 61.21 H new ATOM 0 HD3 ARG A 16 7.179 4.106 -4.265 1.00 61.21 H new ATOM 0 HE ARG A 16 8.121 6.842 -3.818 1.00 31.32 H new ATOM 0 HH11 ARG A 16 5.342 4.777 -4.506 1.00 54.44 H new ATOM 0 HH12 ARG A 16 4.420 6.076 -5.270 1.00 54.44 H new ATOM 0 HH21 ARG A 16 6.931 8.506 -4.800 1.00 32.01 H new ATOM 0 HH22 ARG A 16 5.315 8.178 -5.436 1.00 32.01 H new ATOM 241 N TRP A 17 4.555 0.847 -0.311 1.00 74.51 N ATOM 242 CA TRP A 17 4.139 -0.549 -0.226 1.00 50.03 C ATOM 243 C TRP A 17 2.685 -0.711 -0.656 1.00 41.01 C ATOM 244 O TRP A 17 1.821 0.074 -0.265 1.00 71.14 O ATOM 245 CB TRP A 17 4.324 -1.072 1.199 1.00 14.22 C ATOM 246 CG TRP A 17 5.759 -1.294 1.569 1.00 10.32 C ATOM 247 CD1 TRP A 17 6.583 -0.419 2.217 1.00 11.55 C ATOM 248 CD2 TRP A 17 6.539 -2.466 1.311 1.00 62.11 C ATOM 249 NE1 TRP A 17 7.828 -0.976 2.378 1.00 65.23 N ATOM 250 CE2 TRP A 17 7.827 -2.232 1.831 1.00 63.11 C ATOM 251 CE3 TRP A 17 6.275 -3.691 0.693 1.00 73.21 C ATOM 252 CZ2 TRP A 17 8.846 -3.178 1.749 1.00 34.14 C ATOM 253 CZ3 TRP A 17 7.287 -4.629 0.613 1.00 55.14 C ATOM 254 CH2 TRP A 17 8.559 -4.369 1.139 1.00 12.20 C ATOM 0 H TRP A 17 3.802 1.521 -0.174 1.00 74.51 H new ATOM 0 HA TRP A 17 4.765 -1.131 -0.903 1.00 50.03 H new ATOM 0 HB2 TRP A 17 3.881 -0.363 1.899 1.00 14.22 H new ATOM 0 HB3 TRP A 17 3.779 -2.010 1.308 1.00 14.22 H new ATOM 0 HD1 TRP A 17 6.298 0.567 2.554 1.00 11.55 H new ATOM 0 HE1 TRP A 17 8.624 -0.527 2.831 1.00 65.23 H new ATOM 0 HE3 TRP A 17 5.297 -3.901 0.285 1.00 73.21 H new ATOM 0 HZ2 TRP A 17 9.828 -2.979 2.152 1.00 34.14 H new ATOM 0 HZ3 TRP A 17 7.094 -5.579 0.137 1.00 55.14 H new ATOM 0 HH2 TRP A 17 9.328 -5.123 1.062 1.00 12.20 H new ATOM 265 N VAL A 18 2.421 -1.734 -1.463 1.00 23.24 N ATOM 266 CA VAL A 18 1.071 -2.000 -1.944 1.00 51.53 C ATOM 267 C VAL A 18 0.482 -3.236 -1.275 1.00 13.13 C ATOM 268 O VAL A 18 1.208 -4.059 -0.717 1.00 1.32 O ATOM 269 CB VAL A 18 1.048 -2.197 -3.472 1.00 5.53 C ATOM 270 CG1 VAL A 18 1.597 -0.966 -4.177 1.00 42.31 C ATOM 271 CG2 VAL A 18 1.836 -3.439 -3.860 1.00 34.01 C ATOM 0 H VAL A 18 3.125 -2.392 -1.797 1.00 23.24 H new ATOM 0 HA VAL A 18 0.467 -1.129 -1.688 1.00 51.53 H new ATOM 0 HB VAL A 18 0.014 -2.337 -3.788 1.00 5.53 H new ATOM 0 HG11 VAL A 18 1.573 -1.123 -5.255 1.00 42.31 H new ATOM 0 HG12 VAL A 18 0.987 -0.099 -3.923 1.00 42.31 H new ATOM 0 HG13 VAL A 18 2.625 -0.792 -3.858 1.00 42.31 H new ATOM 0 HG21 VAL A 18 1.809 -3.563 -4.943 1.00 34.01 H new ATOM 0 HG22 VAL A 18 2.870 -3.331 -3.532 1.00 34.01 H new ATOM 0 HG23 VAL A 18 1.394 -4.314 -3.383 1.00 34.01 H new ATOM 281 N PHE A 19 -0.840 -3.361 -1.334 1.00 61.01 N ATOM 282 CA PHE A 19 -1.528 -4.497 -0.733 1.00 31.51 C ATOM 283 C PHE A 19 -2.637 -5.009 -1.649 1.00 5.44 C ATOM 284 O PHE A 19 -3.290 -4.232 -2.346 1.00 10.10 O ATOM 285 CB PHE A 19 -2.113 -4.106 0.626 1.00 53.05 C ATOM 286 CG PHE A 19 -3.020 -2.910 0.565 1.00 0.04 C ATOM 287 CD1 PHE A 19 -2.496 -1.628 0.528 1.00 41.11 C ATOM 288 CD2 PHE A 19 -4.396 -3.068 0.547 1.00 14.20 C ATOM 289 CE1 PHE A 19 -3.327 -0.525 0.472 1.00 33.22 C ATOM 290 CE2 PHE A 19 -5.233 -1.969 0.491 1.00 42.11 C ATOM 291 CZ PHE A 19 -4.698 -0.696 0.455 1.00 63.13 C ATOM 0 H PHE A 19 -1.456 -2.689 -1.792 1.00 61.01 H new ATOM 0 HA PHE A 19 -0.801 -5.296 -0.591 1.00 31.51 H new ATOM 0 HB2 PHE A 19 -2.667 -4.952 1.031 1.00 53.05 H new ATOM 0 HB3 PHE A 19 -1.297 -3.899 1.318 1.00 53.05 H new ATOM 0 HD1 PHE A 19 -1.425 -1.489 0.543 1.00 41.11 H new ATOM 0 HD2 PHE A 19 -4.820 -4.061 0.577 1.00 14.20 H new ATOM 0 HE1 PHE A 19 -2.905 0.469 0.442 1.00 33.22 H new ATOM 0 HE2 PHE A 19 -6.304 -2.106 0.475 1.00 42.11 H new ATOM 0 HZ PHE A 19 -5.350 0.164 0.414 1.00 63.13 H new ATOM 301 N THR A 20 -2.843 -6.322 -1.642 1.00 1.00 N ATOM 302 CA THR A 20 -3.870 -6.938 -2.472 1.00 61.51 C ATOM 303 C THR A 20 -4.434 -8.190 -1.810 1.00 62.41 C ATOM 304 O THR A 20 -3.686 -9.077 -1.396 1.00 5.22 O ATOM 305 CB THR A 20 -3.320 -7.310 -3.862 1.00 55.14 C ATOM 306 OG1 THR A 20 -2.192 -8.181 -3.727 1.00 33.35 O ATOM 307 CG2 THR A 20 -2.915 -6.064 -4.635 1.00 2.54 C ATOM 0 H THR A 20 -2.312 -6.979 -1.071 1.00 1.00 H new ATOM 0 HA THR A 20 -4.666 -6.202 -2.589 1.00 61.51 H new ATOM 0 HB THR A 20 -4.108 -7.821 -4.414 1.00 55.14 H new ATOM 0 HG1 THR A 20 -2.344 -8.801 -2.983 1.00 33.35 H new ATOM 0 HG21 THR A 20 -2.530 -6.352 -5.613 1.00 2.54 H new ATOM 0 HG22 THR A 20 -3.783 -5.417 -4.763 1.00 2.54 H new ATOM 0 HG23 THR A 20 -2.142 -5.529 -4.084 1.00 2.54 H new ATOM 315 N LEU A 21 -5.757 -8.258 -1.714 1.00 30.12 N ATOM 316 CA LEU A 21 -6.422 -9.403 -1.102 1.00 71.41 C ATOM 317 C LEU A 21 -7.670 -9.793 -1.889 1.00 4.44 C ATOM 318 O LEU A 21 -8.560 -8.972 -2.106 1.00 3.44 O ATOM 319 CB LEU A 21 -6.797 -9.087 0.347 1.00 41.43 C ATOM 320 CG LEU A 21 -7.425 -10.231 1.143 1.00 2.12 C ATOM 321 CD1 LEU A 21 -6.352 -11.030 1.866 1.00 64.23 C ATOM 322 CD2 LEU A 21 -8.449 -9.693 2.132 1.00 23.33 C ATOM 0 H LEU A 21 -6.391 -7.534 -2.052 1.00 30.12 H new ATOM 0 HA LEU A 21 -5.728 -10.244 -1.116 1.00 71.41 H new ATOM 0 HB2 LEU A 21 -5.899 -8.757 0.870 1.00 41.43 H new ATOM 0 HB3 LEU A 21 -7.492 -8.247 0.346 1.00 41.43 H new ATOM 0 HG LEU A 21 -7.936 -10.895 0.446 1.00 2.12 H new ATOM 0 HD11 LEU A 21 -6.818 -11.840 2.427 1.00 64.23 H new ATOM 0 HD12 LEU A 21 -5.656 -11.446 1.138 1.00 64.23 H new ATOM 0 HD13 LEU A 21 -5.812 -10.377 2.552 1.00 64.23 H new ATOM 0 HD21 LEU A 21 -8.886 -10.521 2.690 1.00 23.33 H new ATOM 0 HD22 LEU A 21 -7.961 -9.007 2.824 1.00 23.33 H new ATOM 0 HD23 LEU A 21 -9.235 -9.165 1.591 1.00 23.33 H new ATOM 334 N ASN A 22 -7.728 -11.051 -2.311 1.00 63.33 N ATOM 335 CA ASN A 22 -8.867 -11.550 -3.072 1.00 73.24 C ATOM 336 C ASN A 22 -10.076 -11.763 -2.166 1.00 22.12 C ATOM 337 O ASN A 22 -9.966 -12.366 -1.099 1.00 63.55 O ATOM 338 CB ASN A 22 -8.504 -12.861 -3.774 1.00 15.15 C ATOM 339 CG ASN A 22 -9.268 -13.054 -5.070 1.00 1.14 C ATOM 340 OD1 ASN A 22 -8.865 -12.555 -6.121 1.00 23.35 O ATOM 341 ND2 ASN A 22 -10.377 -13.780 -5.000 1.00 73.40 N ATOM 0 H ASN A 22 -7.000 -11.744 -2.139 1.00 63.33 H new ATOM 0 HA ASN A 22 -9.125 -10.803 -3.823 1.00 73.24 H new ATOM 0 HB2 ASN A 22 -7.434 -12.875 -3.981 1.00 15.15 H new ATOM 0 HB3 ASN A 22 -8.710 -13.697 -3.106 1.00 15.15 H new ATOM 0 HD21 ASN A 22 -10.933 -13.944 -5.839 1.00 73.40 H new ATOM 0 HD22 ASN A 22 -10.673 -14.174 -4.107 1.00 73.40 H new ATOM 348 N ASN A 23 -11.229 -11.263 -2.599 1.00 23.33 N ATOM 349 CA ASN A 23 -12.458 -11.399 -1.826 1.00 54.44 C ATOM 350 C ASN A 23 -12.250 -10.938 -0.387 1.00 12.30 C ATOM 351 O ASN A 23 -12.288 -11.728 0.556 1.00 61.51 O ATOM 352 CB ASN A 23 -12.939 -12.851 -1.844 1.00 52.01 C ATOM 353 CG ASN A 23 -14.220 -13.046 -1.055 1.00 43.24 C ATOM 354 OD1 ASN A 23 -14.342 -13.987 -0.271 1.00 43.21 O ATOM 355 ND2 ASN A 23 -15.182 -12.154 -1.261 1.00 33.43 N ATOM 0 H ASN A 23 -11.338 -10.761 -3.480 1.00 23.33 H new ATOM 0 HA ASN A 23 -13.218 -10.766 -2.285 1.00 54.44 H new ATOM 0 HB2 ASN A 23 -13.099 -13.165 -2.875 1.00 52.01 H new ATOM 0 HB3 ASN A 23 -12.161 -13.494 -1.433 1.00 52.01 H new ATOM 0 HD21 ASN A 23 -16.067 -12.233 -0.759 1.00 33.43 H new ATOM 0 HD22 ASN A 23 -15.036 -11.390 -1.921 1.00 33.43 H new ATOM 362 N PRO A 24 -12.026 -9.627 -0.212 1.00 43.10 N ATOM 363 CA PRO A 24 -11.808 -9.030 1.109 1.00 33.53 C ATOM 364 C PRO A 24 -13.074 -9.027 1.959 1.00 14.11 C ATOM 365 O PRO A 24 -14.186 -8.971 1.433 1.00 11.05 O ATOM 366 CB PRO A 24 -11.378 -7.598 0.785 1.00 2.32 C ATOM 367 CG PRO A 24 -11.972 -7.317 -0.551 1.00 55.44 C ATOM 368 CD PRO A 24 -11.967 -8.626 -1.291 1.00 33.14 C ATOM 0 HA PRO A 24 -11.075 -9.587 1.692 1.00 33.53 H new ATOM 0 HB2 PRO A 24 -11.742 -6.896 1.535 1.00 2.32 H new ATOM 0 HB3 PRO A 24 -10.292 -7.506 0.763 1.00 2.32 H new ATOM 0 HG2 PRO A 24 -12.986 -6.928 -0.453 1.00 55.44 H new ATOM 0 HG3 PRO A 24 -11.392 -6.565 -1.085 1.00 55.44 H new ATOM 0 HD2 PRO A 24 -12.820 -8.710 -1.965 1.00 33.14 H new ATOM 0 HD3 PRO A 24 -11.069 -8.741 -1.898 1.00 33.14 H new ATOM 376 N SER A 25 -12.898 -9.086 3.275 1.00 34.53 N ATOM 377 CA SER A 25 -14.028 -9.093 4.198 1.00 64.50 C ATOM 378 C SER A 25 -14.377 -7.676 4.640 1.00 4.41 C ATOM 379 O SER A 25 -13.544 -6.772 4.575 1.00 52.31 O ATOM 380 CB SER A 25 -13.709 -9.957 5.420 1.00 35.10 C ATOM 381 OG SER A 25 -14.829 -10.740 5.797 1.00 52.41 O ATOM 0 H SER A 25 -11.984 -9.130 3.726 1.00 34.53 H new ATOM 0 HA SER A 25 -14.888 -9.514 3.678 1.00 64.50 H new ATOM 0 HB2 SER A 25 -12.864 -10.609 5.198 1.00 35.10 H new ATOM 0 HB3 SER A 25 -13.410 -9.320 6.252 1.00 35.10 H new ATOM 0 HG SER A 25 -14.599 -11.284 6.579 1.00 52.41 H new ATOM 387 N GLU A 26 -15.614 -7.490 5.090 1.00 62.32 N ATOM 388 CA GLU A 26 -16.074 -6.182 5.542 1.00 64.51 C ATOM 389 C GLU A 26 -15.234 -5.686 6.716 1.00 71.53 C ATOM 390 O GLU A 26 -15.057 -4.482 6.901 1.00 64.32 O ATOM 391 CB GLU A 26 -17.548 -6.247 5.947 1.00 62.44 C ATOM 392 CG GLU A 26 -17.854 -7.339 6.958 1.00 22.02 C ATOM 393 CD GLU A 26 -18.384 -6.789 8.268 1.00 53.31 C ATOM 394 OE1 GLU A 26 -17.604 -6.142 8.998 1.00 54.30 O ATOM 395 OE2 GLU A 26 -19.578 -7.005 8.563 1.00 51.02 O ATOM 0 H GLU A 26 -16.315 -8.228 5.151 1.00 62.32 H new ATOM 0 HA GLU A 26 -15.962 -5.480 4.715 1.00 64.51 H new ATOM 0 HB2 GLU A 26 -17.844 -5.284 6.364 1.00 62.44 H new ATOM 0 HB3 GLU A 26 -18.154 -6.409 5.056 1.00 62.44 H new ATOM 0 HG2 GLU A 26 -18.586 -8.027 6.534 1.00 22.02 H new ATOM 0 HG3 GLU A 26 -16.949 -7.915 7.150 1.00 22.02 H new ATOM 402 N ASP A 27 -14.721 -6.623 7.506 1.00 63.14 N ATOM 403 CA ASP A 27 -13.899 -6.283 8.661 1.00 13.45 C ATOM 404 C ASP A 27 -12.487 -5.898 8.230 1.00 33.25 C ATOM 405 O ASP A 27 -11.956 -4.873 8.656 1.00 54.13 O ATOM 406 CB ASP A 27 -13.845 -7.457 9.639 1.00 35.25 C ATOM 407 CG ASP A 27 -14.053 -7.023 11.077 1.00 24.43 C ATOM 408 OD1 ASP A 27 -15.042 -6.309 11.345 1.00 23.44 O ATOM 409 OD2 ASP A 27 -13.226 -7.399 11.935 1.00 50.44 O ATOM 0 H ASP A 27 -14.860 -7.624 7.367 1.00 63.14 H new ATOM 0 HA ASP A 27 -14.353 -5.426 9.159 1.00 13.45 H new ATOM 0 HB2 ASP A 27 -14.608 -8.187 9.369 1.00 35.25 H new ATOM 0 HB3 ASP A 27 -12.880 -7.957 9.549 1.00 35.25 H new ATOM 414 N GLU A 28 -11.885 -6.729 7.385 1.00 13.01 N ATOM 415 CA GLU A 28 -10.534 -6.476 6.899 1.00 70.12 C ATOM 416 C GLU A 28 -10.490 -5.210 6.048 1.00 0.01 C ATOM 417 O GLU A 28 -9.631 -4.349 6.241 1.00 33.24 O ATOM 418 CB GLU A 28 -10.030 -7.669 6.084 1.00 42.01 C ATOM 419 CG GLU A 28 -8.734 -8.262 6.611 1.00 33.42 C ATOM 420 CD GLU A 28 -8.515 -9.690 6.148 1.00 13.42 C ATOM 421 OE1 GLU A 28 -9.276 -10.578 6.587 1.00 63.14 O ATOM 422 OE2 GLU A 28 -7.584 -9.918 5.348 1.00 32.22 O ATOM 0 H GLU A 28 -12.311 -7.582 7.023 1.00 13.01 H new ATOM 0 HA GLU A 28 -9.885 -6.335 7.763 1.00 70.12 H new ATOM 0 HB2 GLU A 28 -10.797 -8.443 6.076 1.00 42.01 H new ATOM 0 HB3 GLU A 28 -9.883 -7.356 5.050 1.00 42.01 H new ATOM 0 HG2 GLU A 28 -7.897 -7.645 6.283 1.00 33.42 H new ATOM 0 HG3 GLU A 28 -8.743 -8.235 7.701 1.00 33.42 H new ATOM 429 N ARG A 29 -11.421 -5.105 5.106 1.00 52.42 N ATOM 430 CA ARG A 29 -11.488 -3.945 4.224 1.00 33.51 C ATOM 431 C ARG A 29 -11.697 -2.664 5.026 1.00 42.02 C ATOM 432 O ARG A 29 -11.157 -1.611 4.685 1.00 14.23 O ATOM 433 CB ARG A 29 -12.620 -4.115 3.209 1.00 13.22 C ATOM 434 CG ARG A 29 -12.787 -2.925 2.279 1.00 40.34 C ATOM 435 CD ARG A 29 -14.243 -2.496 2.177 1.00 24.41 C ATOM 436 NE ARG A 29 -14.900 -3.065 1.003 1.00 21.15 N ATOM 437 CZ ARG A 29 -16.008 -2.565 0.467 1.00 23.43 C ATOM 438 NH1 ARG A 29 -16.579 -1.492 0.997 1.00 64.24 N ATOM 439 NH2 ARG A 29 -16.546 -3.139 -0.601 1.00 74.11 N ATOM 0 H ARG A 29 -12.139 -5.808 4.933 1.00 52.42 H new ATOM 0 HA ARG A 29 -10.540 -3.869 3.691 1.00 33.51 H new ATOM 0 HB2 ARG A 29 -12.431 -5.008 2.613 1.00 13.22 H new ATOM 0 HB3 ARG A 29 -13.555 -4.281 3.744 1.00 13.22 H new ATOM 0 HG2 ARG A 29 -12.186 -2.091 2.642 1.00 40.34 H new ATOM 0 HG3 ARG A 29 -12.412 -3.181 1.288 1.00 40.34 H new ATOM 0 HD2 ARG A 29 -14.776 -2.805 3.076 1.00 24.41 H new ATOM 0 HD3 ARG A 29 -14.298 -1.408 2.132 1.00 24.41 H new ATOM 0 HE ARG A 29 -14.486 -3.891 0.571 1.00 21.15 H new ATOM 0 HH11 ARG A 29 -16.168 -1.048 1.818 1.00 64.24 H new ATOM 0 HH12 ARG A 29 -17.430 -1.110 0.583 1.00 64.24 H new ATOM 0 HH21 ARG A 29 -16.109 -3.964 -1.011 1.00 74.11 H new ATOM 0 HH22 ARG A 29 -17.397 -2.755 -1.012 1.00 74.11 H new ATOM 453 N LYS A 30 -12.483 -2.761 6.092 1.00 13.22 N ATOM 454 CA LYS A 30 -12.764 -1.611 6.944 1.00 44.12 C ATOM 455 C LYS A 30 -11.524 -1.204 7.734 1.00 30.11 C ATOM 456 O LYS A 30 -11.288 -0.020 7.973 1.00 51.52 O ATOM 457 CB LYS A 30 -13.912 -1.929 7.904 1.00 21.20 C ATOM 458 CG LYS A 30 -15.286 -1.629 7.330 1.00 3.21 C ATOM 459 CD LYS A 30 -16.393 -2.105 8.255 1.00 20.13 C ATOM 460 CE LYS A 30 -17.739 -2.131 7.547 1.00 64.32 C ATOM 461 NZ LYS A 30 -18.814 -1.522 8.377 1.00 75.11 N ATOM 0 H LYS A 30 -12.938 -3.625 6.387 1.00 13.22 H new ATOM 0 HA LYS A 30 -13.055 -0.778 6.304 1.00 44.12 H new ATOM 0 HB2 LYS A 30 -13.864 -2.983 8.178 1.00 21.20 H new ATOM 0 HB3 LYS A 30 -13.777 -1.355 8.821 1.00 21.20 H new ATOM 0 HG2 LYS A 30 -15.386 -0.556 7.164 1.00 3.21 H new ATOM 0 HG3 LYS A 30 -15.389 -2.113 6.359 1.00 3.21 H new ATOM 0 HD2 LYS A 30 -16.156 -3.103 8.624 1.00 20.13 H new ATOM 0 HD3 LYS A 30 -16.450 -1.449 9.123 1.00 20.13 H new ATOM 0 HE2 LYS A 30 -17.662 -1.594 6.601 1.00 64.32 H new ATOM 0 HE3 LYS A 30 -18.004 -3.161 7.308 1.00 64.32 H new ATOM 0 HZ1 LYS A 30 -19.715 -1.559 7.859 1.00 75.11 H new ATOM 0 HZ2 LYS A 30 -18.905 -2.049 9.269 1.00 75.11 H new ATOM 0 HZ3 LYS A 30 -18.574 -0.531 8.584 1.00 75.11 H new ATOM 475 N LYS A 31 -10.734 -2.193 8.137 1.00 64.43 N ATOM 476 CA LYS A 31 -9.516 -1.939 8.898 1.00 72.23 C ATOM 477 C LYS A 31 -8.535 -1.097 8.089 1.00 1.30 C ATOM 478 O LYS A 31 -8.016 -0.092 8.577 1.00 33.21 O ATOM 479 CB LYS A 31 -8.858 -3.260 9.302 1.00 21.32 C ATOM 480 CG LYS A 31 -7.472 -3.091 9.900 1.00 63.25 C ATOM 481 CD LYS A 31 -6.402 -3.696 9.006 1.00 42.43 C ATOM 482 CE LYS A 31 -5.951 -5.055 9.517 1.00 20.21 C ATOM 483 NZ LYS A 31 -7.104 -5.964 9.768 1.00 40.24 N ATOM 0 H LYS A 31 -10.915 -3.179 7.949 1.00 64.43 H new ATOM 0 HA LYS A 31 -9.788 -1.385 9.797 1.00 72.23 H new ATOM 0 HB2 LYS A 31 -9.497 -3.768 10.024 1.00 21.32 H new ATOM 0 HB3 LYS A 31 -8.791 -3.905 8.426 1.00 21.32 H new ATOM 0 HG2 LYS A 31 -7.266 -2.031 10.050 1.00 63.25 H new ATOM 0 HG3 LYS A 31 -7.438 -3.564 10.881 1.00 63.25 H new ATOM 0 HD2 LYS A 31 -6.789 -3.798 7.992 1.00 42.43 H new ATOM 0 HD3 LYS A 31 -5.546 -3.023 8.955 1.00 42.43 H new ATOM 0 HE2 LYS A 31 -5.280 -5.512 8.790 1.00 20.21 H new ATOM 0 HE3 LYS A 31 -5.383 -4.926 10.438 1.00 20.21 H new ATOM 0 HZ1 LYS A 31 -6.770 -6.948 9.799 1.00 40.24 H new ATOM 0 HZ2 LYS A 31 -7.547 -5.720 10.677 1.00 40.24 H new ATOM 0 HZ3 LYS A 31 -7.801 -5.859 9.004 1.00 40.24 H new ATOM 497 N ILE A 32 -8.286 -1.511 6.851 1.00 31.55 N ATOM 498 CA ILE A 32 -7.369 -0.793 5.975 1.00 13.14 C ATOM 499 C ILE A 32 -7.916 0.585 5.619 1.00 1.53 C ATOM 500 O ILE A 32 -7.177 1.570 5.593 1.00 22.31 O ATOM 501 CB ILE A 32 -7.100 -1.577 4.677 1.00 11.14 C ATOM 502 CG1 ILE A 32 -6.104 -2.709 4.937 1.00 72.11 C ATOM 503 CG2 ILE A 32 -6.580 -0.645 3.594 1.00 42.54 C ATOM 504 CD1 ILE A 32 -5.941 -3.651 3.764 1.00 3.33 C ATOM 0 H ILE A 32 -8.707 -2.340 6.432 1.00 31.55 H new ATOM 0 HA ILE A 32 -6.433 -0.680 6.522 1.00 13.14 H new ATOM 0 HB ILE A 32 -8.037 -2.015 4.333 1.00 11.14 H new ATOM 0 HG12 ILE A 32 -5.134 -2.279 5.185 1.00 72.11 H new ATOM 0 HG13 ILE A 32 -6.432 -3.278 5.807 1.00 72.11 H new ATOM 0 HG21 ILE A 32 -6.395 -1.214 2.683 1.00 42.54 H new ATOM 0 HG22 ILE A 32 -7.321 0.129 3.394 1.00 42.54 H new ATOM 0 HG23 ILE A 32 -5.652 -0.182 3.928 1.00 42.54 H new ATOM 0 HD11 ILE A 32 -5.221 -4.428 4.019 1.00 3.33 H new ATOM 0 HD12 ILE A 32 -6.902 -4.110 3.529 1.00 3.33 H new ATOM 0 HD13 ILE A 32 -5.583 -3.095 2.898 1.00 3.33 H new ATOM 516 N ARG A 33 -9.215 0.649 5.348 1.00 73.44 N ATOM 517 CA ARG A 33 -9.862 1.907 4.994 1.00 64.42 C ATOM 518 C ARG A 33 -9.960 2.827 6.207 1.00 53.12 C ATOM 519 O ARG A 33 -10.104 4.042 6.067 1.00 61.22 O ATOM 520 CB ARG A 33 -11.257 1.645 4.424 1.00 41.12 C ATOM 521 CG ARG A 33 -12.082 2.907 4.231 1.00 71.25 C ATOM 522 CD ARG A 33 -13.335 2.633 3.414 1.00 53.13 C ATOM 523 NE ARG A 33 -14.551 2.799 4.205 1.00 35.50 N ATOM 524 CZ ARG A 33 -15.754 2.411 3.794 1.00 1.52 C ATOM 525 NH1 ARG A 33 -15.900 1.839 2.607 1.00 12.22 N ATOM 526 NH2 ARG A 33 -16.813 2.596 4.572 1.00 53.14 N ATOM 0 H ARG A 33 -9.841 -0.156 5.367 1.00 73.44 H new ATOM 0 HA ARG A 33 -9.254 2.399 4.235 1.00 64.42 H new ATOM 0 HB2 ARG A 33 -11.159 1.135 3.466 1.00 41.12 H new ATOM 0 HB3 ARG A 33 -11.792 0.970 5.091 1.00 41.12 H new ATOM 0 HG2 ARG A 33 -12.362 3.313 5.203 1.00 71.25 H new ATOM 0 HG3 ARG A 33 -11.479 3.665 3.731 1.00 71.25 H new ATOM 0 HD2 ARG A 33 -13.364 3.307 2.558 1.00 53.13 H new ATOM 0 HD3 ARG A 33 -13.295 1.618 3.019 1.00 53.13 H new ATOM 0 HE ARG A 33 -14.473 3.237 5.123 1.00 35.50 H new ATOM 0 HH11 ARG A 33 -15.088 1.696 2.007 1.00 12.22 H new ATOM 0 HH12 ARG A 33 -16.824 1.542 2.294 1.00 12.22 H new ATOM 0 HH21 ARG A 33 -16.704 3.036 5.486 1.00 53.14 H new ATOM 0 HH22 ARG A 33 -17.736 2.298 4.256 1.00 53.14 H new ATOM 540 N ASP A 34 -9.883 2.240 7.396 1.00 1.20 N ATOM 541 CA ASP A 34 -9.963 3.007 8.634 1.00 40.12 C ATOM 542 C ASP A 34 -8.571 3.280 9.195 1.00 41.42 C ATOM 543 O ASP A 34 -8.427 3.770 10.316 1.00 63.02 O ATOM 544 CB ASP A 34 -10.806 2.259 9.668 1.00 5.45 C ATOM 545 CG ASP A 34 -11.160 3.125 10.861 1.00 2.24 C ATOM 546 OD1 ASP A 34 -11.740 4.212 10.655 1.00 73.20 O ATOM 547 OD2 ASP A 34 -10.857 2.716 12.002 1.00 75.04 O ATOM 0 H ASP A 34 -9.765 1.236 7.529 1.00 1.20 H new ATOM 0 HA ASP A 34 -10.439 3.962 8.411 1.00 40.12 H new ATOM 0 HB2 ASP A 34 -11.722 1.903 9.197 1.00 5.45 H new ATOM 0 HB3 ASP A 34 -10.260 1.380 10.010 1.00 5.45 H new ATOM 552 N LEU A 35 -7.549 2.960 8.409 1.00 42.10 N ATOM 553 CA LEU A 35 -6.167 3.170 8.827 1.00 11.02 C ATOM 554 C LEU A 35 -5.866 4.657 8.984 1.00 4.02 C ATOM 555 O LEU A 35 -6.565 5.517 8.449 1.00 41.24 O ATOM 556 CB LEU A 35 -5.206 2.547 7.813 1.00 52.42 C ATOM 557 CG LEU A 35 -4.935 1.051 7.975 1.00 14.34 C ATOM 558 CD1 LEU A 35 -4.135 0.522 6.796 1.00 42.55 C ATOM 559 CD2 LEU A 35 -4.205 0.781 9.282 1.00 24.45 C ATOM 0 H LEU A 35 -7.651 2.554 7.479 1.00 42.10 H new ATOM 0 HA LEU A 35 -6.028 2.686 9.794 1.00 11.02 H new ATOM 0 HB2 LEU A 35 -5.605 2.717 6.813 1.00 52.42 H new ATOM 0 HB3 LEU A 35 -4.255 3.076 7.871 1.00 52.42 H new ATOM 0 HG LEU A 35 -5.891 0.529 8.001 1.00 14.34 H new ATOM 0 HD11 LEU A 35 -3.952 -0.544 6.929 1.00 42.55 H new ATOM 0 HD12 LEU A 35 -4.696 0.681 5.875 1.00 42.55 H new ATOM 0 HD13 LEU A 35 -3.183 1.049 6.737 1.00 42.55 H new ATOM 0 HD21 LEU A 35 -4.020 -0.289 9.381 1.00 24.45 H new ATOM 0 HD22 LEU A 35 -3.255 1.315 9.285 1.00 24.45 H new ATOM 0 HD23 LEU A 35 -4.816 1.123 10.117 1.00 24.45 H new ATOM 571 N PRO A 36 -4.798 4.969 9.734 1.00 32.32 N ATOM 572 CA PRO A 36 -4.378 6.352 9.977 1.00 62.13 C ATOM 573 C PRO A 36 -3.814 7.014 8.724 1.00 2.44 C ATOM 574 O PRO A 36 -2.806 6.568 8.175 1.00 73.21 O ATOM 575 CB PRO A 36 -3.289 6.210 11.043 1.00 22.10 C ATOM 576 CG PRO A 36 -2.756 4.831 10.859 1.00 43.12 C ATOM 577 CD PRO A 36 -3.919 3.995 10.403 1.00 72.31 C ATOM 0 HA PRO A 36 -5.212 6.984 10.282 1.00 62.13 H new ATOM 0 HB2 PRO A 36 -2.507 6.958 10.912 1.00 22.10 H new ATOM 0 HB3 PRO A 36 -3.696 6.347 12.045 1.00 22.10 H new ATOM 0 HG2 PRO A 36 -1.953 4.818 10.122 1.00 43.12 H new ATOM 0 HG3 PRO A 36 -2.340 4.446 11.790 1.00 43.12 H new ATOM 0 HD2 PRO A 36 -3.603 3.205 9.722 1.00 72.31 H new ATOM 0 HD3 PRO A 36 -4.420 3.512 11.242 1.00 72.31 H new ATOM 585 N ILE A 37 -4.469 8.081 8.279 1.00 70.02 N ATOM 586 CA ILE A 37 -4.031 8.805 7.092 1.00 11.20 C ATOM 587 C ILE A 37 -2.715 9.532 7.346 1.00 11.42 C ATOM 588 O ILE A 37 -1.882 9.661 6.450 1.00 64.54 O ATOM 589 CB ILE A 37 -5.089 9.826 6.634 1.00 42.55 C ATOM 590 CG1 ILE A 37 -5.512 10.716 7.804 1.00 4.04 C ATOM 591 CG2 ILE A 37 -6.294 9.111 6.042 1.00 14.23 C ATOM 592 CD1 ILE A 37 -6.459 11.827 7.408 1.00 63.10 C ATOM 0 H ILE A 37 -5.304 8.463 8.722 1.00 70.02 H new ATOM 0 HA ILE A 37 -3.888 8.065 6.305 1.00 11.20 H new ATOM 0 HB ILE A 37 -4.651 10.458 5.862 1.00 42.55 H new ATOM 0 HG12 ILE A 37 -5.988 10.099 8.566 1.00 4.04 H new ATOM 0 HG13 ILE A 37 -4.622 11.153 8.258 1.00 4.04 H new ATOM 0 HG21 ILE A 37 -7.033 9.846 5.723 1.00 14.23 H new ATOM 0 HG22 ILE A 37 -5.979 8.517 5.184 1.00 14.23 H new ATOM 0 HG23 ILE A 37 -6.735 8.457 6.794 1.00 14.23 H new ATOM 0 HD11 ILE A 37 -6.716 12.417 8.288 1.00 63.10 H new ATOM 0 HD12 ILE A 37 -5.979 12.468 6.669 1.00 63.10 H new ATOM 0 HD13 ILE A 37 -7.366 11.398 6.982 1.00 63.10 H new ATOM 604 N SER A 38 -2.535 10.006 8.575 1.00 24.52 N ATOM 605 CA SER A 38 -1.320 10.722 8.948 1.00 73.03 C ATOM 606 C SER A 38 -0.110 9.793 8.916 1.00 13.24 C ATOM 607 O SER A 38 1.030 10.244 8.797 1.00 30.45 O ATOM 608 CB SER A 38 -1.472 11.334 10.342 1.00 45.34 C ATOM 609 OG SER A 38 -1.770 12.717 10.261 1.00 14.24 O ATOM 0 H SER A 38 -3.215 9.907 9.329 1.00 24.52 H new ATOM 0 HA SER A 38 -1.161 11.521 8.224 1.00 73.03 H new ATOM 0 HB2 SER A 38 -2.265 10.819 10.884 1.00 45.34 H new ATOM 0 HB3 SER A 38 -0.552 11.189 10.909 1.00 45.34 H new ATOM 0 HG SER A 38 -1.864 13.085 11.164 1.00 14.24 H new ATOM 615 N LEU A 39 -0.367 8.494 9.024 1.00 42.20 N ATOM 616 CA LEU A 39 0.700 7.500 9.008 1.00 24.21 C ATOM 617 C LEU A 39 1.279 7.345 7.605 1.00 23.45 C ATOM 618 O LEU A 39 2.452 7.009 7.440 1.00 23.23 O ATOM 619 CB LEU A 39 0.176 6.152 9.508 1.00 42.42 C ATOM 620 CG LEU A 39 1.135 5.340 10.379 1.00 2.41 C ATOM 621 CD1 LEU A 39 0.374 4.613 11.476 1.00 35.11 C ATOM 622 CD2 LEU A 39 1.922 4.354 9.529 1.00 23.43 C ATOM 0 H LEU A 39 -1.305 8.105 9.124 1.00 42.20 H new ATOM 0 HA LEU A 39 1.493 7.844 9.672 1.00 24.21 H new ATOM 0 HB2 LEU A 39 -0.738 6.328 10.076 1.00 42.42 H new ATOM 0 HB3 LEU A 39 -0.097 5.548 8.643 1.00 42.42 H new ATOM 0 HG LEU A 39 1.839 6.027 10.848 1.00 2.41 H new ATOM 0 HD11 LEU A 39 1.073 4.040 12.086 1.00 35.11 H new ATOM 0 HD12 LEU A 39 -0.143 5.339 12.103 1.00 35.11 H new ATOM 0 HD13 LEU A 39 -0.354 3.937 11.027 1.00 35.11 H new ATOM 0 HD21 LEU A 39 2.599 3.785 10.165 1.00 23.43 H new ATOM 0 HD22 LEU A 39 1.233 3.672 9.031 1.00 23.43 H new ATOM 0 HD23 LEU A 39 2.498 4.898 8.781 1.00 23.43 H new ATOM 634 N PHE A 40 0.450 7.593 6.598 1.00 54.33 N ATOM 635 CA PHE A 40 0.879 7.483 5.209 1.00 62.44 C ATOM 636 C PHE A 40 0.622 8.784 4.454 1.00 23.14 C ATOM 637 O PHE A 40 -0.524 9.198 4.281 1.00 33.25 O ATOM 638 CB PHE A 40 0.151 6.327 4.518 1.00 43.41 C ATOM 639 CG PHE A 40 -0.010 5.114 5.389 1.00 42.32 C ATOM 640 CD1 PHE A 40 -1.099 4.994 6.236 1.00 32.55 C ATOM 641 CD2 PHE A 40 0.928 4.095 5.359 1.00 34.43 C ATOM 642 CE1 PHE A 40 -1.249 3.879 7.039 1.00 33.44 C ATOM 643 CE2 PHE A 40 0.783 2.977 6.160 1.00 74.04 C ATOM 644 CZ PHE A 40 -0.308 2.869 7.000 1.00 20.40 C ATOM 0 H PHE A 40 -0.524 7.872 6.717 1.00 54.33 H new ATOM 0 HA PHE A 40 1.951 7.285 5.201 1.00 62.44 H new ATOM 0 HB2 PHE A 40 -0.834 6.668 4.198 1.00 43.41 H new ATOM 0 HB3 PHE A 40 0.700 6.048 3.618 1.00 43.41 H new ATOM 0 HD1 PHE A 40 -1.839 5.780 6.269 1.00 32.55 H new ATOM 0 HD2 PHE A 40 1.782 4.175 4.703 1.00 34.43 H new ATOM 0 HE1 PHE A 40 -2.102 3.798 7.697 1.00 33.44 H new ATOM 0 HE2 PHE A 40 1.522 2.190 6.129 1.00 74.04 H new ATOM 0 HZ PHE A 40 -0.425 1.996 7.625 1.00 20.40 H new ATOM 654 N ASP A 41 1.697 9.424 4.008 1.00 4.35 N ATOM 655 CA ASP A 41 1.590 10.679 3.272 1.00 32.53 C ATOM 656 C ASP A 41 0.610 10.545 2.111 1.00 34.40 C ATOM 657 O ASP A 41 -0.025 11.519 1.705 1.00 25.12 O ATOM 658 CB ASP A 41 2.962 11.108 2.751 1.00 60.12 C ATOM 659 CG ASP A 41 3.256 12.569 3.029 1.00 72.10 C ATOM 660 OD1 ASP A 41 2.533 13.432 2.489 1.00 1.22 O ATOM 661 OD2 ASP A 41 4.209 12.849 3.786 1.00 42.22 O ATOM 0 H ASP A 41 2.653 9.095 4.143 1.00 4.35 H new ATOM 0 HA ASP A 41 1.215 11.442 3.955 1.00 32.53 H new ATOM 0 HB2 ASP A 41 3.732 10.491 3.214 1.00 60.12 H new ATOM 0 HB3 ASP A 41 3.012 10.928 1.677 1.00 60.12 H new ATOM 666 N TYR A 42 0.492 9.333 1.580 1.00 34.21 N ATOM 667 CA TYR A 42 -0.408 9.072 0.463 1.00 54.10 C ATOM 668 C TYR A 42 -1.109 7.727 0.630 1.00 10.22 C ATOM 669 O TYR A 42 -0.461 6.692 0.785 1.00 74.42 O ATOM 670 CB TYR A 42 0.363 9.097 -0.858 1.00 2.15 C ATOM 671 CG TYR A 42 -0.499 8.817 -2.068 1.00 3.02 C ATOM 672 CD1 TYR A 42 -1.784 9.337 -2.165 1.00 44.03 C ATOM 673 CD2 TYR A 42 -0.029 8.032 -3.113 1.00 61.23 C ATOM 674 CE1 TYR A 42 -2.575 9.083 -3.269 1.00 11.32 C ATOM 675 CE2 TYR A 42 -0.813 7.774 -4.221 1.00 43.02 C ATOM 676 CZ TYR A 42 -2.085 8.302 -4.294 1.00 70.32 C ATOM 677 OH TYR A 42 -2.869 8.046 -5.396 1.00 15.14 O ATOM 0 H TYR A 42 1.008 8.516 1.905 1.00 34.21 H new ATOM 0 HA TYR A 42 -1.165 9.856 0.449 1.00 54.10 H new ATOM 0 HB2 TYR A 42 0.834 10.073 -0.976 1.00 2.15 H new ATOM 0 HB3 TYR A 42 1.165 8.360 -0.815 1.00 2.15 H new ATOM 0 HD1 TYR A 42 -2.171 9.950 -1.364 1.00 44.03 H new ATOM 0 HD2 TYR A 42 0.966 7.616 -3.059 1.00 61.23 H new ATOM 0 HE1 TYR A 42 -3.572 9.494 -3.329 1.00 11.32 H new ATOM 0 HE2 TYR A 42 -0.432 7.162 -5.025 1.00 43.02 H new ATOM 0 HH TYR A 42 -3.800 8.277 -5.196 1.00 15.14 H new ATOM 687 N PHE A 43 -2.437 7.751 0.597 1.00 13.45 N ATOM 688 CA PHE A 43 -3.228 6.535 0.746 1.00 61.05 C ATOM 689 C PHE A 43 -4.323 6.465 -0.315 1.00 45.33 C ATOM 690 O PHE A 43 -5.233 7.294 -0.338 1.00 33.34 O ATOM 691 CB PHE A 43 -3.850 6.473 2.142 1.00 75.12 C ATOM 692 CG PHE A 43 -3.909 5.084 2.711 1.00 4.10 C ATOM 693 CD1 PHE A 43 -3.914 3.979 1.876 1.00 24.50 C ATOM 694 CD2 PHE A 43 -3.959 4.884 4.081 1.00 3.43 C ATOM 695 CE1 PHE A 43 -3.967 2.699 2.397 1.00 44.25 C ATOM 696 CE2 PHE A 43 -4.011 3.608 4.608 1.00 74.55 C ATOM 697 CZ PHE A 43 -4.017 2.514 3.764 1.00 24.42 C ATOM 0 H PHE A 43 -2.988 8.599 0.468 1.00 13.45 H new ATOM 0 HA PHE A 43 -2.564 5.681 0.614 1.00 61.05 H new ATOM 0 HB2 PHE A 43 -3.275 7.109 2.816 1.00 75.12 H new ATOM 0 HB3 PHE A 43 -4.859 6.883 2.100 1.00 75.12 H new ATOM 0 HD1 PHE A 43 -3.876 4.119 0.806 1.00 24.50 H new ATOM 0 HD2 PHE A 43 -3.957 5.736 4.745 1.00 3.43 H new ATOM 0 HE1 PHE A 43 -3.969 1.845 1.735 1.00 44.25 H new ATOM 0 HE2 PHE A 43 -4.047 3.466 5.678 1.00 74.55 H new ATOM 0 HZ PHE A 43 -4.061 1.516 4.173 1.00 24.42 H new ATOM 707 N ILE A 44 -4.226 5.472 -1.192 1.00 44.04 N ATOM 708 CA ILE A 44 -5.207 5.294 -2.255 1.00 60.42 C ATOM 709 C ILE A 44 -5.588 3.825 -2.411 1.00 44.22 C ATOM 710 O ILE A 44 -4.747 2.986 -2.734 1.00 21.44 O ATOM 711 CB ILE A 44 -4.680 5.822 -3.603 1.00 21.44 C ATOM 712 CG1 ILE A 44 -5.566 5.331 -4.749 1.00 53.23 C ATOM 713 CG2 ILE A 44 -3.239 5.384 -3.816 1.00 25.13 C ATOM 714 CD1 ILE A 44 -5.771 6.362 -5.838 1.00 33.53 C ATOM 0 H ILE A 44 -3.478 4.778 -1.187 1.00 44.04 H new ATOM 0 HA ILE A 44 -6.089 5.868 -1.970 1.00 60.42 H new ATOM 0 HB ILE A 44 -4.710 6.911 -3.587 1.00 21.44 H new ATOM 0 HG12 ILE A 44 -5.120 4.437 -5.185 1.00 53.23 H new ATOM 0 HG13 ILE A 44 -6.537 5.040 -4.348 1.00 53.23 H new ATOM 0 HG21 ILE A 44 -2.881 5.765 -4.772 1.00 25.13 H new ATOM 0 HG22 ILE A 44 -2.616 5.778 -3.013 1.00 25.13 H new ATOM 0 HG23 ILE A 44 -3.186 4.295 -3.816 1.00 25.13 H new ATOM 0 HD11 ILE A 44 -6.409 5.946 -6.618 1.00 33.53 H new ATOM 0 HD12 ILE A 44 -6.245 7.248 -5.416 1.00 33.53 H new ATOM 0 HD13 ILE A 44 -4.807 6.636 -6.266 1.00 33.53 H new ATOM 726 N VAL A 45 -6.861 3.522 -2.182 1.00 14.11 N ATOM 727 CA VAL A 45 -7.355 2.155 -2.300 1.00 12.33 C ATOM 728 C VAL A 45 -8.472 2.062 -3.333 1.00 34.23 C ATOM 729 O VAL A 45 -9.359 2.913 -3.382 1.00 75.20 O ATOM 730 CB VAL A 45 -7.874 1.628 -0.949 1.00 33.30 C ATOM 731 CG1 VAL A 45 -7.923 0.107 -0.953 1.00 13.44 C ATOM 732 CG2 VAL A 45 -7.007 2.139 0.191 1.00 25.32 C ATOM 0 H VAL A 45 -7.570 4.205 -1.914 1.00 14.11 H new ATOM 0 HA VAL A 45 -6.514 1.541 -2.622 1.00 12.33 H new ATOM 0 HB VAL A 45 -8.887 2.000 -0.798 1.00 33.30 H new ATOM 0 HG11 VAL A 45 -8.292 -0.248 0.009 1.00 13.44 H new ATOM 0 HG12 VAL A 45 -8.590 -0.233 -1.745 1.00 13.44 H new ATOM 0 HG13 VAL A 45 -6.922 -0.289 -1.126 1.00 13.44 H new ATOM 0 HG21 VAL A 45 -7.388 1.757 1.138 1.00 25.32 H new ATOM 0 HG22 VAL A 45 -5.981 1.798 0.049 1.00 25.32 H new ATOM 0 HG23 VAL A 45 -7.029 3.229 0.205 1.00 25.32 H new ATOM 742 N GLY A 46 -8.423 1.020 -4.158 1.00 21.04 N ATOM 743 CA GLY A 46 -9.437 0.834 -5.179 1.00 21.41 C ATOM 744 C GLY A 46 -9.987 -0.579 -5.199 1.00 11.32 C ATOM 745 O GLY A 46 -9.228 -1.547 -5.178 1.00 72.01 O ATOM 0 H GLY A 46 -7.699 0.302 -4.137 1.00 21.04 H new ATOM 0 HA2 GLY A 46 -10.253 1.536 -5.008 1.00 21.41 H new ATOM 0 HA3 GLY A 46 -9.013 1.069 -6.155 1.00 21.41 H new ATOM 749 N GLU A 47 -11.311 -0.696 -5.237 1.00 62.03 N ATOM 750 CA GLU A 47 -11.961 -2.001 -5.257 1.00 60.11 C ATOM 751 C GLU A 47 -12.166 -2.485 -6.690 1.00 13.03 C ATOM 752 O GLU A 47 -12.618 -1.731 -7.551 1.00 61.20 O ATOM 753 CB GLU A 47 -13.306 -1.936 -4.531 1.00 74.33 C ATOM 754 CG GLU A 47 -14.134 -3.203 -4.670 1.00 13.13 C ATOM 755 CD GLU A 47 -14.946 -3.508 -3.426 1.00 12.01 C ATOM 756 OE1 GLU A 47 -14.392 -4.123 -2.491 1.00 74.43 O ATOM 757 OE2 GLU A 47 -16.136 -3.131 -3.388 1.00 12.53 O ATOM 0 H GLU A 47 -11.953 0.096 -5.255 1.00 62.03 H new ATOM 0 HA GLU A 47 -11.312 -2.710 -4.742 1.00 60.11 H new ATOM 0 HB2 GLU A 47 -13.129 -1.742 -3.473 1.00 74.33 H new ATOM 0 HB3 GLU A 47 -13.878 -1.093 -4.919 1.00 74.33 H new ATOM 0 HG2 GLU A 47 -14.806 -3.102 -5.522 1.00 13.13 H new ATOM 0 HG3 GLU A 47 -13.473 -4.043 -4.883 1.00 13.13 H new ATOM 764 N GLU A 48 -11.830 -3.747 -6.936 1.00 33.54 N ATOM 765 CA GLU A 48 -11.976 -4.331 -8.264 1.00 35.32 C ATOM 766 C GLU A 48 -13.210 -5.227 -8.332 1.00 14.42 C ATOM 767 O GLU A 48 -13.283 -6.254 -7.659 1.00 61.23 O ATOM 768 CB GLU A 48 -10.728 -5.136 -8.632 1.00 11.13 C ATOM 769 CG GLU A 48 -10.654 -5.505 -10.104 1.00 4.31 C ATOM 770 CD GLU A 48 -9.347 -6.181 -10.470 1.00 61.04 C ATOM 771 OE1 GLU A 48 -9.225 -7.401 -10.234 1.00 63.44 O ATOM 772 OE2 GLU A 48 -8.447 -5.491 -10.993 1.00 0.23 O ATOM 0 H GLU A 48 -11.455 -4.384 -6.234 1.00 33.54 H new ATOM 0 HA GLU A 48 -12.099 -3.517 -8.979 1.00 35.32 H new ATOM 0 HB2 GLU A 48 -9.842 -4.559 -8.366 1.00 11.13 H new ATOM 0 HB3 GLU A 48 -10.705 -6.048 -8.036 1.00 11.13 H new ATOM 0 HG2 GLU A 48 -11.483 -6.168 -10.351 1.00 4.31 H new ATOM 0 HG3 GLU A 48 -10.775 -4.605 -10.707 1.00 4.31 H new ATOM 779 N GLY A 49 -14.180 -4.827 -9.149 1.00 61.45 N ATOM 780 CA GLY A 49 -15.398 -5.603 -9.290 1.00 71.43 C ATOM 781 C GLY A 49 -16.125 -5.312 -10.588 1.00 44.32 C ATOM 782 O GLY A 49 -17.221 -4.755 -10.582 1.00 14.44 O ATOM 0 H GLY A 49 -14.144 -3.980 -9.715 1.00 61.45 H new ATOM 0 HA2 GLY A 49 -15.156 -6.665 -9.243 1.00 71.43 H new ATOM 0 HA3 GLY A 49 -16.060 -5.390 -8.451 1.00 71.43 H new ATOM 786 N ASN A 50 -15.511 -5.688 -11.706 1.00 2.34 N ATOM 787 CA ASN A 50 -16.106 -5.461 -13.018 1.00 4.12 C ATOM 788 C ASN A 50 -16.249 -6.772 -13.784 1.00 35.42 C ATOM 789 O ASN A 50 -16.164 -6.798 -15.011 1.00 44.20 O ATOM 790 CB ASN A 50 -15.254 -4.477 -13.823 1.00 73.44 C ATOM 791 CG ASN A 50 -16.076 -3.344 -14.406 1.00 73.15 C ATOM 792 OD1 ASN A 50 -16.003 -3.061 -15.602 1.00 41.42 O ATOM 793 ND2 ASN A 50 -16.864 -2.690 -13.562 1.00 15.44 N ATOM 0 H ASN A 50 -14.602 -6.151 -11.729 1.00 2.34 H new ATOM 0 HA ASN A 50 -17.099 -5.036 -12.871 1.00 4.12 H new ATOM 0 HB2 ASN A 50 -14.476 -4.065 -13.181 1.00 73.44 H new ATOM 0 HB3 ASN A 50 -14.752 -5.011 -14.630 1.00 73.44 H new ATOM 0 HD21 ASN A 50 -17.441 -1.918 -13.897 1.00 15.44 H new ATOM 0 HD22 ASN A 50 -16.893 -2.959 -12.579 1.00 15.44 H new ATOM 800 N GLU A 51 -16.469 -7.859 -13.050 1.00 54.02 N ATOM 801 CA GLU A 51 -16.625 -9.174 -13.661 1.00 51.22 C ATOM 802 C GLU A 51 -17.630 -10.019 -12.884 1.00 74.15 C ATOM 803 O GLU A 51 -17.381 -10.406 -11.743 1.00 44.53 O ATOM 804 CB GLU A 51 -15.277 -9.894 -13.724 1.00 23.42 C ATOM 805 CG GLU A 51 -15.268 -11.089 -14.663 1.00 32.25 C ATOM 806 CD GLU A 51 -14.676 -10.761 -16.019 1.00 50.13 C ATOM 807 OE1 GLU A 51 -13.512 -10.311 -16.065 1.00 1.24 O ATOM 808 OE2 GLU A 51 -15.376 -10.954 -17.035 1.00 50.42 O ATOM 0 H GLU A 51 -16.543 -7.855 -12.033 1.00 54.02 H new ATOM 0 HA GLU A 51 -17.001 -9.034 -14.674 1.00 51.22 H new ATOM 0 HB2 GLU A 51 -14.511 -9.187 -14.043 1.00 23.42 H new ATOM 0 HB3 GLU A 51 -15.006 -10.228 -12.722 1.00 23.42 H new ATOM 0 HG2 GLU A 51 -14.698 -11.899 -14.208 1.00 32.25 H new ATOM 0 HG3 GLU A 51 -16.288 -11.451 -14.794 1.00 32.25 H new ATOM 815 N GLU A 52 -18.768 -10.301 -13.512 1.00 63.23 N ATOM 816 CA GLU A 52 -19.811 -11.099 -12.879 1.00 72.34 C ATOM 817 C GLU A 52 -19.409 -12.570 -12.816 1.00 44.15 C ATOM 818 O GLU A 52 -18.662 -13.057 -13.664 1.00 70.22 O ATOM 819 CB GLU A 52 -21.130 -10.952 -13.642 1.00 24.40 C ATOM 820 CG GLU A 52 -21.068 -11.469 -15.070 1.00 2.43 C ATOM 821 CD GLU A 52 -21.930 -10.661 -16.020 1.00 13.20 C ATOM 822 OE1 GLU A 52 -23.091 -10.369 -15.664 1.00 74.40 O ATOM 823 OE2 GLU A 52 -21.445 -10.320 -17.119 1.00 22.32 O ATOM 0 H GLU A 52 -18.990 -9.989 -14.457 1.00 63.23 H new ATOM 0 HA GLU A 52 -19.945 -10.733 -11.861 1.00 72.34 H new ATOM 0 HB2 GLU A 52 -21.913 -11.487 -13.104 1.00 24.40 H new ATOM 0 HB3 GLU A 52 -21.416 -9.900 -13.657 1.00 24.40 H new ATOM 0 HG2 GLU A 52 -20.034 -11.448 -15.416 1.00 2.43 H new ATOM 0 HG3 GLU A 52 -21.389 -12.510 -15.090 1.00 2.43 H new ATOM 830 N GLY A 53 -19.909 -13.272 -11.804 1.00 51.20 N ATOM 831 CA GLY A 53 -19.590 -14.679 -11.648 1.00 15.12 C ATOM 832 C GLY A 53 -18.399 -14.906 -10.739 1.00 64.12 C ATOM 833 O GLY A 53 -18.237 -15.988 -10.175 1.00 60.52 O ATOM 0 H GLY A 53 -20.529 -12.891 -11.089 1.00 51.20 H new ATOM 0 HA2 GLY A 53 -20.457 -15.202 -11.244 1.00 15.12 H new ATOM 0 HA3 GLY A 53 -19.384 -15.112 -12.627 1.00 15.12 H new ATOM 837 N ARG A 54 -17.561 -13.884 -10.598 1.00 21.11 N ATOM 838 CA ARG A 54 -16.376 -13.979 -9.754 1.00 10.53 C ATOM 839 C ARG A 54 -16.474 -13.021 -8.570 1.00 34.14 C ATOM 840 O ARG A 54 -17.248 -12.063 -8.594 1.00 4.11 O ATOM 841 CB ARG A 54 -15.118 -13.672 -10.568 1.00 42.10 C ATOM 842 CG ARG A 54 -13.826 -14.035 -9.853 1.00 53.53 C ATOM 843 CD ARG A 54 -12.646 -14.057 -10.812 1.00 74.12 C ATOM 844 NE ARG A 54 -12.108 -15.403 -10.985 1.00 65.44 N ATOM 845 CZ ARG A 54 -11.284 -15.983 -10.119 1.00 13.33 C ATOM 846 NH1 ARG A 54 -10.908 -15.337 -9.024 1.00 3.23 N ATOM 847 NH2 ARG A 54 -10.836 -17.211 -10.346 1.00 55.11 N ATOM 0 H ARG A 54 -17.681 -12.981 -11.057 1.00 21.11 H new ATOM 0 HA ARG A 54 -16.314 -14.998 -9.372 1.00 10.53 H new ATOM 0 HB2 ARG A 54 -15.165 -14.214 -11.512 1.00 42.10 H new ATOM 0 HB3 ARG A 54 -15.103 -12.609 -10.811 1.00 42.10 H new ATOM 0 HG2 ARG A 54 -13.635 -13.316 -9.056 1.00 53.53 H new ATOM 0 HG3 ARG A 54 -13.932 -15.012 -9.382 1.00 53.53 H new ATOM 0 HD2 ARG A 54 -12.958 -13.664 -11.780 1.00 74.12 H new ATOM 0 HD3 ARG A 54 -11.862 -13.398 -10.438 1.00 74.12 H new ATOM 0 HE ARG A 54 -12.380 -15.927 -11.817 1.00 65.44 H new ATOM 0 HH11 ARG A 54 -11.251 -14.393 -8.845 1.00 3.23 H new ATOM 0 HH12 ARG A 54 -10.275 -15.784 -8.360 1.00 3.23 H new ATOM 0 HH21 ARG A 54 -11.124 -17.712 -11.187 1.00 55.11 H new ATOM 0 HH22 ARG A 54 -10.203 -17.654 -9.680 1.00 55.11 H new ATOM 861 N THR A 55 -15.686 -13.287 -7.533 1.00 21.22 N ATOM 862 CA THR A 55 -15.685 -12.451 -6.339 1.00 20.41 C ATOM 863 C THR A 55 -14.828 -11.207 -6.540 1.00 11.33 C ATOM 864 O THR A 55 -13.959 -11.156 -7.411 1.00 14.43 O ATOM 865 CB THR A 55 -15.167 -13.225 -5.112 1.00 22.01 C ATOM 866 OG1 THR A 55 -14.463 -14.399 -5.534 1.00 12.40 O ATOM 867 CG2 THR A 55 -16.315 -13.618 -4.195 1.00 74.34 C ATOM 0 H THR A 55 -15.040 -14.075 -7.496 1.00 21.22 H new ATOM 0 HA THR A 55 -16.718 -12.152 -6.161 1.00 20.41 H new ATOM 0 HB THR A 55 -14.489 -12.574 -4.560 1.00 22.01 H new ATOM 0 HG1 THR A 55 -14.136 -14.884 -4.748 1.00 12.40 H new ATOM 0 HG21 THR A 55 -15.924 -14.163 -3.336 1.00 74.34 H new ATOM 0 HG22 THR A 55 -16.830 -12.721 -3.852 1.00 74.34 H new ATOM 0 HG23 THR A 55 -17.015 -14.252 -4.739 1.00 74.34 H new ATOM 875 N PRO A 56 -15.075 -10.178 -5.716 1.00 15.24 N ATOM 876 CA PRO A 56 -14.335 -8.914 -5.783 1.00 35.11 C ATOM 877 C PRO A 56 -12.890 -9.064 -5.321 1.00 41.43 C ATOM 878 O PRO A 56 -12.526 -10.064 -4.702 1.00 3.55 O ATOM 879 CB PRO A 56 -15.109 -7.999 -4.830 1.00 50.15 C ATOM 880 CG PRO A 56 -15.775 -8.925 -3.872 1.00 70.35 C ATOM 881 CD PRO A 56 -16.096 -10.169 -4.654 1.00 52.13 C ATOM 0 HA PRO A 56 -14.270 -8.533 -6.802 1.00 35.11 H new ATOM 0 HB2 PRO A 56 -14.441 -7.309 -4.314 1.00 50.15 H new ATOM 0 HB3 PRO A 56 -15.839 -7.394 -5.368 1.00 50.15 H new ATOM 0 HG2 PRO A 56 -15.121 -9.151 -3.030 1.00 70.35 H new ATOM 0 HG3 PRO A 56 -16.680 -8.477 -3.462 1.00 70.35 H new ATOM 0 HD2 PRO A 56 -16.036 -11.062 -4.031 1.00 52.13 H new ATOM 0 HD3 PRO A 56 -17.104 -10.135 -5.066 1.00 52.13 H new ATOM 889 N HIS A 57 -12.069 -8.063 -5.627 1.00 35.25 N ATOM 890 CA HIS A 57 -10.663 -8.083 -5.241 1.00 62.44 C ATOM 891 C HIS A 57 -10.206 -6.703 -4.780 1.00 1.21 C ATOM 892 O HIS A 57 -10.568 -5.687 -5.375 1.00 4.32 O ATOM 893 CB HIS A 57 -9.799 -8.555 -6.411 1.00 43.34 C ATOM 894 CG HIS A 57 -8.328 -8.443 -6.153 1.00 3.32 C ATOM 895 ND1 HIS A 57 -7.579 -7.348 -6.529 1.00 4.20 N ATOM 896 CD2 HIS A 57 -7.467 -9.296 -5.550 1.00 33.11 C ATOM 897 CE1 HIS A 57 -6.321 -7.533 -6.170 1.00 62.32 C ATOM 898 NE2 HIS A 57 -6.227 -8.708 -5.574 1.00 4.03 N ATOM 0 H HIS A 57 -12.354 -7.229 -6.141 1.00 35.25 H new ATOM 0 HA HIS A 57 -10.549 -8.779 -4.410 1.00 62.44 H new ATOM 0 HB2 HIS A 57 -10.042 -9.594 -6.636 1.00 43.34 H new ATOM 0 HB3 HIS A 57 -10.050 -7.970 -7.296 1.00 43.34 H new ATOM 0 HD1 HIS A 57 -7.940 -6.524 -7.009 1.00 4.20 H new ATOM 0 HD2 HIS A 57 -7.711 -10.260 -5.128 1.00 33.11 H new ATOM 0 HE1 HIS A 57 -5.508 -6.841 -6.336 1.00 62.32 H new ATOM 906 N LEU A 58 -9.410 -6.673 -3.716 1.00 74.24 N ATOM 907 CA LEU A 58 -8.904 -5.417 -3.174 1.00 54.02 C ATOM 908 C LEU A 58 -7.507 -5.118 -3.707 1.00 41.51 C ATOM 909 O LEU A 58 -6.643 -5.994 -3.736 1.00 52.34 O ATOM 910 CB LEU A 58 -8.879 -5.472 -1.646 1.00 22.03 C ATOM 911 CG LEU A 58 -9.545 -4.302 -0.921 1.00 33.33 C ATOM 912 CD1 LEU A 58 -9.319 -4.405 0.580 1.00 63.25 C ATOM 913 CD2 LEU A 58 -9.020 -2.977 -1.452 1.00 3.43 C ATOM 0 H LEU A 58 -9.101 -7.504 -3.212 1.00 74.24 H new ATOM 0 HA LEU A 58 -9.573 -4.617 -3.491 1.00 54.02 H new ATOM 0 HB2 LEU A 58 -9.365 -6.394 -1.328 1.00 22.03 H new ATOM 0 HB3 LEU A 58 -7.840 -5.530 -1.321 1.00 22.03 H new ATOM 0 HG LEU A 58 -10.618 -4.346 -1.110 1.00 33.33 H new ATOM 0 HD11 LEU A 58 -9.800 -3.564 1.079 1.00 63.25 H new ATOM 0 HD12 LEU A 58 -9.745 -5.338 0.949 1.00 63.25 H new ATOM 0 HD13 LEU A 58 -8.249 -4.387 0.789 1.00 63.25 H new ATOM 0 HD21 LEU A 58 -9.505 -2.156 -0.924 1.00 3.43 H new ATOM 0 HD22 LEU A 58 -7.943 -2.923 -1.295 1.00 3.43 H new ATOM 0 HD23 LEU A 58 -9.235 -2.901 -2.518 1.00 3.43 H new ATOM 925 N GLN A 59 -7.292 -3.874 -4.125 1.00 75.32 N ATOM 926 CA GLN A 59 -5.999 -3.460 -4.655 1.00 51.44 C ATOM 927 C GLN A 59 -5.775 -1.966 -4.439 1.00 74.52 C ATOM 928 O GLN A 59 -6.449 -1.134 -5.045 1.00 3.33 O ATOM 929 CB GLN A 59 -5.905 -3.791 -6.146 1.00 12.31 C ATOM 930 CG GLN A 59 -4.742 -3.109 -6.849 1.00 33.05 C ATOM 931 CD GLN A 59 -3.401 -3.468 -6.240 1.00 71.51 C ATOM 932 OE1 GLN A 59 -3.135 -3.171 -5.075 1.00 41.54 O ATOM 933 NE2 GLN A 59 -2.547 -4.113 -7.027 1.00 53.20 N ATOM 0 H GLN A 59 -7.996 -3.137 -4.107 1.00 75.32 H new ATOM 0 HA GLN A 59 -5.223 -4.007 -4.119 1.00 51.44 H new ATOM 0 HB2 GLN A 59 -5.808 -4.870 -6.265 1.00 12.31 H new ATOM 0 HB3 GLN A 59 -6.835 -3.499 -6.634 1.00 12.31 H new ATOM 0 HG2 GLN A 59 -4.745 -3.388 -7.903 1.00 33.05 H new ATOM 0 HG3 GLN A 59 -4.879 -2.029 -6.805 1.00 33.05 H new ATOM 0 HE21 GLN A 59 -2.809 -4.339 -7.987 1.00 53.20 H new ATOM 0 HE22 GLN A 59 -1.629 -4.382 -6.672 1.00 53.20 H new ATOM 942 N GLY A 60 -4.825 -1.635 -3.571 1.00 3.04 N ATOM 943 CA GLY A 60 -4.530 -0.242 -3.289 1.00 62.25 C ATOM 944 C GLY A 60 -3.067 -0.014 -2.962 1.00 15.10 C ATOM 945 O GLY A 60 -2.322 -0.964 -2.723 1.00 3.22 O ATOM 0 H GLY A 60 -4.254 -2.306 -3.058 1.00 3.04 H new ATOM 0 HA2 GLY A 60 -4.806 0.366 -4.150 1.00 62.25 H new ATOM 0 HA3 GLY A 60 -5.143 0.094 -2.452 1.00 62.25 H new ATOM 949 N PHE A 61 -2.655 1.249 -2.952 1.00 51.44 N ATOM 950 CA PHE A 61 -1.271 1.600 -2.655 1.00 32.44 C ATOM 951 C PHE A 61 -1.200 2.616 -1.518 1.00 62.24 C ATOM 952 O PHE A 61 -2.016 3.534 -1.440 1.00 63.42 O ATOM 953 CB PHE A 61 -0.586 2.163 -3.901 1.00 63.33 C ATOM 954 CG PHE A 61 0.731 2.825 -3.614 1.00 2.34 C ATOM 955 CD1 PHE A 61 1.737 2.139 -2.952 1.00 11.31 C ATOM 956 CD2 PHE A 61 0.964 4.134 -4.005 1.00 74.24 C ATOM 957 CE1 PHE A 61 2.949 2.747 -2.685 1.00 42.04 C ATOM 958 CE2 PHE A 61 2.174 4.747 -3.742 1.00 22.41 C ATOM 959 CZ PHE A 61 3.169 4.052 -3.082 1.00 34.21 C ATOM 0 H PHE A 61 -3.260 2.047 -3.146 1.00 51.44 H new ATOM 0 HA PHE A 61 -0.752 0.694 -2.343 1.00 32.44 H new ATOM 0 HB2 PHE A 61 -0.429 1.355 -4.616 1.00 63.33 H new ATOM 0 HB3 PHE A 61 -1.250 2.885 -4.376 1.00 63.33 H new ATOM 0 HD1 PHE A 61 1.572 1.118 -2.641 1.00 11.31 H new ATOM 0 HD2 PHE A 61 0.190 4.682 -4.522 1.00 74.24 H new ATOM 0 HE1 PHE A 61 3.724 2.202 -2.166 1.00 42.04 H new ATOM 0 HE2 PHE A 61 2.342 5.768 -4.052 1.00 22.41 H new ATOM 0 HZ PHE A 61 4.117 4.528 -2.877 1.00 34.21 H new ATOM 969 N ALA A 62 -0.218 2.444 -0.640 1.00 21.45 N ATOM 970 CA ALA A 62 -0.038 3.345 0.491 1.00 12.35 C ATOM 971 C ALA A 62 1.430 3.715 0.671 1.00 42.22 C ATOM 972 O ALA A 62 2.292 2.843 0.772 1.00 33.11 O ATOM 973 CB ALA A 62 -0.584 2.713 1.763 1.00 72.51 C ATOM 0 H ALA A 62 0.465 1.689 -0.690 1.00 21.45 H new ATOM 0 HA ALA A 62 -0.594 4.260 0.285 1.00 12.35 H new ATOM 0 HB1 ALA A 62 -0.442 3.398 2.599 1.00 72.51 H new ATOM 0 HB2 ALA A 62 -1.647 2.506 1.639 1.00 72.51 H new ATOM 0 HB3 ALA A 62 -0.054 1.782 1.963 1.00 72.51 H new ATOM 979 N ASN A 63 1.708 5.014 0.708 1.00 1.44 N ATOM 980 CA ASN A 63 3.074 5.499 0.874 1.00 15.42 C ATOM 981 C ASN A 63 3.396 5.724 2.348 1.00 13.14 C ATOM 982 O ASN A 63 2.820 6.600 2.995 1.00 73.35 O ATOM 983 CB ASN A 63 3.273 6.800 0.093 1.00 23.30 C ATOM 984 CG ASN A 63 4.713 7.275 0.120 1.00 1.25 C ATOM 985 OD1 ASN A 63 5.309 7.426 1.187 1.00 34.34 O ATOM 986 ND2 ASN A 63 5.279 7.515 -1.057 1.00 25.54 N ATOM 0 H ASN A 63 1.006 5.750 0.625 1.00 1.44 H new ATOM 0 HA ASN A 63 3.753 4.740 0.484 1.00 15.42 H new ATOM 0 HB2 ASN A 63 2.961 6.651 -0.941 1.00 23.30 H new ATOM 0 HB3 ASN A 63 2.630 7.574 0.512 1.00 23.30 H new ATOM 0 HD21 ASN A 63 6.245 7.838 -1.102 1.00 25.54 H new ATOM 0 HD22 ASN A 63 4.747 7.376 -1.916 1.00 25.54 H new ATOM 993 N PHE A 64 4.320 4.928 2.874 1.00 24.44 N ATOM 994 CA PHE A 64 4.720 5.039 4.272 1.00 33.25 C ATOM 995 C PHE A 64 5.514 6.320 4.511 1.00 31.41 C ATOM 996 O PHE A 64 6.498 6.590 3.823 1.00 4.43 O ATOM 997 CB PHE A 64 5.553 3.824 4.685 1.00 65.00 C ATOM 998 CG PHE A 64 4.845 2.907 5.641 1.00 2.41 C ATOM 999 CD1 PHE A 64 4.647 3.281 6.961 1.00 74.44 C ATOM 1000 CD2 PHE A 64 4.377 1.673 5.220 1.00 24.03 C ATOM 1001 CE1 PHE A 64 3.996 2.439 7.843 1.00 72.34 C ATOM 1002 CE2 PHE A 64 3.725 0.827 6.098 1.00 65.13 C ATOM 1003 CZ PHE A 64 3.534 1.211 7.410 1.00 34.13 C ATOM 0 H PHE A 64 4.806 4.198 2.353 1.00 24.44 H new ATOM 0 HA PHE A 64 3.816 5.074 4.880 1.00 33.25 H new ATOM 0 HB2 PHE A 64 5.829 3.262 3.792 1.00 65.00 H new ATOM 0 HB3 PHE A 64 6.480 4.168 5.144 1.00 65.00 H new ATOM 0 HD1 PHE A 64 5.005 4.240 7.304 1.00 74.44 H new ATOM 0 HD2 PHE A 64 4.523 1.368 4.194 1.00 24.03 H new ATOM 0 HE1 PHE A 64 3.849 2.741 8.869 1.00 72.34 H new ATOM 0 HE2 PHE A 64 3.366 -0.133 5.758 1.00 65.13 H new ATOM 0 HZ PHE A 64 3.024 0.552 8.097 1.00 34.13 H new ATOM 1013 N VAL A 65 5.078 7.105 5.491 1.00 41.21 N ATOM 1014 CA VAL A 65 5.747 8.358 5.822 1.00 65.53 C ATOM 1015 C VAL A 65 7.190 8.113 6.251 1.00 52.12 C ATOM 1016 O VAL A 65 8.032 9.008 6.175 1.00 22.23 O ATOM 1017 CB VAL A 65 5.009 9.109 6.946 1.00 63.42 C ATOM 1018 CG1 VAL A 65 5.788 10.348 7.361 1.00 74.13 C ATOM 1019 CG2 VAL A 65 3.601 9.476 6.504 1.00 12.55 C ATOM 0 H VAL A 65 4.265 6.896 6.070 1.00 41.21 H new ATOM 0 HA VAL A 65 5.738 8.970 4.920 1.00 65.53 H new ATOM 0 HB VAL A 65 4.933 8.451 7.812 1.00 63.42 H new ATOM 0 HG11 VAL A 65 5.251 10.866 8.156 1.00 74.13 H new ATOM 0 HG12 VAL A 65 6.774 10.054 7.720 1.00 74.13 H new ATOM 0 HG13 VAL A 65 5.897 11.013 6.504 1.00 74.13 H new ATOM 0 HG21 VAL A 65 3.093 10.006 7.310 1.00 12.55 H new ATOM 0 HG22 VAL A 65 3.651 10.117 5.624 1.00 12.55 H new ATOM 0 HG23 VAL A 65 3.048 8.569 6.261 1.00 12.55 H new ATOM 1029 N LYS A 66 7.469 6.895 6.701 1.00 33.44 N ATOM 1030 CA LYS A 66 8.810 6.530 7.142 1.00 71.54 C ATOM 1031 C LYS A 66 9.289 5.265 6.436 1.00 32.21 C ATOM 1032 O LYS A 66 8.607 4.734 5.559 1.00 15.31 O ATOM 1033 CB LYS A 66 8.832 6.320 8.657 1.00 1.14 C ATOM 1034 CG LYS A 66 8.981 7.609 9.447 1.00 24.13 C ATOM 1035 CD LYS A 66 7.637 8.278 9.682 1.00 24.44 C ATOM 1036 CE LYS A 66 6.868 7.602 10.807 1.00 10.44 C ATOM 1037 NZ LYS A 66 6.516 8.560 11.892 1.00 44.41 N ATOM 0 H LYS A 66 6.784 6.143 6.770 1.00 33.44 H new ATOM 0 HA LYS A 66 9.485 7.347 6.885 1.00 71.54 H new ATOM 0 HB2 LYS A 66 7.911 5.822 8.960 1.00 1.14 H new ATOM 0 HB3 LYS A 66 9.654 5.651 8.911 1.00 1.14 H new ATOM 0 HG2 LYS A 66 9.455 7.397 10.405 1.00 24.13 H new ATOM 0 HG3 LYS A 66 9.639 8.292 8.910 1.00 24.13 H new ATOM 0 HD2 LYS A 66 7.790 9.330 9.925 1.00 24.44 H new ATOM 0 HD3 LYS A 66 7.048 8.245 8.766 1.00 24.44 H new ATOM 0 HE2 LYS A 66 5.958 7.155 10.407 1.00 10.44 H new ATOM 0 HE3 LYS A 66 7.467 6.790 11.220 1.00 10.44 H new ATOM 0 HZ1 LYS A 66 5.993 8.061 12.640 1.00 44.41 H new ATOM 0 HZ2 LYS A 66 7.386 8.968 12.291 1.00 44.41 H new ATOM 0 HZ3 LYS A 66 5.923 9.321 11.504 1.00 44.41 H new ATOM 1051 N LYS A 67 10.465 4.785 6.825 1.00 2.11 N ATOM 1052 CA LYS A 67 11.035 3.581 6.232 1.00 32.24 C ATOM 1053 C LYS A 67 10.567 2.334 6.977 1.00 3.42 C ATOM 1054 O LYS A 67 10.762 2.214 8.186 1.00 14.34 O ATOM 1055 CB LYS A 67 12.563 3.654 6.248 1.00 24.20 C ATOM 1056 CG LYS A 67 13.126 4.797 5.421 1.00 61.43 C ATOM 1057 CD LYS A 67 13.901 4.285 4.218 1.00 54.45 C ATOM 1058 CE LYS A 67 14.952 5.287 3.765 1.00 23.31 C ATOM 1059 NZ LYS A 67 14.548 5.989 2.516 1.00 64.03 N ATOM 0 H LYS A 67 11.043 5.212 7.549 1.00 2.11 H new ATOM 0 HA LYS A 67 10.691 3.517 5.200 1.00 32.24 H new ATOM 0 HB2 LYS A 67 12.903 3.760 7.278 1.00 24.20 H new ATOM 0 HB3 LYS A 67 12.967 2.713 5.875 1.00 24.20 H new ATOM 0 HG2 LYS A 67 12.312 5.439 5.084 1.00 61.43 H new ATOM 0 HG3 LYS A 67 13.779 5.410 6.042 1.00 61.43 H new ATOM 0 HD2 LYS A 67 14.382 3.340 4.469 1.00 54.45 H new ATOM 0 HD3 LYS A 67 13.211 4.084 3.398 1.00 54.45 H new ATOM 0 HE2 LYS A 67 15.120 6.019 4.555 1.00 23.31 H new ATOM 0 HE3 LYS A 67 15.898 4.772 3.602 1.00 23.31 H new ATOM 0 HZ1 LYS A 67 15.222 6.755 2.315 1.00 64.03 H new ATOM 0 HZ2 LYS A 67 14.544 5.314 1.724 1.00 64.03 H new ATOM 0 HZ3 LYS A 67 13.595 6.389 2.635 1.00 64.03 H new ATOM 1073 N GLN A 68 9.952 1.410 6.247 1.00 42.03 N ATOM 1074 CA GLN A 68 9.458 0.173 6.839 1.00 23.34 C ATOM 1075 C GLN A 68 9.820 -1.029 5.972 1.00 5.44 C ATOM 1076 O GLN A 68 9.974 -0.907 4.756 1.00 33.45 O ATOM 1077 CB GLN A 68 7.942 0.242 7.027 1.00 11.34 C ATOM 1078 CG GLN A 68 7.475 1.497 7.747 1.00 50.42 C ATOM 1079 CD GLN A 68 8.097 1.648 9.121 1.00 31.11 C ATOM 1080 OE1 GLN A 68 8.562 2.727 9.490 1.00 64.32 O ATOM 1081 NE2 GLN A 68 8.108 0.564 9.888 1.00 11.01 N ATOM 0 H GLN A 68 9.784 1.494 5.245 1.00 42.03 H new ATOM 0 HA GLN A 68 9.933 0.052 7.813 1.00 23.34 H new ATOM 0 HB2 GLN A 68 7.460 0.193 6.050 1.00 11.34 H new ATOM 0 HB3 GLN A 68 7.614 -0.633 7.589 1.00 11.34 H new ATOM 0 HG2 GLN A 68 7.721 2.370 7.143 1.00 50.42 H new ATOM 0 HG3 GLN A 68 6.390 1.473 7.845 1.00 50.42 H new ATOM 0 HE21 GLN A 68 7.712 -0.310 9.542 1.00 11.01 H new ATOM 0 HE22 GLN A 68 8.513 0.605 10.823 1.00 11.01 H new ATOM 1090 N THR A 69 9.957 -2.190 6.606 1.00 52.34 N ATOM 1091 CA THR A 69 10.302 -3.413 5.893 1.00 45.01 C ATOM 1092 C THR A 69 9.053 -4.196 5.506 1.00 51.44 C ATOM 1093 O THR A 69 7.946 -3.868 5.934 1.00 71.44 O ATOM 1094 CB THR A 69 11.219 -4.317 6.740 1.00 55.35 C ATOM 1095 OG1 THR A 69 10.461 -4.947 7.778 1.00 75.20 O ATOM 1096 CG2 THR A 69 12.356 -3.513 7.351 1.00 11.15 C ATOM 0 H THR A 69 9.834 -2.308 7.612 1.00 52.34 H new ATOM 0 HA THR A 69 10.833 -3.113 4.990 1.00 45.01 H new ATOM 0 HB THR A 69 11.645 -5.080 6.088 1.00 55.35 H new ATOM 0 HG1 THR A 69 11.050 -5.521 8.311 1.00 75.20 H new ATOM 0 HG21 THR A 69 12.990 -4.172 7.944 1.00 11.15 H new ATOM 0 HG22 THR A 69 12.948 -3.058 6.557 1.00 11.15 H new ATOM 0 HG23 THR A 69 11.946 -2.731 7.991 1.00 11.15 H new ATOM 1104 N PHE A 70 9.237 -5.231 4.694 1.00 61.42 N ATOM 1105 CA PHE A 70 8.124 -6.061 4.248 1.00 34.15 C ATOM 1106 C PHE A 70 7.437 -6.733 5.434 1.00 4.44 C ATOM 1107 O PHE A 70 6.229 -6.601 5.622 1.00 53.04 O ATOM 1108 CB PHE A 70 8.614 -7.122 3.261 1.00 54.03 C ATOM 1109 CG PHE A 70 7.692 -8.302 3.142 1.00 20.15 C ATOM 1110 CD1 PHE A 70 6.522 -8.213 2.405 1.00 22.34 C ATOM 1111 CD2 PHE A 70 7.995 -9.500 3.769 1.00 64.20 C ATOM 1112 CE1 PHE A 70 5.672 -9.298 2.294 1.00 1.53 C ATOM 1113 CE2 PHE A 70 7.149 -10.588 3.661 1.00 5.21 C ATOM 1114 CZ PHE A 70 5.986 -10.486 2.924 1.00 52.01 C ATOM 0 H PHE A 70 10.147 -5.515 4.331 1.00 61.42 H new ATOM 0 HA PHE A 70 7.401 -5.416 3.748 1.00 34.15 H new ATOM 0 HB2 PHE A 70 8.735 -6.665 2.279 1.00 54.03 H new ATOM 0 HB3 PHE A 70 9.598 -7.470 3.574 1.00 54.03 H new ATOM 0 HD1 PHE A 70 6.271 -7.286 1.912 1.00 22.34 H new ATOM 0 HD2 PHE A 70 8.902 -9.585 4.349 1.00 64.20 H new ATOM 0 HE1 PHE A 70 4.764 -9.216 1.715 1.00 1.53 H new ATOM 0 HE2 PHE A 70 7.398 -11.517 4.153 1.00 5.21 H new ATOM 0 HZ PHE A 70 5.323 -11.334 2.840 1.00 52.01 H new ATOM 1124 N ASN A 71 8.219 -7.453 6.232 1.00 32.41 N ATOM 1125 CA ASN A 71 7.687 -8.147 7.400 1.00 62.03 C ATOM 1126 C ASN A 71 7.080 -7.158 8.390 1.00 21.22 C ATOM 1127 O ASN A 71 6.029 -7.416 8.977 1.00 22.25 O ATOM 1128 CB ASN A 71 8.790 -8.958 8.083 1.00 71.42 C ATOM 1129 CG ASN A 71 8.434 -10.427 8.208 1.00 71.21 C ATOM 1130 OD1 ASN A 71 7.862 -10.856 9.211 1.00 44.54 O ATOM 1131 ND2 ASN A 71 8.771 -11.207 7.187 1.00 5.32 N ATOM 0 H ASN A 71 9.222 -7.571 6.092 1.00 32.41 H new ATOM 0 HA ASN A 71 6.902 -8.825 7.063 1.00 62.03 H new ATOM 0 HB2 ASN A 71 9.715 -8.858 7.515 1.00 71.42 H new ATOM 0 HB3 ASN A 71 8.978 -8.547 9.075 1.00 71.42 H new ATOM 0 HD21 ASN A 71 8.557 -12.204 7.214 1.00 5.32 H new ATOM 0 HD22 ASN A 71 9.244 -10.809 6.376 1.00 5.32 H new ATOM 1138 N LYS A 72 7.749 -6.024 8.571 1.00 72.32 N ATOM 1139 CA LYS A 72 7.276 -4.994 9.488 1.00 31.43 C ATOM 1140 C LYS A 72 5.953 -4.405 9.010 1.00 72.23 C ATOM 1141 O LYS A 72 4.994 -4.304 9.775 1.00 11.20 O ATOM 1142 CB LYS A 72 8.321 -3.885 9.624 1.00 10.34 C ATOM 1143 CG LYS A 72 7.817 -2.664 10.374 1.00 4.43 C ATOM 1144 CD LYS A 72 7.285 -3.034 11.748 1.00 12.45 C ATOM 1145 CE LYS A 72 6.791 -1.809 12.503 1.00 54.20 C ATOM 1146 NZ LYS A 72 7.851 -1.228 13.373 1.00 53.03 N ATOM 0 H LYS A 72 8.621 -5.795 8.094 1.00 72.32 H new ATOM 0 HA LYS A 72 7.116 -5.456 10.462 1.00 31.43 H new ATOM 0 HB2 LYS A 72 9.195 -4.282 10.139 1.00 10.34 H new ATOM 0 HB3 LYS A 72 8.648 -3.581 8.630 1.00 10.34 H new ATOM 0 HG2 LYS A 72 8.626 -1.941 10.479 1.00 4.43 H new ATOM 0 HG3 LYS A 72 7.030 -2.180 9.796 1.00 4.43 H new ATOM 0 HD2 LYS A 72 6.471 -3.751 11.643 1.00 12.45 H new ATOM 0 HD3 LYS A 72 8.070 -3.525 12.323 1.00 12.45 H new ATOM 0 HE2 LYS A 72 6.452 -1.056 11.791 1.00 54.20 H new ATOM 0 HE3 LYS A 72 5.930 -2.081 13.113 1.00 54.20 H new ATOM 0 HZ1 LYS A 72 7.475 -0.396 13.870 1.00 53.03 H new ATOM 0 HZ2 LYS A 72 8.157 -1.938 14.069 1.00 53.03 H new ATOM 0 HZ3 LYS A 72 8.663 -0.944 12.788 1.00 53.03 H new ATOM 1160 N VAL A 73 5.907 -4.019 7.738 1.00 24.25 N ATOM 1161 CA VAL A 73 4.701 -3.443 7.157 1.00 0.42 C ATOM 1162 C VAL A 73 3.500 -4.359 7.363 1.00 11.42 C ATOM 1163 O VAL A 73 2.355 -3.905 7.386 1.00 65.10 O ATOM 1164 CB VAL A 73 4.876 -3.175 5.651 1.00 64.35 C ATOM 1165 CG1 VAL A 73 3.534 -2.873 5.002 1.00 62.22 C ATOM 1166 CG2 VAL A 73 5.857 -2.035 5.423 1.00 53.42 C ATOM 0 H VAL A 73 6.692 -4.095 7.091 1.00 24.25 H new ATOM 0 HA VAL A 73 4.524 -2.497 7.668 1.00 0.42 H new ATOM 0 HB VAL A 73 5.283 -4.072 5.185 1.00 64.35 H new ATOM 0 HG11 VAL A 73 3.678 -2.686 3.938 1.00 62.22 H new ATOM 0 HG12 VAL A 73 2.866 -3.724 5.134 1.00 62.22 H new ATOM 0 HG13 VAL A 73 3.094 -1.991 5.469 1.00 62.22 H new ATOM 0 HG21 VAL A 73 5.968 -1.859 4.353 1.00 53.42 H new ATOM 0 HG22 VAL A 73 5.482 -1.131 5.902 1.00 53.42 H new ATOM 0 HG23 VAL A 73 6.825 -2.297 5.850 1.00 53.42 H new ATOM 1176 N LYS A 74 3.768 -5.651 7.514 1.00 74.44 N ATOM 1177 CA LYS A 74 2.710 -6.633 7.720 1.00 72.40 C ATOM 1178 C LYS A 74 1.984 -6.383 9.038 1.00 5.12 C ATOM 1179 O LYS A 74 0.924 -6.954 9.292 1.00 71.11 O ATOM 1180 CB LYS A 74 3.290 -8.049 7.706 1.00 62.30 C ATOM 1181 CG LYS A 74 4.028 -8.391 6.423 1.00 23.53 C ATOM 1182 CD LYS A 74 3.741 -9.815 5.978 1.00 70.45 C ATOM 1183 CE LYS A 74 2.802 -9.846 4.781 1.00 65.11 C ATOM 1184 NZ LYS A 74 2.621 -11.227 4.254 1.00 14.00 N ATOM 0 H LYS A 74 4.710 -6.043 7.498 1.00 74.44 H new ATOM 0 HA LYS A 74 1.993 -6.533 6.906 1.00 72.40 H new ATOM 0 HB2 LYS A 74 3.972 -8.162 8.549 1.00 62.30 H new ATOM 0 HB3 LYS A 74 2.482 -8.765 7.852 1.00 62.30 H new ATOM 0 HG2 LYS A 74 3.733 -7.697 5.636 1.00 23.53 H new ATOM 0 HG3 LYS A 74 5.100 -8.265 6.574 1.00 23.53 H new ATOM 0 HD2 LYS A 74 4.676 -10.313 5.721 1.00 70.45 H new ATOM 0 HD3 LYS A 74 3.299 -10.373 6.803 1.00 70.45 H new ATOM 0 HE2 LYS A 74 1.833 -9.437 5.069 1.00 65.11 H new ATOM 0 HE3 LYS A 74 3.197 -9.205 3.993 1.00 65.11 H new ATOM 0 HZ1 LYS A 74 1.975 -11.206 3.439 1.00 14.00 H new ATOM 0 HZ2 LYS A 74 3.542 -11.608 3.956 1.00 14.00 H new ATOM 0 HZ3 LYS A 74 2.220 -11.833 4.998 1.00 14.00 H new ATOM 1198 N TRP A 75 2.562 -5.526 9.872 1.00 10.31 N ATOM 1199 CA TRP A 75 1.969 -5.199 11.164 1.00 51.01 C ATOM 1200 C TRP A 75 0.698 -4.375 10.987 1.00 45.22 C ATOM 1201 O TRP A 75 -0.139 -4.306 11.887 1.00 62.20 O ATOM 1202 CB TRP A 75 2.971 -4.434 12.030 1.00 63.04 C ATOM 1203 CG TRP A 75 3.075 -2.981 11.675 1.00 23.42 C ATOM 1204 CD1 TRP A 75 3.085 -2.443 10.420 1.00 1.33 C ATOM 1205 CD2 TRP A 75 3.186 -1.883 12.587 1.00 40.24 C ATOM 1206 NE1 TRP A 75 3.195 -1.075 10.497 1.00 64.23 N ATOM 1207 CE2 TRP A 75 3.258 -0.707 11.815 1.00 40.25 C ATOM 1208 CE3 TRP A 75 3.229 -1.778 13.979 1.00 2.33 C ATOM 1209 CZ2 TRP A 75 3.372 0.556 12.391 1.00 60.44 C ATOM 1210 CZ3 TRP A 75 3.343 -0.524 14.550 1.00 73.15 C ATOM 1211 CH2 TRP A 75 3.412 0.629 13.756 1.00 3.05 C ATOM 0 H TRP A 75 3.440 -5.045 9.677 1.00 10.31 H new ATOM 0 HA TRP A 75 1.708 -6.133 11.662 1.00 51.01 H new ATOM 0 HB2 TRP A 75 2.680 -4.525 13.076 1.00 63.04 H new ATOM 0 HB3 TRP A 75 3.953 -4.896 11.931 1.00 63.04 H new ATOM 0 HD1 TRP A 75 3.017 -3.009 9.503 1.00 1.33 H new ATOM 0 HE1 TRP A 75 3.225 -0.437 9.702 1.00 64.23 H new ATOM 0 HE3 TRP A 75 3.174 -2.661 14.599 1.00 2.33 H new ATOM 0 HZ2 TRP A 75 3.427 1.446 11.781 1.00 60.44 H new ATOM 0 HZ3 TRP A 75 3.379 -0.431 15.625 1.00 73.15 H new ATOM 0 HH2 TRP A 75 3.499 1.595 14.232 1.00 3.05 H new ATOM 1222 N TYR A 76 0.561 -3.751 9.822 1.00 32.11 N ATOM 1223 CA TYR A 76 -0.607 -2.929 9.529 1.00 75.55 C ATOM 1224 C TYR A 76 -1.448 -3.554 8.419 1.00 32.44 C ATOM 1225 O TYR A 76 -2.661 -3.717 8.560 1.00 52.53 O ATOM 1226 CB TYR A 76 -0.176 -1.519 9.124 1.00 52.14 C ATOM 1227 CG TYR A 76 -0.356 -0.493 10.219 1.00 2.24 C ATOM 1228 CD1 TYR A 76 -1.490 -0.495 11.021 1.00 14.23 C ATOM 1229 CD2 TYR A 76 0.610 0.478 10.454 1.00 50.55 C ATOM 1230 CE1 TYR A 76 -1.659 0.441 12.023 1.00 2.30 C ATOM 1231 CE2 TYR A 76 0.451 1.418 11.454 1.00 34.31 C ATOM 1232 CZ TYR A 76 -0.686 1.395 12.236 1.00 44.33 C ATOM 1233 OH TYR A 76 -0.849 2.329 13.234 1.00 60.35 O ATOM 0 H TYR A 76 1.244 -3.799 9.066 1.00 32.11 H new ATOM 0 HA TYR A 76 -1.214 -2.871 10.432 1.00 75.55 H new ATOM 0 HB2 TYR A 76 0.872 -1.540 8.826 1.00 52.14 H new ATOM 0 HB3 TYR A 76 -0.749 -1.210 8.250 1.00 52.14 H new ATOM 0 HD1 TYR A 76 -2.253 -1.242 10.858 1.00 14.23 H new ATOM 0 HD2 TYR A 76 1.501 0.498 9.844 1.00 50.55 H new ATOM 0 HE1 TYR A 76 -2.548 0.426 12.636 1.00 2.30 H new ATOM 0 HE2 TYR A 76 1.212 2.166 11.623 1.00 34.31 H new ATOM 0 HH TYR A 76 0.029 2.595 13.580 1.00 60.35 H new ATOM 1243 N LEU A 77 -0.795 -3.904 7.317 1.00 71.21 N ATOM 1244 CA LEU A 77 -1.481 -4.513 6.182 1.00 44.20 C ATOM 1245 C LEU A 77 -1.858 -5.959 6.486 1.00 72.14 C ATOM 1246 O LEU A 77 -2.632 -6.576 5.754 1.00 25.14 O ATOM 1247 CB LEU A 77 -0.595 -4.456 4.936 1.00 54.42 C ATOM 1248 CG LEU A 77 -0.352 -3.065 4.348 1.00 13.14 C ATOM 1249 CD1 LEU A 77 0.756 -3.111 3.308 1.00 24.14 C ATOM 1250 CD2 LEU A 77 -1.633 -2.511 3.741 1.00 30.21 C ATOM 0 H LEU A 77 0.208 -3.777 7.185 1.00 71.21 H new ATOM 0 HA LEU A 77 -2.396 -3.950 5.996 1.00 44.20 H new ATOM 0 HB2 LEU A 77 0.370 -4.899 5.181 1.00 54.42 H new ATOM 0 HB3 LEU A 77 -1.046 -5.081 4.165 1.00 54.42 H new ATOM 0 HG LEU A 77 -0.039 -2.401 5.154 1.00 13.14 H new ATOM 0 HD11 LEU A 77 0.915 -2.112 2.901 1.00 24.14 H new ATOM 0 HD12 LEU A 77 1.677 -3.464 3.773 1.00 24.14 H new ATOM 0 HD13 LEU A 77 0.472 -3.790 2.504 1.00 24.14 H new ATOM 0 HD21 LEU A 77 -1.441 -1.521 3.328 1.00 30.21 H new ATOM 0 HD22 LEU A 77 -1.977 -3.175 2.948 1.00 30.21 H new ATOM 0 HD23 LEU A 77 -2.400 -2.440 4.512 1.00 30.21 H new ATOM 1262 N GLY A 78 -1.308 -6.494 7.572 1.00 42.35 N ATOM 1263 CA GLY A 78 -1.600 -7.863 7.954 1.00 14.32 C ATOM 1264 C GLY A 78 -1.038 -8.872 6.973 1.00 51.22 C ATOM 1265 O GLY A 78 -0.820 -8.556 5.804 1.00 53.34 O ATOM 0 H GLY A 78 -0.665 -6.003 8.194 1.00 42.35 H new ATOM 0 HA2 GLY A 78 -1.188 -8.056 8.945 1.00 14.32 H new ATOM 0 HA3 GLY A 78 -2.680 -7.994 8.027 1.00 14.32 H new ATOM 1269 N ALA A 79 -0.801 -10.090 7.449 1.00 2.53 N ATOM 1270 CA ALA A 79 -0.261 -11.148 6.605 1.00 25.25 C ATOM 1271 C ALA A 79 -1.329 -11.704 5.671 1.00 73.51 C ATOM 1272 O ALA A 79 -1.023 -12.196 4.585 1.00 64.04 O ATOM 1273 CB ALA A 79 0.324 -12.260 7.463 1.00 31.55 C ATOM 0 H ALA A 79 -0.975 -10.368 8.415 1.00 2.53 H new ATOM 0 HA ALA A 79 0.533 -10.721 5.992 1.00 25.25 H new ATOM 0 HB1 ALA A 79 0.724 -13.044 6.820 1.00 31.55 H new ATOM 0 HB2 ALA A 79 1.124 -11.857 8.085 1.00 31.55 H new ATOM 0 HB3 ALA A 79 -0.456 -12.676 8.100 1.00 31.55 H new ATOM 1279 N ARG A 80 -2.584 -11.624 6.101 1.00 74.45 N ATOM 1280 CA ARG A 80 -3.698 -12.122 5.302 1.00 14.14 C ATOM 1281 C ARG A 80 -3.674 -11.521 3.900 1.00 4.01 C ATOM 1282 O ARG A 80 -3.926 -12.213 2.913 1.00 63.01 O ATOM 1283 CB ARG A 80 -5.028 -11.796 5.985 1.00 32.10 C ATOM 1284 CG ARG A 80 -5.142 -12.353 7.395 1.00 63.13 C ATOM 1285 CD ARG A 80 -6.590 -12.624 7.772 1.00 62.34 C ATOM 1286 NE ARG A 80 -7.052 -13.917 7.274 1.00 70.04 N ATOM 1287 CZ ARG A 80 -8.262 -14.408 7.516 1.00 13.12 C ATOM 1288 NH1 ARG A 80 -9.128 -13.717 8.246 1.00 65.13 N ATOM 1289 NH2 ARG A 80 -8.609 -15.592 7.028 1.00 14.02 N ATOM 0 H ARG A 80 -2.855 -11.220 6.997 1.00 74.45 H new ATOM 0 HA ARG A 80 -3.596 -13.204 5.216 1.00 14.14 H new ATOM 0 HB2 ARG A 80 -5.153 -10.714 6.020 1.00 32.10 H new ATOM 0 HB3 ARG A 80 -5.844 -12.192 5.380 1.00 32.10 H new ATOM 0 HG2 ARG A 80 -4.567 -13.276 7.470 1.00 63.13 H new ATOM 0 HG3 ARG A 80 -4.707 -11.647 8.102 1.00 63.13 H new ATOM 0 HD2 ARG A 80 -6.694 -12.595 8.857 1.00 62.34 H new ATOM 0 HD3 ARG A 80 -7.223 -11.833 7.370 1.00 62.34 H new ATOM 0 HE ARG A 80 -6.410 -14.473 6.709 1.00 70.04 H new ATOM 0 HH11 ARG A 80 -8.865 -12.806 8.623 1.00 65.13 H new ATOM 0 HH12 ARG A 80 -10.057 -14.096 8.430 1.00 65.13 H new ATOM 0 HH21 ARG A 80 -7.946 -16.126 6.466 1.00 14.02 H new ATOM 0 HH22 ARG A 80 -9.539 -15.968 7.215 1.00 14.02 H new ATOM 1303 N CYS A 81 -3.369 -10.231 3.821 1.00 51.55 N ATOM 1304 CA CYS A 81 -3.313 -9.536 2.539 1.00 3.22 C ATOM 1305 C CYS A 81 -1.892 -9.533 1.984 1.00 31.41 C ATOM 1306 O CYS A 81 -0.938 -9.213 2.693 1.00 24.53 O ATOM 1307 CB CYS A 81 -3.816 -8.100 2.692 1.00 52.35 C ATOM 1308 SG CYS A 81 -5.352 -7.952 3.634 1.00 74.15 S ATOM 0 H CYS A 81 -3.157 -9.645 4.628 1.00 51.55 H new ATOM 0 HA CYS A 81 -3.957 -10.066 1.837 1.00 3.22 H new ATOM 0 HB2 CYS A 81 -3.044 -7.506 3.181 1.00 52.35 H new ATOM 0 HB3 CYS A 81 -3.967 -7.672 1.701 1.00 52.35 H new ATOM 0 HG CYS A 81 -5.695 -6.700 3.711 1.00 74.15 H new ATOM 1314 N HIS A 82 -1.759 -9.894 0.712 1.00 41.14 N ATOM 1315 CA HIS A 82 -0.454 -9.934 0.061 1.00 31.50 C ATOM 1316 C HIS A 82 0.060 -8.524 -0.213 1.00 25.51 C ATOM 1317 O HIS A 82 -0.626 -7.713 -0.834 1.00 53.21 O ATOM 1318 CB HIS A 82 -0.537 -10.723 -1.246 1.00 42.35 C ATOM 1319 CG HIS A 82 0.795 -11.184 -1.753 1.00 40.01 C ATOM 1320 ND1 HIS A 82 1.339 -12.409 -1.431 1.00 63.44 N ATOM 1321 CD2 HIS A 82 1.692 -10.577 -2.565 1.00 2.23 C ATOM 1322 CE1 HIS A 82 2.514 -12.535 -2.022 1.00 24.33 C ATOM 1323 NE2 HIS A 82 2.752 -11.437 -2.716 1.00 32.00 N ATOM 0 H HIS A 82 -2.538 -10.163 0.111 1.00 41.14 H new ATOM 0 HA HIS A 82 0.245 -10.432 0.733 1.00 31.50 H new ATOM 0 HB2 HIS A 82 -1.180 -11.591 -1.097 1.00 42.35 H new ATOM 0 HB3 HIS A 82 -1.011 -10.102 -2.006 1.00 42.35 H new ATOM 0 HD2 HIS A 82 1.593 -9.598 -3.011 1.00 2.23 H new ATOM 0 HE1 HIS A 82 3.169 -13.391 -1.950 1.00 24.33 H new ATOM 0 HE2 HIS A 82 3.587 -11.257 -3.273 1.00 32.00 H new ATOM 1331 N ILE A 83 1.271 -8.240 0.255 1.00 62.51 N ATOM 1332 CA ILE A 83 1.877 -6.929 0.060 1.00 72.13 C ATOM 1333 C ILE A 83 3.118 -7.022 -0.821 1.00 71.33 C ATOM 1334 O ILE A 83 3.838 -8.019 -0.791 1.00 63.33 O ATOM 1335 CB ILE A 83 2.262 -6.281 1.403 1.00 71.31 C ATOM 1336 CG1 ILE A 83 3.315 -7.129 2.120 1.00 71.15 C ATOM 1337 CG2 ILE A 83 1.030 -6.105 2.278 1.00 22.24 C ATOM 1338 CD1 ILE A 83 3.865 -6.479 3.370 1.00 60.42 C ATOM 0 H ILE A 83 1.852 -8.900 0.772 1.00 62.51 H new ATOM 0 HA ILE A 83 1.130 -6.307 -0.433 1.00 72.13 H new ATOM 0 HB ILE A 83 2.688 -5.297 1.206 1.00 71.31 H new ATOM 0 HG12 ILE A 83 2.877 -8.092 2.383 1.00 71.15 H new ATOM 0 HG13 ILE A 83 4.137 -7.330 1.433 1.00 71.15 H new ATOM 0 HG21 ILE A 83 1.318 -5.646 3.224 1.00 22.24 H new ATOM 0 HG22 ILE A 83 0.310 -5.465 1.768 1.00 22.24 H new ATOM 0 HG23 ILE A 83 0.578 -7.078 2.470 1.00 22.24 H new ATOM 0 HD11 ILE A 83 4.606 -7.136 3.826 1.00 60.42 H new ATOM 0 HD12 ILE A 83 4.333 -5.529 3.111 1.00 60.42 H new ATOM 0 HD13 ILE A 83 3.053 -6.303 4.076 1.00 60.42 H new ATOM 1350 N GLU A 84 3.362 -5.975 -1.604 1.00 33.44 N ATOM 1351 CA GLU A 84 4.517 -5.939 -2.492 1.00 61.55 C ATOM 1352 C GLU A 84 5.014 -4.509 -2.681 1.00 60.13 C ATOM 1353 O GLU A 84 4.311 -3.548 -2.367 1.00 21.54 O ATOM 1354 CB GLU A 84 4.164 -6.552 -3.850 1.00 14.44 C ATOM 1355 CG GLU A 84 4.194 -8.071 -3.859 1.00 5.33 C ATOM 1356 CD GLU A 84 5.559 -8.629 -3.502 1.00 53.43 C ATOM 1357 OE1 GLU A 84 6.564 -8.137 -4.055 1.00 44.22 O ATOM 1358 OE2 GLU A 84 5.620 -9.558 -2.670 1.00 11.53 O ATOM 0 H GLU A 84 2.775 -5.142 -1.641 1.00 33.44 H new ATOM 0 HA GLU A 84 5.314 -6.524 -2.033 1.00 61.55 H new ATOM 0 HB2 GLU A 84 3.170 -6.215 -4.144 1.00 14.44 H new ATOM 0 HB3 GLU A 84 4.862 -6.179 -4.600 1.00 14.44 H new ATOM 0 HG2 GLU A 84 3.455 -8.450 -3.153 1.00 5.33 H new ATOM 0 HG3 GLU A 84 3.905 -8.431 -4.847 1.00 5.33 H new ATOM 1365 N LYS A 85 6.231 -4.375 -3.197 1.00 23.22 N ATOM 1366 CA LYS A 85 6.824 -3.064 -3.429 1.00 44.31 C ATOM 1367 C LYS A 85 6.239 -2.416 -4.680 1.00 3.20 C ATOM 1368 O LYS A 85 6.139 -3.050 -5.730 1.00 2.02 O ATOM 1369 CB LYS A 85 8.344 -3.185 -3.568 1.00 75.40 C ATOM 1370 CG LYS A 85 9.025 -3.740 -2.329 1.00 1.41 C ATOM 1371 CD LYS A 85 10.507 -3.406 -2.312 1.00 24.05 C ATOM 1372 CE LYS A 85 11.356 -4.621 -2.655 1.00 41.53 C ATOM 1373 NZ LYS A 85 11.608 -4.725 -4.119 1.00 42.53 N ATOM 0 H LYS A 85 6.826 -5.160 -3.463 1.00 23.22 H new ATOM 0 HA LYS A 85 6.593 -2.432 -2.571 1.00 44.31 H new ATOM 0 HB2 LYS A 85 8.573 -3.829 -4.417 1.00 75.40 H new ATOM 0 HB3 LYS A 85 8.760 -2.202 -3.792 1.00 75.40 H new ATOM 0 HG2 LYS A 85 8.549 -3.332 -1.437 1.00 1.41 H new ATOM 0 HG3 LYS A 85 8.894 -4.822 -2.294 1.00 1.41 H new ATOM 0 HD2 LYS A 85 10.709 -2.607 -3.025 1.00 24.05 H new ATOM 0 HD3 LYS A 85 10.786 -3.032 -1.327 1.00 24.05 H new ATOM 0 HE2 LYS A 85 12.307 -4.561 -2.126 1.00 41.53 H new ATOM 0 HE3 LYS A 85 10.855 -5.524 -2.308 1.00 41.53 H new ATOM 0 HZ1 LYS A 85 12.190 -5.565 -4.312 1.00 42.53 H new ATOM 0 HZ2 LYS A 85 10.702 -4.808 -4.622 1.00 42.53 H new ATOM 0 HZ3 LYS A 85 12.109 -3.874 -4.446 1.00 42.53 H new ATOM 1387 N ALA A 86 5.856 -1.149 -4.560 1.00 53.05 N ATOM 1388 CA ALA A 86 5.284 -0.415 -5.683 1.00 2.25 C ATOM 1389 C ALA A 86 6.377 0.212 -6.542 1.00 73.11 C ATOM 1390 O ALA A 86 7.499 0.424 -6.082 1.00 32.24 O ATOM 1391 CB ALA A 86 4.326 0.655 -5.180 1.00 43.31 C ATOM 0 H ALA A 86 5.931 -0.610 -3.697 1.00 53.05 H new ATOM 0 HA ALA A 86 4.731 -1.120 -6.303 1.00 2.25 H new ATOM 0 HB1 ALA A 86 3.906 1.195 -6.028 1.00 43.31 H new ATOM 0 HB2 ALA A 86 3.521 0.186 -4.614 1.00 43.31 H new ATOM 0 HB3 ALA A 86 4.864 1.351 -4.536 1.00 43.31 H new ATOM 1397 N LYS A 87 6.042 0.506 -7.794 1.00 3.21 N ATOM 1398 CA LYS A 87 6.994 1.109 -8.719 1.00 43.41 C ATOM 1399 C LYS A 87 6.324 2.191 -9.561 1.00 24.31 C ATOM 1400 O LYS A 87 5.156 2.071 -9.928 1.00 23.51 O ATOM 1401 CB LYS A 87 7.599 0.039 -9.631 1.00 55.31 C ATOM 1402 CG LYS A 87 6.621 -0.508 -10.657 1.00 44.33 C ATOM 1403 CD LYS A 87 6.571 -2.026 -10.626 1.00 25.02 C ATOM 1404 CE LYS A 87 5.271 -2.553 -11.213 1.00 62.30 C ATOM 1405 NZ LYS A 87 5.371 -3.994 -11.577 1.00 12.12 N ATOM 0 H LYS A 87 5.118 0.336 -8.191 1.00 3.21 H new ATOM 0 HA LYS A 87 7.789 1.570 -8.133 1.00 43.41 H new ATOM 0 HB2 LYS A 87 8.460 0.460 -10.150 1.00 55.31 H new ATOM 0 HB3 LYS A 87 7.968 -0.783 -9.018 1.00 55.31 H new ATOM 0 HG2 LYS A 87 5.626 -0.106 -10.463 1.00 44.33 H new ATOM 0 HG3 LYS A 87 6.912 -0.173 -11.653 1.00 44.33 H new ATOM 0 HD2 LYS A 87 7.414 -2.430 -11.186 1.00 25.02 H new ATOM 0 HD3 LYS A 87 6.675 -2.374 -9.598 1.00 25.02 H new ATOM 0 HE2 LYS A 87 4.465 -2.416 -10.492 1.00 62.30 H new ATOM 0 HE3 LYS A 87 5.010 -1.972 -12.098 1.00 62.30 H new ATOM 0 HZ1 LYS A 87 4.465 -4.316 -11.974 1.00 12.12 H new ATOM 0 HZ2 LYS A 87 6.123 -4.122 -12.284 1.00 12.12 H new ATOM 0 HZ3 LYS A 87 5.595 -4.552 -10.728 1.00 12.12 H new ATOM 1419 N GLY A 88 7.073 3.247 -9.865 1.00 20.33 N ATOM 1420 CA GLY A 88 6.535 4.333 -10.662 1.00 74.03 C ATOM 1421 C GLY A 88 6.369 5.611 -9.865 1.00 14.15 C ATOM 1422 O GLY A 88 7.100 5.852 -8.903 1.00 50.25 O ATOM 0 H GLY A 88 8.043 3.369 -9.573 1.00 20.33 H new ATOM 0 HA2 GLY A 88 7.196 4.520 -11.509 1.00 74.03 H new ATOM 0 HA3 GLY A 88 5.569 4.036 -11.071 1.00 74.03 H new ATOM 1426 N THR A 89 5.405 6.435 -10.264 1.00 13.24 N ATOM 1427 CA THR A 89 5.147 7.697 -9.581 1.00 73.13 C ATOM 1428 C THR A 89 3.762 7.704 -8.943 1.00 64.20 C ATOM 1429 O THR A 89 2.978 6.773 -9.129 1.00 2.12 O ATOM 1430 CB THR A 89 5.260 8.891 -10.547 1.00 41.43 C ATOM 1431 OG1 THR A 89 4.142 8.906 -11.441 1.00 54.42 O ATOM 1432 CG2 THR A 89 6.553 8.821 -11.346 1.00 30.22 C ATOM 0 H THR A 89 4.790 6.251 -11.057 1.00 13.24 H new ATOM 0 HA THR A 89 5.903 7.795 -8.802 1.00 73.13 H new ATOM 0 HB THR A 89 5.265 9.807 -9.957 1.00 41.43 H new ATOM 0 HG1 THR A 89 4.221 9.669 -12.051 1.00 54.42 H new ATOM 0 HG21 THR A 89 6.610 9.675 -12.021 1.00 30.22 H new ATOM 0 HG22 THR A 89 7.403 8.840 -10.664 1.00 30.22 H new ATOM 0 HG23 THR A 89 6.573 7.898 -11.926 1.00 30.22 H new ATOM 1440 N ASP A 90 3.468 8.759 -8.191 1.00 61.32 N ATOM 1441 CA ASP A 90 2.176 8.887 -7.526 1.00 45.44 C ATOM 1442 C ASP A 90 1.034 8.760 -8.529 1.00 61.23 C ATOM 1443 O ASP A 90 0.012 8.137 -8.243 1.00 51.02 O ATOM 1444 CB ASP A 90 2.085 10.229 -6.798 1.00 41.45 C ATOM 1445 CG ASP A 90 0.788 10.383 -6.029 1.00 1.24 C ATOM 1446 OD1 ASP A 90 -0.255 10.639 -6.667 1.00 64.41 O ATOM 1447 OD2 ASP A 90 0.816 10.247 -4.788 1.00 15.42 O ATOM 0 H ASP A 90 4.106 9.538 -8.027 1.00 61.32 H new ATOM 0 HA ASP A 90 2.088 8.080 -6.798 1.00 45.44 H new ATOM 0 HB2 ASP A 90 2.925 10.324 -6.110 1.00 41.45 H new ATOM 0 HB3 ASP A 90 2.173 11.039 -7.522 1.00 41.45 H new ATOM 1452 N GLN A 91 1.215 9.354 -9.704 1.00 44.50 N ATOM 1453 CA GLN A 91 0.199 9.308 -10.748 1.00 54.41 C ATOM 1454 C GLN A 91 0.017 7.886 -11.268 1.00 52.34 C ATOM 1455 O GLN A 91 -1.094 7.476 -11.602 1.00 71.35 O ATOM 1456 CB GLN A 91 0.577 10.241 -11.900 1.00 5.02 C ATOM 1457 CG GLN A 91 -0.599 10.630 -12.780 1.00 15.43 C ATOM 1458 CD GLN A 91 -1.533 11.616 -12.104 1.00 24.42 C ATOM 1459 OE1 GLN A 91 -1.202 12.791 -11.943 1.00 34.22 O ATOM 1460 NE2 GLN A 91 -2.707 11.141 -11.704 1.00 65.20 N ATOM 0 H GLN A 91 2.056 9.873 -9.957 1.00 44.50 H new ATOM 0 HA GLN A 91 -0.745 9.641 -10.316 1.00 54.41 H new ATOM 0 HB2 GLN A 91 1.028 11.145 -11.491 1.00 5.02 H new ATOM 0 HB3 GLN A 91 1.335 9.756 -12.515 1.00 5.02 H new ATOM 0 HG2 GLN A 91 -0.226 11.066 -13.707 1.00 15.43 H new ATOM 0 HG3 GLN A 91 -1.157 9.734 -13.051 1.00 15.43 H new ATOM 0 HE21 GLN A 91 -2.939 10.160 -11.858 1.00 65.20 H new ATOM 0 HE22 GLN A 91 -3.376 11.757 -11.243 1.00 65.20 H new ATOM 1469 N GLN A 92 1.115 7.141 -11.334 1.00 61.35 N ATOM 1470 CA GLN A 92 1.076 5.765 -11.816 1.00 32.25 C ATOM 1471 C GLN A 92 0.275 4.879 -10.867 1.00 23.05 C ATOM 1472 O GLN A 92 -0.496 4.025 -11.302 1.00 13.35 O ATOM 1473 CB GLN A 92 2.495 5.215 -11.970 1.00 1.53 C ATOM 1474 CG GLN A 92 3.241 5.784 -13.166 1.00 72.33 C ATOM 1475 CD GLN A 92 4.114 4.752 -13.853 1.00 51.44 C ATOM 1476 OE1 GLN A 92 3.626 3.919 -14.617 1.00 30.51 O ATOM 1477 NE2 GLN A 92 5.413 4.804 -13.586 1.00 25.45 N ATOM 0 H GLN A 92 2.042 7.466 -11.060 1.00 61.35 H new ATOM 0 HA GLN A 92 0.585 5.761 -12.789 1.00 32.25 H new ATOM 0 HB2 GLN A 92 3.060 5.431 -11.063 1.00 1.53 H new ATOM 0 HB3 GLN A 92 2.447 4.130 -12.065 1.00 1.53 H new ATOM 0 HG2 GLN A 92 2.522 6.181 -13.883 1.00 72.33 H new ATOM 0 HG3 GLN A 92 3.861 6.619 -12.839 1.00 72.33 H new ATOM 0 HE21 GLN A 92 5.774 5.512 -12.946 1.00 25.45 H new ATOM 0 HE22 GLN A 92 6.050 4.136 -14.021 1.00 25.45 H new ATOM 1486 N ASN A 93 0.465 5.088 -9.568 1.00 3.32 N ATOM 1487 CA ASN A 93 -0.239 4.308 -8.557 1.00 23.31 C ATOM 1488 C ASN A 93 -1.670 4.808 -8.383 1.00 24.44 C ATOM 1489 O ASN A 93 -2.598 4.018 -8.207 1.00 51.21 O ATOM 1490 CB ASN A 93 0.504 4.377 -7.221 1.00 32.41 C ATOM 1491 CG ASN A 93 1.742 3.501 -7.202 1.00 1.31 C ATOM 1492 OD1 ASN A 93 1.910 2.664 -6.315 1.00 44.11 O ATOM 1493 ND2 ASN A 93 2.616 3.692 -8.183 1.00 62.22 N ATOM 0 H ASN A 93 1.101 5.791 -9.191 1.00 3.32 H new ATOM 0 HA ASN A 93 -0.274 3.271 -8.892 1.00 23.31 H new ATOM 0 HB2 ASN A 93 0.790 5.410 -7.020 1.00 32.41 H new ATOM 0 HB3 ASN A 93 -0.167 4.070 -6.419 1.00 32.41 H new ATOM 0 HD21 ASN A 93 3.468 3.133 -8.223 1.00 62.22 H new ATOM 0 HD22 ASN A 93 2.435 4.397 -8.897 1.00 62.22 H new ATOM 1500 N LYS A 94 -1.841 6.124 -8.433 1.00 4.33 N ATOM 1501 CA LYS A 94 -3.158 6.731 -8.283 1.00 3.54 C ATOM 1502 C LYS A 94 -4.095 6.281 -9.399 1.00 1.14 C ATOM 1503 O LYS A 94 -5.234 5.892 -9.145 1.00 13.14 O ATOM 1504 CB LYS A 94 -3.042 8.257 -8.284 1.00 43.43 C ATOM 1505 CG LYS A 94 -4.341 8.967 -7.945 1.00 73.41 C ATOM 1506 CD LYS A 94 -4.088 10.346 -7.360 1.00 63.03 C ATOM 1507 CE LYS A 94 -5.128 11.351 -7.831 1.00 33.33 C ATOM 1508 NZ LYS A 94 -6.003 11.807 -6.715 1.00 62.01 N ATOM 0 H LYS A 94 -1.083 6.792 -8.576 1.00 4.33 H new ATOM 0 HA LYS A 94 -3.574 6.405 -7.330 1.00 3.54 H new ATOM 0 HB2 LYS A 94 -2.277 8.555 -7.567 1.00 43.43 H new ATOM 0 HB3 LYS A 94 -2.704 8.586 -9.266 1.00 43.43 H new ATOM 0 HG2 LYS A 94 -4.951 9.059 -8.843 1.00 73.41 H new ATOM 0 HG3 LYS A 94 -4.909 8.368 -7.233 1.00 73.41 H new ATOM 0 HD2 LYS A 94 -4.103 10.289 -6.272 1.00 63.03 H new ATOM 0 HD3 LYS A 94 -3.094 10.688 -7.648 1.00 63.03 H new ATOM 0 HE2 LYS A 94 -4.627 12.211 -8.275 1.00 33.33 H new ATOM 0 HE3 LYS A 94 -5.740 10.901 -8.612 1.00 33.33 H new ATOM 0 HZ1 LYS A 94 -6.698 12.491 -7.076 1.00 62.01 H new ATOM 0 HZ2 LYS A 94 -6.501 10.990 -6.308 1.00 62.01 H new ATOM 0 HZ3 LYS A 94 -5.422 12.259 -5.981 1.00 62.01 H new ATOM 1522 N GLU A 95 -3.606 6.335 -10.634 1.00 13.53 N ATOM 1523 CA GLU A 95 -4.401 5.932 -11.788 1.00 15.15 C ATOM 1524 C GLU A 95 -4.593 4.418 -11.814 1.00 13.43 C ATOM 1525 O GLU A 95 -5.668 3.924 -12.155 1.00 62.22 O ATOM 1526 CB GLU A 95 -3.732 6.395 -13.083 1.00 60.12 C ATOM 1527 CG GLU A 95 -3.664 7.906 -13.227 1.00 62.11 C ATOM 1528 CD GLU A 95 -4.680 8.444 -14.216 1.00 3.33 C ATOM 1529 OE1 GLU A 95 -5.882 8.148 -14.051 1.00 2.23 O ATOM 1530 OE2 GLU A 95 -4.273 9.161 -15.154 1.00 73.10 O ATOM 0 H GLU A 95 -2.664 6.654 -10.861 1.00 13.53 H new ATOM 0 HA GLU A 95 -5.380 6.404 -11.705 1.00 15.15 H new ATOM 0 HB2 GLU A 95 -2.721 5.989 -13.125 1.00 60.12 H new ATOM 0 HB3 GLU A 95 -4.277 5.982 -13.932 1.00 60.12 H new ATOM 0 HG2 GLU A 95 -3.830 8.368 -12.254 1.00 62.11 H new ATOM 0 HG3 GLU A 95 -2.663 8.192 -13.549 1.00 62.11 H new ATOM 1537 N TYR A 96 -3.544 3.689 -11.451 1.00 70.13 N ATOM 1538 CA TYR A 96 -3.595 2.232 -11.436 1.00 21.22 C ATOM 1539 C TYR A 96 -4.699 1.735 -10.507 1.00 43.02 C ATOM 1540 O TYR A 96 -5.485 0.860 -10.872 1.00 13.31 O ATOM 1541 CB TYR A 96 -2.247 1.658 -10.996 1.00 43.24 C ATOM 1542 CG TYR A 96 -2.214 0.147 -10.960 1.00 75.02 C ATOM 1543 CD1 TYR A 96 -1.932 -0.589 -12.104 1.00 71.21 C ATOM 1544 CD2 TYR A 96 -2.466 -0.545 -9.781 1.00 45.45 C ATOM 1545 CE1 TYR A 96 -1.902 -1.970 -12.076 1.00 34.04 C ATOM 1546 CE2 TYR A 96 -2.437 -1.925 -9.743 1.00 65.33 C ATOM 1547 CZ TYR A 96 -2.155 -2.633 -10.893 1.00 70.40 C ATOM 1548 OH TYR A 96 -2.125 -4.009 -10.860 1.00 40.22 O ATOM 0 H TYR A 96 -2.648 4.083 -11.163 1.00 70.13 H new ATOM 0 HA TYR A 96 -3.815 1.891 -12.448 1.00 21.22 H new ATOM 0 HB2 TYR A 96 -1.472 2.014 -11.674 1.00 43.24 H new ATOM 0 HB3 TYR A 96 -2.004 2.042 -10.005 1.00 43.24 H new ATOM 0 HD1 TYR A 96 -1.733 -0.073 -13.031 1.00 71.21 H new ATOM 0 HD2 TYR A 96 -2.688 0.006 -8.879 1.00 45.45 H new ATOM 0 HE1 TYR A 96 -1.682 -2.527 -12.975 1.00 34.04 H new ATOM 0 HE2 TYR A 96 -2.634 -2.447 -8.818 1.00 65.33 H new ATOM 0 HH TYR A 96 -2.323 -4.319 -9.952 1.00 40.22 H new ATOM 1558 N CYS A 97 -4.751 2.300 -9.306 1.00 25.30 N ATOM 1559 CA CYS A 97 -5.757 1.915 -8.323 1.00 55.22 C ATOM 1560 C CYS A 97 -7.158 2.272 -8.811 1.00 63.35 C ATOM 1561 O CYS A 97 -8.118 1.543 -8.561 1.00 3.24 O ATOM 1562 CB CYS A 97 -5.481 2.601 -6.984 1.00 72.33 C ATOM 1563 SG CYS A 97 -3.940 2.083 -6.194 1.00 23.41 S ATOM 0 H CYS A 97 -4.108 3.026 -8.990 1.00 25.30 H new ATOM 0 HA CYS A 97 -5.702 0.835 -8.188 1.00 55.22 H new ATOM 0 HB2 CYS A 97 -5.453 3.679 -7.139 1.00 72.33 H new ATOM 0 HB3 CYS A 97 -6.310 2.398 -6.306 1.00 72.33 H new ATOM 0 HG CYS A 97 -2.938 2.693 -6.755 1.00 23.41 H new ATOM 1569 N SER A 98 -7.267 3.398 -9.509 1.00 2.12 N ATOM 1570 CA SER A 98 -8.551 3.855 -10.028 1.00 22.43 C ATOM 1571 C SER A 98 -8.911 3.116 -11.313 1.00 31.52 C ATOM 1572 O SER A 98 -10.048 3.177 -11.781 1.00 33.13 O ATOM 1573 CB SER A 98 -8.513 5.362 -10.286 1.00 55.02 C ATOM 1574 OG SER A 98 -8.013 5.645 -11.581 1.00 52.14 O ATOM 0 H SER A 98 -6.482 4.011 -9.728 1.00 2.12 H new ATOM 0 HA SER A 98 -9.315 3.641 -9.280 1.00 22.43 H new ATOM 0 HB2 SER A 98 -9.515 5.778 -10.181 1.00 55.02 H new ATOM 0 HB3 SER A 98 -7.887 5.847 -9.537 1.00 55.02 H new ATOM 0 HG SER A 98 -7.209 5.109 -11.746 1.00 52.14 H new ATOM 1580 N LYS A 99 -7.934 2.416 -11.880 1.00 4.43 N ATOM 1581 CA LYS A 99 -8.145 1.663 -13.110 1.00 51.42 C ATOM 1582 C LYS A 99 -9.249 0.626 -12.930 1.00 63.13 C ATOM 1583 O LYS A 99 -9.855 0.178 -13.903 1.00 32.44 O ATOM 1584 CB LYS A 99 -6.848 0.974 -13.540 1.00 0.40 C ATOM 1585 CG LYS A 99 -6.943 0.287 -14.891 1.00 33.20 C ATOM 1586 CD LYS A 99 -5.654 -0.437 -15.240 1.00 61.33 C ATOM 1587 CE LYS A 99 -5.358 -1.557 -14.254 1.00 15.31 C ATOM 1588 NZ LYS A 99 -5.190 -2.869 -14.938 1.00 11.31 N ATOM 0 H LYS A 99 -6.987 2.355 -11.506 1.00 4.43 H new ATOM 0 HA LYS A 99 -8.451 2.363 -13.887 1.00 51.42 H new ATOM 0 HB2 LYS A 99 -6.048 1.713 -13.573 1.00 0.40 H new ATOM 0 HB3 LYS A 99 -6.571 0.237 -12.786 1.00 0.40 H new ATOM 0 HG2 LYS A 99 -7.769 -0.424 -14.882 1.00 33.20 H new ATOM 0 HG3 LYS A 99 -7.166 1.026 -15.661 1.00 33.20 H new ATOM 0 HD2 LYS A 99 -5.728 -0.848 -16.247 1.00 61.33 H new ATOM 0 HD3 LYS A 99 -4.827 0.273 -15.245 1.00 61.33 H new ATOM 0 HE2 LYS A 99 -4.452 -1.320 -13.696 1.00 15.31 H new ATOM 0 HE3 LYS A 99 -6.169 -1.627 -13.529 1.00 15.31 H new ATOM 0 HZ1 LYS A 99 -4.990 -3.606 -14.232 1.00 11.31 H new ATOM 0 HZ2 LYS A 99 -6.063 -3.108 -15.450 1.00 11.31 H new ATOM 0 HZ3 LYS A 99 -4.399 -2.811 -15.611 1.00 11.31 H new ATOM 1602 N GLU A 100 -9.504 0.250 -11.681 1.00 0.41 N ATOM 1603 CA GLU A 100 -10.536 -0.734 -11.375 1.00 44.24 C ATOM 1604 C GLU A 100 -11.928 -0.138 -11.561 1.00 11.10 C ATOM 1605 O GLU A 100 -12.919 -0.862 -11.641 1.00 35.01 O ATOM 1606 CB GLU A 100 -10.375 -1.246 -9.942 1.00 41.15 C ATOM 1607 CG GLU A 100 -9.163 -2.142 -9.749 1.00 33.23 C ATOM 1608 CD GLU A 100 -8.505 -1.949 -8.397 1.00 3.34 C ATOM 1609 OE1 GLU A 100 -7.666 -1.032 -8.272 1.00 2.11 O ATOM 1610 OE2 GLU A 100 -8.828 -2.713 -7.464 1.00 24.41 O ATOM 0 H GLU A 100 -9.010 0.612 -10.865 1.00 0.41 H new ATOM 0 HA GLU A 100 -10.422 -1.569 -12.066 1.00 44.24 H new ATOM 0 HB2 GLU A 100 -10.297 -0.394 -9.267 1.00 41.15 H new ATOM 0 HB3 GLU A 100 -11.272 -1.796 -9.659 1.00 41.15 H new ATOM 0 HG2 GLU A 100 -9.465 -3.184 -9.857 1.00 33.23 H new ATOM 0 HG3 GLU A 100 -8.436 -1.938 -10.535 1.00 33.23 H new ATOM 1617 N GLY A 101 -11.994 1.188 -11.628 1.00 41.42 N ATOM 1618 CA GLY A 101 -13.268 1.860 -11.803 1.00 14.11 C ATOM 1619 C GLY A 101 -14.015 2.036 -10.496 1.00 10.25 C ATOM 1620 O GLY A 101 -15.086 2.641 -10.461 1.00 63.13 O ATOM 0 H GLY A 101 -11.187 1.809 -11.564 1.00 41.42 H new ATOM 0 HA2 GLY A 101 -13.101 2.837 -12.257 1.00 14.11 H new ATOM 0 HA3 GLY A 101 -13.885 1.288 -12.496 1.00 14.11 H new ATOM 1624 N ASN A 102 -13.449 1.505 -9.417 1.00 33.14 N ATOM 1625 CA ASN A 102 -14.070 1.605 -8.101 1.00 21.44 C ATOM 1626 C ASN A 102 -13.047 2.016 -7.046 1.00 43.03 C ATOM 1627 O ASN A 102 -12.003 1.379 -6.896 1.00 40.34 O ATOM 1628 CB ASN A 102 -14.710 0.270 -7.713 1.00 64.10 C ATOM 1629 CG ASN A 102 -16.215 0.373 -7.561 1.00 60.30 C ATOM 1630 OD1 ASN A 102 -16.871 1.135 -8.271 1.00 51.00 O ATOM 1631 ND2 ASN A 102 -16.770 -0.397 -6.631 1.00 45.54 N ATOM 0 H ASN A 102 -12.562 1.001 -9.428 1.00 33.14 H new ATOM 0 HA ASN A 102 -14.844 2.371 -8.150 1.00 21.44 H new ATOM 0 HB2 ASN A 102 -14.474 -0.477 -8.471 1.00 64.10 H new ATOM 0 HB3 ASN A 102 -14.276 -0.079 -6.776 1.00 64.10 H new ATOM 0 HD21 ASN A 102 -17.779 -0.371 -6.483 1.00 45.54 H new ATOM 0 HD22 ASN A 102 -16.187 -1.014 -6.065 1.00 45.54 H new ATOM 1638 N LEU A 103 -13.353 3.084 -6.318 1.00 20.22 N ATOM 1639 CA LEU A 103 -12.461 3.581 -5.276 1.00 62.21 C ATOM 1640 C LEU A 103 -12.957 3.171 -3.893 1.00 42.11 C ATOM 1641 O LEU A 103 -14.091 3.468 -3.515 1.00 40.33 O ATOM 1642 CB LEU A 103 -12.347 5.104 -5.359 1.00 24.01 C ATOM 1643 CG LEU A 103 -10.964 5.655 -5.708 1.00 4.44 C ATOM 1644 CD1 LEU A 103 -10.011 5.487 -4.535 1.00 4.25 C ATOM 1645 CD2 LEU A 103 -10.412 4.967 -6.948 1.00 13.31 C ATOM 0 H LEU A 103 -14.212 3.623 -6.430 1.00 20.22 H new ATOM 0 HA LEU A 103 -11.477 3.140 -5.434 1.00 62.21 H new ATOM 0 HB2 LEU A 103 -13.057 5.461 -6.105 1.00 24.01 H new ATOM 0 HB3 LEU A 103 -12.652 5.524 -4.401 1.00 24.01 H new ATOM 0 HG LEU A 103 -11.062 6.719 -5.921 1.00 4.44 H new ATOM 0 HD11 LEU A 103 -9.032 5.885 -4.802 1.00 4.25 H new ATOM 0 HD12 LEU A 103 -10.399 6.027 -3.671 1.00 4.25 H new ATOM 0 HD13 LEU A 103 -9.918 4.429 -4.290 1.00 4.25 H new ATOM 0 HD21 LEU A 103 -9.427 5.372 -7.181 1.00 13.31 H new ATOM 0 HD22 LEU A 103 -10.329 3.896 -6.763 1.00 13.31 H new ATOM 0 HD23 LEU A 103 -11.084 5.139 -7.789 1.00 13.31 H new ATOM 1657 N LEU A 104 -12.100 2.489 -3.141 1.00 40.30 N ATOM 1658 CA LEU A 104 -12.450 2.040 -1.798 1.00 1.52 C ATOM 1659 C LEU A 104 -12.089 3.097 -0.759 1.00 44.41 C ATOM 1660 O LEU A 104 -12.757 3.228 0.266 1.00 40.32 O ATOM 1661 CB LEU A 104 -11.735 0.727 -1.475 1.00 74.14 C ATOM 1662 CG LEU A 104 -12.495 -0.247 -0.573 1.00 50.55 C ATOM 1663 CD1 LEU A 104 -12.727 0.367 0.799 1.00 42.14 C ATOM 1664 CD2 LEU A 104 -13.818 -0.644 -1.212 1.00 63.03 C ATOM 0 H LEU A 104 -11.158 2.235 -3.438 1.00 40.30 H new ATOM 0 HA LEU A 104 -13.527 1.878 -1.766 1.00 1.52 H new ATOM 0 HB2 LEU A 104 -11.507 0.220 -2.413 1.00 74.14 H new ATOM 0 HB3 LEU A 104 -10.782 0.962 -1.001 1.00 74.14 H new ATOM 0 HG LEU A 104 -11.890 -1.145 -0.449 1.00 50.55 H new ATOM 0 HD11 LEU A 104 -13.269 -0.340 1.427 1.00 42.14 H new ATOM 0 HD12 LEU A 104 -11.767 0.600 1.260 1.00 42.14 H new ATOM 0 HD13 LEU A 104 -13.311 1.281 0.694 1.00 42.14 H new ATOM 0 HD21 LEU A 104 -14.345 -1.337 -0.556 1.00 63.03 H new ATOM 0 HD22 LEU A 104 -14.429 0.245 -1.366 1.00 63.03 H new ATOM 0 HD23 LEU A 104 -13.629 -1.125 -2.172 1.00 63.03 H new ATOM 1676 N MET A 105 -11.028 3.850 -1.033 1.00 12.32 N ATOM 1677 CA MET A 105 -10.580 4.899 -0.123 1.00 74.51 C ATOM 1678 C MET A 105 -9.731 5.930 -0.858 1.00 64.04 C ATOM 1679 O MET A 105 -8.874 5.577 -1.668 1.00 4.12 O ATOM 1680 CB MET A 105 -9.782 4.293 1.033 1.00 42.20 C ATOM 1681 CG MET A 105 -8.848 5.283 1.710 1.00 23.01 C ATOM 1682 SD MET A 105 -8.690 4.989 3.482 1.00 32.30 S ATOM 1683 CE MET A 105 -7.258 3.914 3.521 1.00 43.13 C ATOM 0 H MET A 105 -10.463 3.754 -1.877 1.00 12.32 H new ATOM 0 HA MET A 105 -11.461 5.400 0.277 1.00 74.51 H new ATOM 0 HB2 MET A 105 -10.476 3.895 1.774 1.00 42.20 H new ATOM 0 HB3 MET A 105 -9.198 3.452 0.659 1.00 42.20 H new ATOM 0 HG2 MET A 105 -7.863 5.223 1.246 1.00 23.01 H new ATOM 0 HG3 MET A 105 -9.217 6.295 1.545 1.00 23.01 H new ATOM 0 HE1 MET A 105 -6.862 3.872 4.536 1.00 43.13 H new ATOM 0 HE2 MET A 105 -7.546 2.912 3.202 1.00 43.13 H new ATOM 0 HE3 MET A 105 -6.493 4.303 2.849 1.00 43.13 H new ATOM 1693 N GLU A 106 -9.975 7.205 -0.571 1.00 63.20 N ATOM 1694 CA GLU A 106 -9.232 8.286 -1.207 1.00 4.31 C ATOM 1695 C GLU A 106 -8.747 9.296 -0.171 1.00 10.24 C ATOM 1696 O GLU A 106 -9.530 10.091 0.351 1.00 73.21 O ATOM 1697 CB GLU A 106 -10.103 8.988 -2.251 1.00 5.41 C ATOM 1698 CG GLU A 106 -9.309 9.605 -3.390 1.00 41.14 C ATOM 1699 CD GLU A 106 -8.943 11.053 -3.130 1.00 11.44 C ATOM 1700 OE1 GLU A 106 -7.992 11.295 -2.357 1.00 31.43 O ATOM 1701 OE2 GLU A 106 -9.607 11.945 -3.698 1.00 13.24 O ATOM 0 H GLU A 106 -10.681 7.514 0.097 1.00 63.20 H new ATOM 0 HA GLU A 106 -8.363 7.853 -1.702 1.00 4.31 H new ATOM 0 HB2 GLU A 106 -10.813 8.270 -2.661 1.00 5.41 H new ATOM 0 HB3 GLU A 106 -10.685 9.768 -1.761 1.00 5.41 H new ATOM 0 HG2 GLU A 106 -8.398 9.027 -3.548 1.00 41.14 H new ATOM 0 HG3 GLU A 106 -9.891 9.541 -4.310 1.00 41.14 H new ATOM 1708 N CYS A 107 -7.452 9.258 0.123 1.00 51.52 N ATOM 1709 CA CYS A 107 -6.862 10.169 1.098 1.00 52.02 C ATOM 1710 C CYS A 107 -5.383 10.396 0.804 1.00 23.45 C ATOM 1711 O CYS A 107 -4.827 9.812 -0.125 1.00 31.42 O ATOM 1712 CB CYS A 107 -7.035 9.616 2.513 1.00 31.31 C ATOM 1713 SG CYS A 107 -8.589 10.091 3.307 1.00 63.23 S ATOM 0 H CYS A 107 -6.791 8.606 -0.300 1.00 51.52 H new ATOM 0 HA CYS A 107 -7.379 11.126 1.024 1.00 52.02 H new ATOM 0 HB2 CYS A 107 -6.976 8.528 2.476 1.00 31.31 H new ATOM 0 HB3 CYS A 107 -6.205 9.959 3.130 1.00 31.31 H new ATOM 0 HG CYS A 107 -9.521 10.197 2.407 1.00 63.23 H new ATOM 1719 N GLY A 108 -4.750 11.250 1.604 1.00 72.35 N ATOM 1720 CA GLY A 108 -3.341 11.540 1.412 1.00 12.11 C ATOM 1721 C GLY A 108 -3.111 12.685 0.446 1.00 73.14 C ATOM 1722 O GLY A 108 -4.062 13.258 -0.085 1.00 41.15 O ATOM 0 H GLY A 108 -5.188 11.745 2.381 1.00 72.35 H new ATOM 0 HA2 GLY A 108 -2.889 11.784 2.374 1.00 12.11 H new ATOM 0 HA3 GLY A 108 -2.837 10.648 1.040 1.00 12.11 H new ATOM 1726 N ALA A 109 -1.846 13.020 0.218 1.00 65.11 N ATOM 1727 CA ALA A 109 -1.494 14.104 -0.691 1.00 63.53 C ATOM 1728 C ALA A 109 -0.811 13.568 -1.945 1.00 44.21 C ATOM 1729 O ALA A 109 -0.278 12.458 -1.965 1.00 51.33 O ATOM 1730 CB ALA A 109 -0.597 15.112 0.011 1.00 25.34 C ATOM 0 H ALA A 109 -1.047 12.556 0.650 1.00 65.11 H new ATOM 0 HA ALA A 109 -2.414 14.604 -0.995 1.00 63.53 H new ATOM 0 HB1 ALA A 109 -0.342 15.916 -0.680 1.00 25.34 H new ATOM 0 HB2 ALA A 109 -1.120 15.527 0.873 1.00 25.34 H new ATOM 0 HB3 ALA A 109 0.315 14.617 0.344 1.00 25.34 H new ATOM 1736 N PRO A 110 -0.825 14.374 -3.018 1.00 34.54 N ATOM 1737 CA PRO A 110 -0.212 14.001 -4.296 1.00 5.23 C ATOM 1738 C PRO A 110 1.311 13.968 -4.220 1.00 21.04 C ATOM 1739 O PRO A 110 1.967 15.009 -4.257 1.00 14.44 O ATOM 1740 CB PRO A 110 -0.675 15.107 -5.247 1.00 74.34 C ATOM 1741 CG PRO A 110 -0.945 16.277 -4.366 1.00 2.01 C ATOM 1742 CD PRO A 110 -1.442 15.710 -3.065 1.00 71.11 C ATOM 0 HA PRO A 110 -0.503 12.999 -4.611 1.00 5.23 H new ATOM 0 HB2 PRO A 110 0.090 15.338 -5.988 1.00 74.34 H new ATOM 0 HB3 PRO A 110 -1.569 14.809 -5.795 1.00 74.34 H new ATOM 0 HG2 PRO A 110 -0.042 16.868 -4.214 1.00 2.01 H new ATOM 0 HG3 PRO A 110 -1.687 16.938 -4.812 1.00 2.01 H new ATOM 0 HD2 PRO A 110 -1.138 16.323 -2.217 1.00 71.11 H new ATOM 0 HD3 PRO A 110 -2.530 15.651 -3.042 1.00 71.11 H new ATOM 1750 N ARG A 111 1.868 12.766 -4.113 1.00 75.25 N ATOM 1751 CA ARG A 111 3.313 12.598 -4.031 1.00 64.35 C ATOM 1752 C ARG A 111 3.974 12.914 -5.370 1.00 62.51 C ATOM 1753 O ARG A 111 3.350 12.798 -6.425 1.00 32.14 O ATOM 1754 CB ARG A 111 3.659 11.170 -3.604 1.00 71.03 C ATOM 1755 CG ARG A 111 3.524 10.932 -2.109 1.00 41.12 C ATOM 1756 CD ARG A 111 4.494 11.795 -1.318 1.00 42.50 C ATOM 1757 NE ARG A 111 3.873 13.033 -0.854 1.00 53.14 N ATOM 1758 CZ ARG A 111 4.550 14.034 -0.302 1.00 60.44 C ATOM 1759 NH1 ARG A 111 5.864 13.943 -0.146 1.00 75.13 N ATOM 1760 NH2 ARG A 111 3.913 15.128 0.094 1.00 4.15 N ATOM 0 H ARG A 111 1.340 11.894 -4.081 1.00 75.25 H new ATOM 0 HA ARG A 111 3.693 13.295 -3.284 1.00 64.35 H new ATOM 0 HB2 ARG A 111 3.009 10.474 -4.134 1.00 71.03 H new ATOM 0 HB3 ARG A 111 4.682 10.947 -3.908 1.00 71.03 H new ATOM 0 HG2 ARG A 111 2.503 11.149 -1.796 1.00 41.12 H new ATOM 0 HG3 ARG A 111 3.708 9.880 -1.889 1.00 41.12 H new ATOM 0 HD2 ARG A 111 4.864 11.232 -0.461 1.00 42.50 H new ATOM 0 HD3 ARG A 111 5.357 12.033 -1.940 1.00 42.50 H new ATOM 0 HE ARG A 111 2.864 13.135 -0.960 1.00 53.14 H new ATOM 0 HH11 ARG A 111 6.357 13.103 -0.450 1.00 75.13 H new ATOM 0 HH12 ARG A 111 6.382 14.713 0.278 1.00 75.13 H new ATOM 0 HH21 ARG A 111 2.903 15.201 -0.025 1.00 4.15 H new ATOM 0 HH22 ARG A 111 4.434 15.896 0.518 1.00 4.15 H new ATOM 1774 N SER A 112 5.241 13.313 -5.319 1.00 51.13 N ATOM 1775 CA SER A 112 5.985 13.650 -6.527 1.00 63.11 C ATOM 1776 C SER A 112 7.489 13.576 -6.277 1.00 55.40 C ATOM 1777 O SER A 112 7.949 13.744 -5.148 1.00 71.11 O ATOM 1778 CB SER A 112 5.605 15.050 -7.012 1.00 3.41 C ATOM 1779 OG SER A 112 4.913 14.992 -8.247 1.00 12.11 O ATOM 0 H SER A 112 5.773 13.411 -4.455 1.00 51.13 H new ATOM 0 HA SER A 112 5.726 12.924 -7.298 1.00 63.11 H new ATOM 0 HB2 SER A 112 4.981 15.540 -6.265 1.00 3.41 H new ATOM 0 HB3 SER A 112 6.504 15.656 -7.124 1.00 3.41 H new ATOM 0 HG SER A 112 4.680 15.899 -8.534 1.00 12.11 H new ATOM 1785 N GLN A 113 8.247 13.325 -7.339 1.00 60.30 N ATOM 1786 CA GLN A 113 9.698 13.228 -7.235 1.00 42.10 C ATOM 1787 C GLN A 113 10.370 13.736 -8.506 1.00 41.15 C ATOM 1788 O GLN A 113 9.702 14.046 -9.492 1.00 64.43 O ATOM 1789 CB GLN A 113 10.116 11.781 -6.966 1.00 42.52 C ATOM 1790 CG GLN A 113 11.089 11.635 -5.807 1.00 61.44 C ATOM 1791 CD GLN A 113 10.642 10.596 -4.798 1.00 32.20 C ATOM 1792 OE1 GLN A 113 10.228 10.930 -3.688 1.00 14.34 O ATOM 1793 NE2 GLN A 113 10.723 9.326 -5.179 1.00 11.30 N ATOM 0 H GLN A 113 7.881 13.185 -8.281 1.00 60.30 H new ATOM 0 HA GLN A 113 10.020 13.852 -6.401 1.00 42.10 H new ATOM 0 HB2 GLN A 113 9.226 11.187 -6.760 1.00 42.52 H new ATOM 0 HB3 GLN A 113 10.572 11.370 -7.867 1.00 42.52 H new ATOM 0 HG2 GLN A 113 12.071 11.362 -6.194 1.00 61.44 H new ATOM 0 HG3 GLN A 113 11.200 12.597 -5.307 1.00 61.44 H new ATOM 0 HE21 GLN A 113 11.072 9.094 -6.109 1.00 11.30 H new ATOM 0 HE22 GLN A 113 10.436 8.583 -4.542 1.00 11.30 H new ATOM 1802 N GLY A 114 11.697 13.820 -8.476 1.00 72.12 N ATOM 1803 CA GLY A 114 12.437 14.291 -9.632 1.00 11.51 C ATOM 1804 C GLY A 114 13.751 14.944 -9.252 1.00 1.40 C ATOM 1805 O GLY A 114 13.849 16.170 -9.198 1.00 70.00 O ATOM 0 H GLY A 114 12.272 13.570 -7.672 1.00 72.12 H new ATOM 0 HA2 GLY A 114 12.631 13.453 -10.301 1.00 11.51 H new ATOM 0 HA3 GLY A 114 11.826 15.005 -10.184 1.00 11.51 H new ATOM 1809 N GLN A 115 14.763 14.124 -8.987 1.00 14.24 N ATOM 1810 CA GLN A 115 16.076 14.630 -8.607 1.00 44.31 C ATOM 1811 C GLN A 115 17.100 13.501 -8.553 1.00 31.12 C ATOM 1812 O GLN A 115 16.792 12.391 -8.118 1.00 14.23 O ATOM 1813 CB GLN A 115 16.003 15.334 -7.251 1.00 21.22 C ATOM 1814 CG GLN A 115 15.746 14.389 -6.088 1.00 63.53 C ATOM 1815 CD GLN A 115 15.612 15.115 -4.764 1.00 71.24 C ATOM 1816 OE1 GLN A 115 15.273 16.298 -4.724 1.00 21.12 O ATOM 1817 NE2 GLN A 115 15.877 14.408 -3.672 1.00 1.32 N ATOM 0 H GLN A 115 14.699 13.107 -9.029 1.00 14.24 H new ATOM 0 HA GLN A 115 16.393 15.348 -9.364 1.00 44.31 H new ATOM 0 HB2 GLN A 115 16.938 15.866 -7.076 1.00 21.22 H new ATOM 0 HB3 GLN A 115 15.211 16.083 -7.282 1.00 21.22 H new ATOM 0 HG2 GLN A 115 14.835 13.822 -6.280 1.00 63.53 H new ATOM 0 HG3 GLN A 115 16.562 13.670 -6.022 1.00 63.53 H new ATOM 0 HE21 GLN A 115 16.155 13.430 -3.753 1.00 1.32 H new ATOM 0 HE22 GLN A 115 15.803 14.843 -2.752 1.00 1.32 H new ATOM 1826 N ARG A 116 18.318 13.791 -8.997 1.00 42.14 N ATOM 1827 CA ARG A 116 19.387 12.799 -9.001 1.00 13.22 C ATOM 1828 C ARG A 116 19.997 12.653 -7.610 1.00 31.21 C ATOM 1829 O ARG A 116 21.019 13.266 -7.302 1.00 63.13 O ATOM 1830 CB ARG A 116 20.471 13.190 -10.007 1.00 1.04 C ATOM 1831 CG ARG A 116 21.297 12.013 -10.500 1.00 12.11 C ATOM 1832 CD ARG A 116 22.689 12.450 -10.928 1.00 70.04 C ATOM 1833 NE ARG A 116 22.906 12.260 -12.360 1.00 72.01 N ATOM 1834 CZ ARG A 116 23.991 12.679 -13.001 1.00 23.01 C ATOM 1835 NH1 ARG A 116 24.954 13.308 -12.341 1.00 33.05 N ATOM 1836 NH2 ARG A 116 24.116 12.469 -14.305 1.00 70.41 N ATOM 0 H ARG A 116 18.590 14.705 -9.359 1.00 42.14 H new ATOM 0 HA ARG A 116 18.959 11.840 -9.294 1.00 13.22 H new ATOM 0 HB2 ARG A 116 20.003 13.678 -10.862 1.00 1.04 H new ATOM 0 HB3 ARG A 116 21.135 13.922 -9.547 1.00 1.04 H new ATOM 0 HG2 ARG A 116 21.376 11.266 -9.710 1.00 12.11 H new ATOM 0 HG3 ARG A 116 20.790 11.537 -11.339 1.00 12.11 H new ATOM 0 HD2 ARG A 116 22.833 13.501 -10.676 1.00 70.04 H new ATOM 0 HD3 ARG A 116 23.434 11.883 -10.370 1.00 70.04 H new ATOM 0 HE ARG A 116 22.184 11.779 -12.897 1.00 72.01 H new ATOM 0 HH11 ARG A 116 24.863 13.471 -11.338 1.00 33.05 H new ATOM 0 HH12 ARG A 116 25.786 13.629 -12.836 1.00 33.05 H new ATOM 0 HH21 ARG A 116 23.378 11.985 -14.817 1.00 70.41 H new ATOM 0 HH22 ARG A 116 24.950 12.791 -14.796 1.00 70.41 H new TER 1850 ARG A 116