USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 786 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 45 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.63! C(o=0.55!,f=-9.2!) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.621! C(o=-0.57!,f=-5.2!) USER MOD Set 2.2: A 32 THR OG1 : rot -91:sc= 0.0538 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.6!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.155 USER MOD Single : A 22 ASN : amide:sc= -0.122 K(o=-0.12,f=-6.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 34 SER OG : rot 89:sc= 0.14 USER MOD Single : A 35 THR OG1 : rot 176:sc= 1.37 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0868! C(o=-0.087!,f=-3.5!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 64 SER OG : rot -61:sc= 1.38 USER MOD Single : A 65 ASN : amide:sc= 0.0891 X(o=0.089,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-7.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 143:sc= 0.466 USER MOD Single : A 83 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.82) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0933 USER MOD Single : A 95 SER OG : rot -140:sc= 0.236 USER MOD Single : A 98 SER OG : rot -46:sc= 0.826 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0036 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 18.014 -3.490 2.448 1.00 1.09 N ATOM 78 CA LYS A 7 16.611 -3.913 2.616 1.00 1.10 C ATOM 79 C LYS A 7 15.834 -2.793 3.293 1.00 0.91 C ATOM 80 O LYS A 7 16.133 -2.429 4.434 1.00 0.98 O ATOM 81 CB LYS A 7 16.436 -5.195 3.440 1.00 1.37 C ATOM 82 CG LYS A 7 15.211 -6.003 3.054 1.00 1.06 C ATOM 83 CD LYS A 7 14.869 -7.029 4.118 1.00 1.05 C ATOM 84 CE LYS A 7 13.685 -6.590 4.961 1.00 1.34 C ATOM 85 NZ LYS A 7 13.093 -7.723 5.720 1.00 2.06 N ATOM 0 HA LYS A 7 16.235 -4.128 1.616 1.00 1.10 H new ATOM 0 HB2 LYS A 7 17.323 -5.817 3.322 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.370 -4.932 4.496 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.363 -5.334 2.905 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.390 -6.507 2.104 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.644 -7.984 3.644 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.734 -7.189 4.761 1.00 1.05 H new ATOM 0 HE2 LYS A 7 14.003 -5.814 5.657 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.925 -6.148 4.317 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 12.288 -7.381 6.282 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.766 -8.453 5.055 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 13.811 -8.129 6.354 1.00 2.06 H new ATOM 99 N PRO A 8 14.860 -2.192 2.593 1.00 0.74 N ATOM 100 CA PRO A 8 14.043 -1.116 3.155 1.00 0.60 C ATOM 101 C PRO A 8 13.270 -1.581 4.376 1.00 0.52 C ATOM 102 O PRO A 8 12.934 -2.763 4.497 1.00 0.60 O ATOM 103 CB PRO A 8 13.071 -0.756 2.031 1.00 0.61 C ATOM 104 CG PRO A 8 13.699 -1.289 0.791 1.00 0.84 C ATOM 105 CD PRO A 8 14.483 -2.502 1.206 1.00 0.81 C ATOM 0 HA PRO A 8 14.655 -0.276 3.483 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.091 -1.202 2.200 1.00 0.61 H new ATOM 0 HB3 PRO A 8 12.924 0.322 1.967 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.941 -1.549 0.052 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.349 -0.544 0.332 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.884 -3.411 1.144 1.00 0.81 H new ATOM 0 HD3 PRO A 8 15.358 -2.653 0.574 1.00 0.81 H new ATOM 113 N ASP A 9 12.935 -0.650 5.245 1.00 0.44 N ATOM 114 CA ASP A 9 12.152 -0.980 6.420 1.00 0.48 C ATOM 115 C ASP A 9 10.673 -0.831 6.104 1.00 0.41 C ATOM 116 O ASP A 9 10.321 -0.232 5.087 1.00 0.41 O ATOM 117 CB ASP A 9 12.551 -0.086 7.593 1.00 0.61 C ATOM 118 CG ASP A 9 13.380 -0.829 8.618 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.482 -2.071 8.523 1.00 1.19 O ATOM 120 OD2 ASP A 9 13.928 -0.180 9.534 1.00 1.53 O ATOM 0 H ASP A 9 13.190 0.334 5.162 1.00 0.44 H new ATOM 0 HA ASP A 9 12.347 -2.014 6.704 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.116 0.769 7.221 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.653 0.308 8.070 1.00 0.61 H new ATOM 125 N PRO A 10 9.786 -1.402 6.933 1.00 0.56 N ATOM 126 CA PRO A 10 8.343 -1.311 6.716 1.00 0.74 C ATOM 127 C PRO A 10 7.882 0.137 6.604 1.00 0.67 C ATOM 128 O PRO A 10 8.242 0.973 7.437 1.00 0.97 O ATOM 129 CB PRO A 10 7.733 -1.972 7.962 1.00 1.05 C ATOM 130 CG PRO A 10 8.848 -2.071 8.948 1.00 1.12 C ATOM 131 CD PRO A 10 10.104 -2.182 8.139 1.00 0.78 C ATOM 0 HA PRO A 10 8.041 -1.792 5.786 1.00 0.74 H new ATOM 0 HB2 PRO A 10 6.910 -1.377 8.359 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.329 -2.957 7.726 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.876 -1.194 9.595 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.722 -2.940 9.594 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.964 -1.773 8.670 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.340 -3.219 7.899 1.00 0.78 H new ATOM 139 N PRO A 11 7.158 0.469 5.520 1.00 0.37 N ATOM 140 CA PRO A 11 6.674 1.826 5.256 1.00 0.38 C ATOM 141 C PRO A 11 6.000 2.443 6.479 1.00 0.28 C ATOM 142 O PRO A 11 5.426 1.735 7.311 1.00 0.35 O ATOM 143 CB PRO A 11 5.661 1.646 4.114 1.00 0.50 C ATOM 144 CG PRO A 11 5.547 0.172 3.887 1.00 0.64 C ATOM 145 CD PRO A 11 6.803 -0.444 4.431 1.00 0.41 C ATOM 0 HA PRO A 11 7.490 2.503 5.003 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.695 2.075 4.379 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.998 2.154 3.211 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.668 -0.231 4.391 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.435 -0.049 2.826 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.634 -1.459 4.791 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.587 -0.500 3.676 1.00 0.41 H new ATOM 153 N GLU A 12 6.103 3.753 6.605 1.00 0.28 N ATOM 154 CA GLU A 12 5.547 4.445 7.749 1.00 0.30 C ATOM 155 C GLU A 12 4.486 5.445 7.311 1.00 0.28 C ATOM 156 O GLU A 12 4.317 5.691 6.121 1.00 0.31 O ATOM 157 CB GLU A 12 6.657 5.150 8.525 1.00 0.47 C ATOM 158 CG GLU A 12 6.622 4.874 10.020 1.00 0.98 C ATOM 159 CD GLU A 12 5.696 5.814 10.760 1.00 1.58 C ATOM 160 OE1 GLU A 12 6.161 6.891 11.198 1.00 2.11 O ATOM 161 OE2 GLU A 12 4.506 5.473 10.928 1.00 2.09 O ATOM 0 H GLU A 12 6.567 4.358 5.928 1.00 0.28 H new ATOM 0 HA GLU A 12 5.073 3.711 8.401 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.623 4.836 8.128 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.579 6.225 8.360 1.00 0.47 H new ATOM 0 HG2 GLU A 12 6.302 3.846 10.189 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.629 4.966 10.427 1.00 0.98 H new ATOM 168 N ASN A 13 3.716 5.929 8.279 1.00 0.33 N ATOM 169 CA ASN A 13 2.602 6.850 8.038 1.00 0.37 C ATOM 170 C ASN A 13 1.570 6.212 7.123 1.00 0.32 C ATOM 171 O ASN A 13 0.879 6.891 6.366 1.00 0.35 O ATOM 172 CB ASN A 13 3.090 8.179 7.446 1.00 0.45 C ATOM 173 CG ASN A 13 2.114 9.317 7.698 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.368 9.310 8.681 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.119 10.310 6.823 1.00 1.01 N ATOM 0 H ASN A 13 3.845 5.694 9.263 1.00 0.33 H new ATOM 0 HA ASN A 13 2.136 7.063 9.000 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.059 8.432 7.877 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.239 8.063 6.373 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.492 11.104 6.950 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.750 10.281 6.022 1.00 1.01 H new ATOM 182 N VAL A 14 1.485 4.894 7.193 1.00 0.30 N ATOM 183 CA VAL A 14 0.560 4.150 6.368 1.00 0.29 C ATOM 184 C VAL A 14 -0.845 4.242 6.938 1.00 0.32 C ATOM 185 O VAL A 14 -1.100 3.800 8.060 1.00 0.47 O ATOM 186 CB VAL A 14 0.969 2.669 6.244 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.460 2.092 4.941 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.477 2.511 6.332 1.00 0.69 C ATOM 0 H VAL A 14 2.050 4.319 7.817 1.00 0.30 H new ATOM 0 HA VAL A 14 0.583 4.593 5.373 1.00 0.29 H new ATOM 0 HB VAL A 14 0.520 2.123 7.074 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.756 1.046 4.866 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.627 2.165 4.911 1.00 0.45 H new ATOM 0 HG13 VAL A 14 0.884 2.649 4.106 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.738 1.457 6.242 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.949 3.072 5.526 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.827 2.891 7.292 1.00 0.69 H new ATOM 198 N VAL A 15 -1.725 4.899 6.211 1.00 0.27 N ATOM 199 CA VAL A 15 -3.084 5.102 6.669 1.00 0.35 C ATOM 200 C VAL A 15 -4.029 5.314 5.491 1.00 0.34 C ATOM 201 O VAL A 15 -3.873 6.251 4.699 1.00 0.39 O ATOM 202 CB VAL A 15 -3.177 6.294 7.657 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.593 7.567 7.058 1.00 1.34 C ATOM 204 CG2 VAL A 15 -4.613 6.520 8.099 1.00 1.48 C ATOM 0 H VAL A 15 -1.522 5.303 5.297 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.388 4.200 7.200 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.582 6.038 8.534 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -2.676 8.380 7.779 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -1.543 7.405 6.813 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -3.141 7.828 6.153 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -4.653 7.361 8.791 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -5.232 6.737 7.228 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -4.986 5.624 8.595 1.00 1.48 H new ATOM 214 N ALA A 16 -5.009 4.431 5.377 1.00 0.35 N ATOM 215 CA ALA A 16 -6.005 4.542 4.331 1.00 0.38 C ATOM 216 C ALA A 16 -7.166 5.390 4.815 1.00 0.36 C ATOM 217 O ALA A 16 -7.715 5.156 5.891 1.00 0.39 O ATOM 218 CB ALA A 16 -6.479 3.167 3.894 1.00 0.45 C ATOM 0 H ALA A 16 -5.133 3.631 5.997 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.557 5.028 3.465 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.227 3.273 3.108 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.633 2.594 3.515 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.918 2.646 4.745 1.00 0.45 H new ATOM 224 N ARG A 17 -7.472 6.423 4.059 1.00 0.37 N ATOM 225 CA ARG A 17 -8.504 7.366 4.436 1.00 0.37 C ATOM 226 C ARG A 17 -9.502 7.535 3.303 1.00 0.35 C ATOM 227 O ARG A 17 -9.126 7.882 2.184 1.00 0.48 O ATOM 228 CB ARG A 17 -7.875 8.709 4.794 1.00 0.50 C ATOM 229 CG ARG A 17 -8.264 9.208 6.172 1.00 1.21 C ATOM 230 CD ARG A 17 -7.465 8.522 7.267 1.00 1.69 C ATOM 231 NE ARG A 17 -8.316 7.709 8.135 1.00 2.32 N ATOM 232 CZ ARG A 17 -8.093 7.500 9.431 1.00 3.06 C ATOM 233 NH1 ARG A 17 -7.036 8.033 10.033 1.00 3.37 N ATOM 234 NH2 ARG A 17 -8.940 6.755 10.127 1.00 3.99 N ATOM 0 H ARG A 17 -7.016 6.632 3.171 1.00 0.37 H new ATOM 0 HA ARG A 17 -9.033 6.981 5.308 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -6.790 8.619 4.741 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.170 9.450 4.051 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -8.105 10.285 6.227 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -9.328 9.034 6.335 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -6.698 7.892 6.816 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -6.949 9.273 7.865 1.00 1.69 H new ATOM 0 HE ARG A 17 -9.138 7.271 7.719 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -6.384 8.610 9.502 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -6.876 7.865 11.026 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -9.755 6.347 9.669 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -8.777 6.590 11.120 1.00 3.99 H new ATOM 248 N PRO A 18 -10.770 7.202 3.555 1.00 0.31 N ATOM 249 CA PRO A 18 -11.819 7.249 2.537 1.00 0.38 C ATOM 250 C PRO A 18 -12.099 8.657 2.033 1.00 0.39 C ATOM 251 O PRO A 18 -12.024 9.629 2.785 1.00 0.46 O ATOM 252 CB PRO A 18 -13.051 6.704 3.254 1.00 0.49 C ATOM 253 CG PRO A 18 -12.759 6.847 4.708 1.00 0.57 C ATOM 254 CD PRO A 18 -11.273 6.695 4.842 1.00 0.43 C ATOM 0 HA PRO A 18 -11.529 6.681 1.653 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.946 7.261 2.976 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.230 5.662 2.990 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.088 7.817 5.080 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.284 6.089 5.289 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.883 7.269 5.682 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.987 5.656 5.006 1.00 0.43 H new ATOM 262 N VAL A 19 -12.478 8.746 0.770 1.00 0.40 N ATOM 263 CA VAL A 19 -12.842 10.019 0.168 1.00 0.45 C ATOM 264 C VAL A 19 -14.358 10.195 0.197 1.00 0.48 C ATOM 265 O VAL A 19 -15.091 9.375 -0.349 1.00 0.47 O ATOM 266 CB VAL A 19 -12.330 10.114 -1.281 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.572 11.501 -1.858 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.854 9.759 -1.332 1.00 0.52 C ATOM 0 H VAL A 19 -12.542 7.948 0.138 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.374 10.815 0.747 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.885 9.402 -1.892 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.200 11.539 -2.882 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.640 11.716 -1.851 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.049 12.243 -1.254 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.498 9.828 -2.360 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.291 10.452 -0.706 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.712 8.742 -0.967 1.00 0.52 H new ATOM 278 N PRO A 20 -14.847 11.215 0.925 1.00 0.58 N ATOM 279 CA PRO A 20 -16.287 11.424 1.146 1.00 0.69 C ATOM 280 C PRO A 20 -17.075 11.659 -0.142 1.00 0.70 C ATOM 281 O PRO A 20 -18.301 11.558 -0.152 1.00 1.27 O ATOM 282 CB PRO A 20 -16.337 12.675 2.030 1.00 0.84 C ATOM 283 CG PRO A 20 -15.006 12.729 2.691 1.00 0.97 C ATOM 284 CD PRO A 20 -14.030 12.170 1.698 1.00 0.67 C ATOM 0 HA PRO A 20 -16.746 10.541 1.590 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.520 13.571 1.437 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -17.140 12.609 2.764 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.745 13.752 2.961 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -15.003 12.146 3.612 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.612 12.950 1.062 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.192 11.677 2.191 1.00 0.67 H new ATOM 292 N SER A 21 -16.383 12.035 -1.207 1.00 0.80 N ATOM 293 CA SER A 21 -17.040 12.351 -2.466 1.00 0.85 C ATOM 294 C SER A 21 -17.183 11.110 -3.349 1.00 0.65 C ATOM 295 O SER A 21 -17.707 11.188 -4.459 1.00 0.69 O ATOM 296 CB SER A 21 -16.245 13.428 -3.197 1.00 1.07 C ATOM 297 OG SER A 21 -14.964 13.595 -2.603 1.00 1.49 O ATOM 0 H SER A 21 -15.367 12.129 -1.224 1.00 0.80 H new ATOM 0 HA SER A 21 -18.043 12.719 -2.248 1.00 0.85 H new ATOM 0 HB2 SER A 21 -16.132 13.155 -4.246 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.790 14.371 -3.170 1.00 1.07 H new ATOM 0 HG SER A 21 -14.467 14.288 -3.086 1.00 1.49 H new ATOM 303 N ASN A 22 -16.671 9.976 -2.876 1.00 0.55 N ATOM 304 CA ASN A 22 -16.704 8.749 -3.651 1.00 0.44 C ATOM 305 C ASN A 22 -16.860 7.525 -2.756 1.00 0.40 C ATOM 306 O ASN A 22 -16.012 7.253 -1.907 1.00 0.43 O ATOM 307 CB ASN A 22 -15.429 8.621 -4.469 1.00 0.57 C ATOM 308 CG ASN A 22 -15.602 7.678 -5.630 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.465 6.464 -5.488 1.00 0.94 O ATOM 310 ND2 ASN A 22 -15.921 8.224 -6.782 1.00 1.28 N ATOM 0 H ASN A 22 -16.230 9.886 -1.961 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.568 8.797 -4.314 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.134 9.603 -4.839 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.621 8.266 -3.829 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -16.065 7.636 -7.603 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -16.025 9.236 -6.855 1.00 1.28 H new ATOM 317 N PRO A 23 -17.922 6.739 -2.978 1.00 0.40 N ATOM 318 CA PRO A 23 -18.205 5.531 -2.191 1.00 0.43 C ATOM 319 C PRO A 23 -17.298 4.355 -2.542 1.00 0.48 C ATOM 320 O PRO A 23 -17.557 3.216 -2.148 1.00 0.98 O ATOM 321 CB PRO A 23 -19.650 5.208 -2.565 1.00 0.56 C ATOM 322 CG PRO A 23 -19.807 5.749 -3.940 1.00 0.70 C ATOM 323 CD PRO A 23 -18.947 6.977 -4.009 1.00 0.48 C ATOM 0 HA PRO A 23 -18.037 5.699 -1.127 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.837 4.135 -2.537 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.353 5.672 -1.873 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.498 5.015 -4.684 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.849 5.992 -4.146 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.502 7.100 -4.996 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.521 7.881 -3.803 1.00 0.48 H new ATOM 331 N ARG A 24 -16.262 4.625 -3.317 1.00 0.31 N ATOM 332 CA ARG A 24 -15.342 3.585 -3.738 1.00 0.27 C ATOM 333 C ARG A 24 -13.901 4.078 -3.713 1.00 0.26 C ATOM 334 O ARG A 24 -12.975 3.298 -3.924 1.00 0.31 O ATOM 335 CB ARG A 24 -15.701 3.102 -5.144 1.00 0.35 C ATOM 336 CG ARG A 24 -16.136 1.648 -5.195 1.00 0.37 C ATOM 337 CD ARG A 24 -17.203 1.426 -6.250 1.00 0.62 C ATOM 338 NE ARG A 24 -18.520 1.202 -5.655 1.00 1.27 N ATOM 339 CZ ARG A 24 -19.489 2.116 -5.615 1.00 2.02 C ATOM 340 NH1 ARG A 24 -19.301 3.321 -6.144 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.647 1.821 -5.043 1.00 2.86 N ATOM 0 H ARG A 24 -16.037 5.556 -3.667 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.430 2.755 -3.036 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.502 3.726 -5.540 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.839 3.238 -5.797 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.274 1.016 -5.409 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.518 1.347 -4.220 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -17.246 2.292 -6.911 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.932 0.568 -6.865 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.709 0.288 -5.244 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -18.410 3.551 -6.584 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -20.047 4.015 -6.109 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.794 0.898 -4.636 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -21.392 2.517 -5.010 1.00 2.86 H new ATOM 355 N ARG A 25 -13.709 5.367 -3.430 1.00 0.23 N ATOM 356 CA ARG A 25 -12.368 5.942 -3.415 1.00 0.26 C ATOM 357 C ARG A 25 -11.744 5.848 -2.035 1.00 0.24 C ATOM 358 O ARG A 25 -12.217 6.453 -1.069 1.00 0.24 O ATOM 359 CB ARG A 25 -12.369 7.397 -3.888 1.00 0.32 C ATOM 360 CG ARG A 25 -11.073 7.803 -4.582 1.00 0.51 C ATOM 361 CD ARG A 25 -10.978 9.310 -4.776 1.00 0.80 C ATOM 362 NE ARG A 25 -9.620 9.810 -4.541 1.00 1.32 N ATOM 363 CZ ARG A 25 -8.961 10.622 -5.375 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.537 11.045 -6.494 1.00 2.14 N ATOM 365 NH2 ARG A 25 -7.721 10.999 -5.091 1.00 2.31 N ATOM 0 H ARG A 25 -14.457 6.025 -3.211 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.767 5.357 -4.112 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.203 7.549 -4.572 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.536 8.051 -3.032 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.223 7.459 -3.993 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.010 7.308 -5.551 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.288 9.565 -5.789 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -11.670 9.807 -4.096 1.00 0.80 H new ATOM 0 HE ARG A 25 -9.147 9.520 -3.685 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.487 10.751 -6.721 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.030 11.664 -7.126 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -7.271 10.670 -4.237 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -7.218 11.618 -5.727 1.00 2.31 H new ATOM 379 N LEU A 26 -10.690 5.064 -1.959 1.00 0.29 N ATOM 380 CA LEU A 26 -9.974 4.844 -0.724 1.00 0.35 C ATOM 381 C LEU A 26 -8.531 5.317 -0.871 1.00 0.39 C ATOM 382 O LEU A 26 -7.738 4.706 -1.594 1.00 0.44 O ATOM 383 CB LEU A 26 -10.027 3.357 -0.372 1.00 0.44 C ATOM 384 CG LEU A 26 -10.433 3.038 1.070 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.126 1.593 1.402 1.00 0.46 C ATOM 386 CD2 LEU A 26 -9.739 3.967 2.055 1.00 0.43 C ATOM 0 H LEU A 26 -10.305 4.559 -2.757 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.438 5.414 0.081 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -10.729 2.866 -1.046 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -9.046 2.921 -0.560 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.508 3.196 1.157 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.421 1.385 2.430 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.678 0.939 0.727 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.057 1.413 1.288 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -10.047 3.716 3.070 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -8.659 3.852 1.965 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.013 4.999 1.837 1.00 0.43 H new ATOM 398 N GLU A 27 -8.219 6.447 -0.248 1.00 0.41 N ATOM 399 CA GLU A 27 -6.895 7.033 -0.353 1.00 0.47 C ATOM 400 C GLU A 27 -5.920 6.337 0.586 1.00 0.41 C ATOM 401 O GLU A 27 -5.970 6.510 1.804 1.00 0.48 O ATOM 402 CB GLU A 27 -6.943 8.528 -0.052 1.00 0.51 C ATOM 403 CG GLU A 27 -6.039 9.350 -0.950 1.00 0.99 C ATOM 404 CD GLU A 27 -6.704 9.744 -2.252 1.00 1.26 C ATOM 405 OE1 GLU A 27 -7.932 9.584 -2.379 1.00 1.63 O ATOM 406 OE2 GLU A 27 -5.999 10.236 -3.154 1.00 1.82 O ATOM 0 H GLU A 27 -8.869 6.974 0.336 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.545 6.896 -1.376 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.969 8.881 -0.160 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.657 8.692 0.987 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.729 10.250 -0.419 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.135 8.780 -1.167 1.00 0.99 H new ATOM 413 N VAL A 28 -5.047 5.541 0.003 1.00 0.40 N ATOM 414 CA VAL A 28 -4.052 4.790 0.746 1.00 0.38 C ATOM 415 C VAL A 28 -2.753 5.580 0.832 1.00 0.35 C ATOM 416 O VAL A 28 -1.900 5.482 -0.045 1.00 0.42 O ATOM 417 CB VAL A 28 -3.785 3.437 0.057 1.00 0.49 C ATOM 418 CG1 VAL A 28 -2.843 2.577 0.876 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.087 2.705 -0.199 1.00 0.68 C ATOM 0 H VAL A 28 -5.007 5.395 -1.006 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.432 4.613 1.752 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.304 3.639 -0.900 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.675 1.630 0.363 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -1.892 3.096 1.000 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.283 2.386 1.855 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.879 1.752 -0.686 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.596 2.525 0.748 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -5.724 3.310 -0.844 1.00 0.68 H new ATOM 429 N THR A 29 -2.654 6.439 1.825 1.00 0.31 N ATOM 430 CA THR A 29 -1.503 7.313 1.954 1.00 0.30 C ATOM 431 C THR A 29 -0.454 6.715 2.887 1.00 0.28 C ATOM 432 O THR A 29 -0.797 6.082 3.888 1.00 0.31 O ATOM 433 CB THR A 29 -1.932 8.686 2.492 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.252 8.594 3.053 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.918 9.732 1.386 1.00 0.59 C ATOM 0 H THR A 29 -3.356 6.552 2.556 1.00 0.31 H new ATOM 0 HA THR A 29 -1.065 7.427 0.962 1.00 0.30 H new ATOM 0 HB THR A 29 -1.224 8.990 3.263 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.523 9.471 3.397 1.00 0.69 H new ATOM 0 HG21 THR A 29 -2.226 10.695 1.792 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.911 9.815 0.977 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.607 9.435 0.596 1.00 0.59 H new ATOM 443 N TRP A 30 0.816 6.942 2.569 1.00 0.27 N ATOM 444 CA TRP A 30 1.913 6.484 3.408 1.00 0.28 C ATOM 445 C TRP A 30 3.180 7.280 3.119 1.00 0.27 C ATOM 446 O TRP A 30 3.184 8.194 2.293 1.00 0.33 O ATOM 447 CB TRP A 30 2.170 4.978 3.215 1.00 0.29 C ATOM 448 CG TRP A 30 2.710 4.602 1.862 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.007 4.683 1.437 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.967 4.062 0.766 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.107 4.246 0.139 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.869 3.854 -0.293 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.623 3.737 0.576 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.470 3.338 -1.522 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.230 3.225 -0.643 1.00 0.49 C ATOM 456 CH2 TRP A 30 1.150 3.029 -1.677 1.00 0.46 C ATOM 0 H TRP A 30 1.110 7.444 1.731 1.00 0.27 H new ATOM 0 HA TRP A 30 1.628 6.648 4.447 1.00 0.28 H new ATOM 0 HB2 TRP A 30 2.872 4.642 3.978 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.237 4.440 3.382 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.833 5.039 2.035 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.964 4.218 -0.413 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.096 3.884 1.369 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 3.178 3.188 -2.323 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.808 2.971 -0.801 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.809 2.624 -2.618 1.00 0.46 H new ATOM 467 N GLN A 31 4.250 6.903 3.788 1.00 0.28 N ATOM 468 CA GLN A 31 5.554 7.508 3.606 1.00 0.29 C ATOM 469 C GLN A 31 6.610 6.415 3.707 1.00 0.29 C ATOM 470 O GLN A 31 6.310 5.295 4.129 1.00 0.29 O ATOM 471 CB GLN A 31 5.792 8.578 4.678 1.00 0.32 C ATOM 472 CG GLN A 31 6.502 9.835 4.186 1.00 0.64 C ATOM 473 CD GLN A 31 6.700 9.874 2.682 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.675 9.332 2.159 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.780 10.514 1.979 1.00 0.79 N ATOM 0 H GLN A 31 4.238 6.157 4.484 1.00 0.28 H new ATOM 0 HA GLN A 31 5.610 7.988 2.629 1.00 0.29 H new ATOM 0 HB2 GLN A 31 4.830 8.865 5.104 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.379 8.139 5.484 1.00 0.32 H new ATOM 0 HG2 GLN A 31 5.927 10.709 4.491 1.00 0.64 H new ATOM 0 HG3 GLN A 31 7.474 9.907 4.674 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.988 10.949 2.452 1.00 0.79 H new ATOM 0 HE22 GLN A 31 5.863 10.572 0.964 1.00 0.79 H new ATOM 484 N THR A 32 7.844 6.733 3.361 1.00 0.34 N ATOM 485 CA THR A 32 8.923 5.771 3.486 1.00 0.36 C ATOM 486 C THR A 32 9.243 5.540 4.962 1.00 0.41 C ATOM 487 O THR A 32 8.913 6.373 5.810 1.00 0.49 O ATOM 488 CB THR A 32 10.188 6.255 2.751 1.00 0.42 C ATOM 489 OG1 THR A 32 10.306 7.679 2.872 1.00 0.49 O ATOM 490 CG2 THR A 32 10.138 5.876 1.281 1.00 0.49 C ATOM 0 H THR A 32 8.123 7.643 2.994 1.00 0.34 H new ATOM 0 HA THR A 32 8.598 4.836 3.030 1.00 0.36 H new ATOM 0 HB THR A 32 11.053 5.773 3.207 1.00 0.42 H new ATOM 0 HG1 THR A 32 9.857 8.110 2.115 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.042 6.228 0.783 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.071 4.792 1.187 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.265 6.335 0.816 1.00 0.49 H new ATOM 498 N PRO A 33 9.895 4.418 5.296 1.00 0.39 N ATOM 499 CA PRO A 33 10.294 4.125 6.677 1.00 0.46 C ATOM 500 C PRO A 33 11.231 5.199 7.222 1.00 0.56 C ATOM 501 O PRO A 33 11.967 5.825 6.458 1.00 0.60 O ATOM 502 CB PRO A 33 11.033 2.786 6.556 1.00 0.46 C ATOM 503 CG PRO A 33 11.454 2.714 5.125 1.00 0.42 C ATOM 504 CD PRO A 33 10.348 3.375 4.361 1.00 0.35 C ATOM 0 HA PRO A 33 9.445 4.093 7.360 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.893 2.746 7.224 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.385 1.951 6.821 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.403 3.226 4.967 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.592 1.681 4.806 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.701 3.798 3.421 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.549 2.675 4.116 1.00 0.35 H new ATOM 512 N SER A 34 11.195 5.426 8.527 1.00 0.66 N ATOM 513 CA SER A 34 12.022 6.455 9.149 1.00 0.80 C ATOM 514 C SER A 34 13.510 6.167 8.946 1.00 0.86 C ATOM 515 O SER A 34 14.336 7.080 8.938 1.00 0.96 O ATOM 516 CB SER A 34 11.689 6.542 10.637 1.00 0.92 C ATOM 517 OG SER A 34 10.478 5.851 10.918 1.00 1.02 O ATOM 0 H SER A 34 10.602 4.912 9.178 1.00 0.66 H new ATOM 0 HA SER A 34 11.806 7.412 8.674 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.503 6.115 11.223 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.596 7.587 10.934 1.00 0.92 H new ATOM 0 HG SER A 34 10.676 4.912 11.118 1.00 1.02 H new ATOM 523 N THR A 35 13.839 4.896 8.758 1.00 0.82 N ATOM 524 CA THR A 35 15.212 4.473 8.540 1.00 0.91 C ATOM 525 C THR A 35 15.705 4.855 7.141 1.00 0.92 C ATOM 526 O THR A 35 16.905 5.049 6.926 1.00 1.11 O ATOM 527 CB THR A 35 15.333 2.952 8.732 1.00 0.89 C ATOM 528 OG1 THR A 35 14.068 2.421 9.164 1.00 0.85 O ATOM 529 CG2 THR A 35 16.407 2.617 9.755 1.00 1.08 C ATOM 0 H THR A 35 13.162 4.133 8.753 1.00 0.82 H new ATOM 0 HA THR A 35 15.836 4.987 9.272 1.00 0.91 H new ATOM 0 HB THR A 35 15.616 2.503 7.780 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.125 1.444 9.219 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.473 1.535 9.873 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.367 3.004 9.414 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.152 3.071 10.712 1.00 1.08 H new ATOM 537 N TRP A 36 14.773 4.990 6.199 1.00 0.80 N ATOM 538 CA TRP A 36 15.115 5.389 4.837 1.00 0.83 C ATOM 539 C TRP A 36 15.526 6.858 4.791 1.00 1.00 C ATOM 540 O TRP A 36 14.841 7.720 5.339 1.00 1.09 O ATOM 541 CB TRP A 36 13.931 5.154 3.892 1.00 0.74 C ATOM 542 CG TRP A 36 14.334 5.041 2.454 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.351 6.041 1.524 1.00 0.86 C ATOM 544 CD2 TRP A 36 14.790 3.862 1.783 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.781 5.553 0.313 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.057 4.219 0.446 1.00 0.98 C ATOM 547 CE3 TRP A 36 14.994 2.542 2.180 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.518 3.298 -0.492 1.00 1.14 C ATOM 549 CZ3 TRP A 36 15.453 1.632 1.250 1.00 1.14 C ATOM 550 CH2 TRP A 36 15.711 2.013 -0.072 1.00 1.21 C ATOM 0 H TRP A 36 13.778 4.829 6.354 1.00 0.80 H new ATOM 0 HA TRP A 36 15.956 4.778 4.510 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.413 4.242 4.190 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.221 5.974 4.000 1.00 0.74 H new ATOM 0 HD1 TRP A 36 14.068 7.066 1.713 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.878 6.096 -0.545 1.00 0.97 H new ATOM 0 HE3 TRP A 36 14.796 2.237 3.197 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 15.715 3.589 -1.513 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 15.616 0.607 1.548 1.00 1.14 H new ATOM 0 HH2 TRP A 36 16.070 1.275 -0.774 1.00 1.21 H new ATOM 561 N PRO A 37 16.666 7.153 4.152 1.00 1.20 N ATOM 562 CA PRO A 37 17.178 8.519 4.036 1.00 1.44 C ATOM 563 C PRO A 37 16.417 9.336 2.986 1.00 1.34 C ATOM 564 O PRO A 37 15.278 9.739 3.216 1.00 1.49 O ATOM 565 CB PRO A 37 18.636 8.303 3.628 1.00 1.76 C ATOM 566 CG PRO A 37 18.627 7.016 2.876 1.00 1.78 C ATOM 567 CD PRO A 37 17.565 6.169 3.519 1.00 1.34 C ATOM 0 HA PRO A 37 17.065 9.091 4.957 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.000 9.122 3.008 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.288 8.249 4.500 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.408 7.182 1.821 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.600 6.527 2.927 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.038 5.561 2.783 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.989 5.484 4.253 1.00 1.34 H new ATOM 575 N ASP A 38 17.039 9.571 1.836 1.00 1.33 N ATOM 576 CA ASP A 38 16.406 10.324 0.757 1.00 1.35 C ATOM 577 C ASP A 38 15.671 9.385 -0.200 1.00 1.29 C ATOM 578 O ASP A 38 16.302 8.603 -0.912 1.00 1.42 O ATOM 579 CB ASP A 38 17.455 11.136 -0.001 1.00 1.65 C ATOM 580 CG ASP A 38 16.839 12.203 -0.878 1.00 1.90 C ATOM 581 OD1 ASP A 38 16.193 11.849 -1.887 1.00 2.16 O ATOM 582 OD2 ASP A 38 16.977 13.398 -0.556 1.00 2.28 O ATOM 0 H ASP A 38 17.984 9.250 1.626 1.00 1.33 H new ATOM 0 HA ASP A 38 15.677 11.006 1.194 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.133 11.604 0.713 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.054 10.465 -0.617 1.00 1.65 H new ATOM 587 N PRO A 39 14.326 9.403 -0.182 1.00 1.31 N ATOM 588 CA PRO A 39 13.507 8.495 -0.997 1.00 1.44 C ATOM 589 C PRO A 39 13.398 8.922 -2.459 1.00 1.61 C ATOM 590 O PRO A 39 12.886 8.174 -3.294 1.00 1.84 O ATOM 591 CB PRO A 39 12.138 8.561 -0.323 1.00 1.62 C ATOM 592 CG PRO A 39 12.085 9.910 0.301 1.00 1.69 C ATOM 593 CD PRO A 39 13.497 10.243 0.704 1.00 1.44 C ATOM 0 HA PRO A 39 13.943 7.497 -1.038 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.334 8.428 -1.047 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.027 7.775 0.424 1.00 1.62 H new ATOM 0 HG2 PRO A 39 11.696 10.648 -0.400 1.00 1.69 H new ATOM 0 HG3 PRO A 39 11.422 9.913 1.166 1.00 1.69 H new ATOM 0 HD2 PRO A 39 13.712 11.303 0.567 1.00 1.44 H new ATOM 0 HD3 PRO A 39 13.677 10.015 1.755 1.00 1.44 H new ATOM 601 N GLU A 40 13.890 10.113 -2.771 1.00 1.57 N ATOM 602 CA GLU A 40 13.856 10.606 -4.140 1.00 1.76 C ATOM 603 C GLU A 40 15.152 10.254 -4.857 1.00 1.76 C ATOM 604 O GLU A 40 15.133 9.700 -5.958 1.00 1.90 O ATOM 605 CB GLU A 40 13.627 12.117 -4.165 1.00 1.90 C ATOM 606 CG GLU A 40 12.194 12.509 -4.483 1.00 2.12 C ATOM 607 CD GLU A 40 11.503 13.156 -3.303 1.00 2.36 C ATOM 608 OE1 GLU A 40 11.348 12.488 -2.260 1.00 2.91 O ATOM 609 OE2 GLU A 40 11.133 14.342 -3.401 1.00 2.63 O ATOM 0 H GLU A 40 14.315 10.752 -2.099 1.00 1.57 H new ATOM 0 HA GLU A 40 13.026 10.127 -4.659 1.00 1.76 H new ATOM 0 HB2 GLU A 40 13.903 12.534 -3.196 1.00 1.90 H new ATOM 0 HB3 GLU A 40 14.290 12.565 -4.905 1.00 1.90 H new ATOM 0 HG2 GLU A 40 12.186 13.197 -5.328 1.00 2.12 H new ATOM 0 HG3 GLU A 40 11.636 11.624 -4.788 1.00 2.12 H new ATOM 616 N SER A 41 16.272 10.510 -4.194 1.00 1.67 N ATOM 617 CA SER A 41 17.581 10.164 -4.733 1.00 1.75 C ATOM 618 C SER A 41 17.777 8.652 -4.715 1.00 1.63 C ATOM 619 O SER A 41 18.337 8.078 -5.649 1.00 1.67 O ATOM 620 CB SER A 41 18.683 10.851 -3.930 1.00 1.82 C ATOM 621 OG SER A 41 18.321 12.184 -3.606 1.00 1.89 O ATOM 0 H SER A 41 16.300 10.958 -3.278 1.00 1.67 H new ATOM 0 HA SER A 41 17.636 10.510 -5.765 1.00 1.75 H new ATOM 0 HB2 SER A 41 18.875 10.290 -3.015 1.00 1.82 H new ATOM 0 HB3 SER A 41 19.610 10.851 -4.504 1.00 1.82 H new ATOM 0 HG SER A 41 19.042 12.603 -3.090 1.00 1.89 H new ATOM 627 N PHE A 42 17.193 8.009 -3.711 1.00 1.51 N ATOM 628 CA PHE A 42 17.169 6.555 -3.638 1.00 1.41 C ATOM 629 C PHE A 42 15.728 6.075 -3.744 1.00 1.27 C ATOM 630 O PHE A 42 15.024 5.973 -2.737 1.00 1.40 O ATOM 631 CB PHE A 42 17.796 6.066 -2.329 1.00 1.58 C ATOM 632 CG PHE A 42 18.854 5.019 -2.523 1.00 2.08 C ATOM 633 CD1 PHE A 42 20.066 5.343 -3.112 1.00 2.54 C ATOM 634 CD2 PHE A 42 18.639 3.713 -2.116 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.041 4.384 -3.294 1.00 3.12 C ATOM 636 CE2 PHE A 42 19.611 2.750 -2.294 1.00 3.01 C ATOM 637 CZ PHE A 42 20.810 3.080 -2.881 1.00 3.32 C ATOM 0 H PHE A 42 16.728 8.476 -2.933 1.00 1.51 H new ATOM 0 HA PHE A 42 17.753 6.146 -4.463 1.00 1.41 H new ATOM 0 HB2 PHE A 42 18.231 6.917 -1.804 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.011 5.663 -1.688 1.00 1.58 H new ATOM 0 HD1 PHE A 42 20.249 6.358 -3.432 1.00 2.54 H new ATOM 0 HD2 PHE A 42 17.700 3.445 -1.654 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.981 4.648 -3.756 1.00 3.12 H new ATOM 0 HE2 PHE A 42 19.430 1.735 -1.972 1.00 3.01 H new ATOM 0 HZ PHE A 42 21.570 2.326 -3.020 1.00 3.32 H new ATOM 647 N PRO A 43 15.228 5.915 -4.981 1.00 1.24 N ATOM 648 CA PRO A 43 13.824 5.583 -5.235 1.00 1.33 C ATOM 649 C PRO A 43 13.427 4.229 -4.665 1.00 1.26 C ATOM 650 O PRO A 43 13.941 3.189 -5.084 1.00 1.97 O ATOM 651 CB PRO A 43 13.723 5.568 -6.764 1.00 1.58 C ATOM 652 CG PRO A 43 14.872 6.387 -7.230 1.00 1.75 C ATOM 653 CD PRO A 43 15.965 6.148 -6.234 1.00 1.40 C ATOM 0 HA PRO A 43 13.153 6.297 -4.757 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.778 4.552 -7.154 1.00 1.58 H new ATOM 0 HB3 PRO A 43 12.776 5.988 -7.102 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.183 6.092 -8.232 1.00 1.75 H new ATOM 0 HG3 PRO A 43 14.608 7.443 -7.276 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.579 5.289 -6.507 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.634 7.005 -6.155 1.00 1.40 H new ATOM 661 N LEU A 44 12.478 4.249 -3.744 1.00 0.98 N ATOM 662 CA LEU A 44 11.958 3.030 -3.151 1.00 0.82 C ATOM 663 C LEU A 44 10.760 2.529 -3.951 1.00 0.78 C ATOM 664 O LEU A 44 9.826 3.284 -4.215 1.00 0.98 O ATOM 665 CB LEU A 44 11.536 3.288 -1.700 1.00 0.83 C ATOM 666 CG LEU A 44 12.015 2.257 -0.675 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.512 2.613 0.714 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.550 0.862 -1.057 1.00 1.29 C ATOM 0 H LEU A 44 12.050 5.104 -3.389 1.00 0.98 H new ATOM 0 HA LEU A 44 12.741 2.272 -3.166 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.907 4.269 -1.402 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.448 3.334 -1.660 1.00 0.83 H new ATOM 0 HG LEU A 44 13.105 2.269 -0.667 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.862 1.869 1.430 1.00 1.54 H new ATOM 0 HD12 LEU A 44 11.890 3.595 0.997 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.422 2.630 0.713 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.902 0.145 -0.315 1.00 1.29 H new ATOM 0 HD22 LEU A 44 10.461 0.839 -1.096 1.00 1.29 H new ATOM 0 HD23 LEU A 44 11.953 0.599 -2.035 1.00 1.29 H new ATOM 680 N LYS A 45 10.770 1.247 -4.284 1.00 0.70 N ATOM 681 CA LYS A 45 9.648 0.637 -4.980 1.00 0.68 C ATOM 682 C LYS A 45 8.703 0.000 -3.971 1.00 0.60 C ATOM 683 O LYS A 45 9.123 -0.802 -3.136 1.00 0.76 O ATOM 684 CB LYS A 45 10.139 -0.408 -5.985 1.00 0.78 C ATOM 685 CG LYS A 45 10.453 0.170 -7.355 1.00 1.13 C ATOM 686 CD LYS A 45 10.577 -0.915 -8.414 1.00 1.25 C ATOM 687 CE LYS A 45 10.239 -0.380 -9.798 1.00 1.41 C ATOM 688 NZ LYS A 45 11.454 -0.159 -10.629 1.00 1.75 N ATOM 0 H LYS A 45 11.541 0.610 -4.084 1.00 0.70 H new ATOM 0 HA LYS A 45 9.113 1.411 -5.530 1.00 0.68 H new ATOM 0 HB2 LYS A 45 11.033 -0.890 -5.589 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.380 -1.183 -6.092 1.00 0.78 H new ATOM 0 HG2 LYS A 45 9.668 0.870 -7.642 1.00 1.13 H new ATOM 0 HG3 LYS A 45 11.383 0.737 -7.305 1.00 1.13 H new ATOM 0 HD2 LYS A 45 11.592 -1.312 -8.413 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.911 -1.742 -8.169 1.00 1.25 H new ATOM 0 HE2 LYS A 45 9.577 -1.082 -10.305 1.00 1.41 H new ATOM 0 HE3 LYS A 45 9.693 0.558 -9.699 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 11.250 0.552 -11.360 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 12.231 0.179 -10.025 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 11.732 -1.053 -11.083 1.00 1.75 H new ATOM 702 N PHE A 46 7.450 0.415 -4.001 1.00 0.46 N ATOM 703 CA PHE A 46 6.460 -0.075 -3.059 1.00 0.41 C ATOM 704 C PHE A 46 5.545 -1.085 -3.731 1.00 0.44 C ATOM 705 O PHE A 46 5.285 -1.002 -4.930 1.00 0.58 O ATOM 706 CB PHE A 46 5.639 1.086 -2.494 1.00 0.42 C ATOM 707 CG PHE A 46 6.377 1.899 -1.469 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.417 1.498 -0.145 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.031 3.066 -1.832 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.094 2.244 0.800 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.710 3.816 -0.892 1.00 0.48 C ATOM 712 CZ PHE A 46 7.744 3.402 0.427 1.00 0.47 C ATOM 0 H PHE A 46 7.092 1.095 -4.672 1.00 0.46 H new ATOM 0 HA PHE A 46 6.980 -0.567 -2.237 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.335 1.738 -3.313 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.727 0.691 -2.045 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.913 0.591 0.153 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.009 3.392 -2.861 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.114 1.921 1.830 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.214 4.725 -1.187 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.278 3.984 1.163 1.00 0.47 H new ATOM 722 N PHE A 47 5.064 -2.039 -2.957 1.00 0.40 N ATOM 723 CA PHE A 47 4.176 -3.065 -3.479 1.00 0.44 C ATOM 724 C PHE A 47 2.909 -3.122 -2.643 1.00 0.39 C ATOM 725 O PHE A 47 2.961 -2.983 -1.422 1.00 0.59 O ATOM 726 CB PHE A 47 4.880 -4.422 -3.495 1.00 0.55 C ATOM 727 CG PHE A 47 6.112 -4.432 -4.352 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.027 -4.727 -5.702 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.357 -4.158 -3.807 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.158 -4.750 -6.492 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.493 -4.182 -4.593 1.00 0.75 C ATOM 732 CZ PHE A 47 8.393 -4.421 -5.938 1.00 0.73 C ATOM 0 H PHE A 47 5.273 -2.127 -1.962 1.00 0.40 H new ATOM 0 HA PHE A 47 3.905 -2.815 -4.505 1.00 0.44 H new ATOM 0 HB2 PHE A 47 5.151 -4.697 -2.476 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.186 -5.181 -3.856 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.064 -4.942 -6.142 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.440 -3.923 -2.756 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.086 -5.022 -7.535 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.461 -4.012 -4.146 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.269 -4.355 -6.567 1.00 0.73 H new ATOM 742 N LEU A 48 1.771 -3.159 -3.313 1.00 0.33 N ATOM 743 CA LEU A 48 0.493 -3.046 -2.638 1.00 0.35 C ATOM 744 C LEU A 48 -0.442 -4.193 -3.002 1.00 0.35 C ATOM 745 O LEU A 48 -0.525 -4.603 -4.160 1.00 0.57 O ATOM 746 CB LEU A 48 -0.158 -1.709 -3.008 1.00 0.44 C ATOM 747 CG LEU A 48 -1.361 -1.303 -2.159 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.248 0.154 -1.749 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.651 -1.544 -2.921 1.00 1.05 C ATOM 0 H LEU A 48 1.707 -3.267 -4.325 1.00 0.33 H new ATOM 0 HA LEU A 48 0.671 -3.094 -1.564 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.596 -0.926 -2.935 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.471 -1.754 -4.051 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.375 -1.916 -1.257 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.112 0.430 -1.144 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.337 0.299 -1.168 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.213 0.781 -2.640 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.499 -1.250 -2.303 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.648 -0.954 -3.837 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.734 -2.602 -3.171 1.00 1.05 H new ATOM 761 N ARG A 49 -1.216 -4.630 -2.020 1.00 0.26 N ATOM 762 CA ARG A 49 -2.252 -5.632 -2.225 1.00 0.27 C ATOM 763 C ARG A 49 -3.435 -5.315 -1.321 1.00 0.24 C ATOM 764 O ARG A 49 -3.261 -5.103 -0.124 1.00 0.30 O ATOM 765 CB ARG A 49 -1.730 -7.042 -1.924 1.00 0.34 C ATOM 766 CG ARG A 49 -0.624 -7.072 -0.880 1.00 0.44 C ATOM 767 CD ARG A 49 -0.183 -8.489 -0.567 1.00 0.75 C ATOM 768 NE ARG A 49 -0.047 -9.306 -1.772 1.00 1.07 N ATOM 769 CZ ARG A 49 0.191 -10.614 -1.753 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.381 -11.238 -0.596 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.242 -11.297 -2.887 1.00 2.02 N ATOM 0 H ARG A 49 -1.144 -4.300 -1.058 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.561 -5.606 -3.270 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.559 -7.662 -1.581 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.359 -7.488 -2.847 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.230 -6.496 -1.238 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -0.973 -6.590 0.033 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.770 -8.462 -0.039 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -0.906 -8.953 0.104 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.140 -8.847 -2.678 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.344 -10.714 0.278 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.564 -12.241 -0.582 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.099 -10.819 -3.777 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.425 -12.300 -2.870 1.00 2.02 H new ATOM 785 N TYR A 50 -4.626 -5.257 -1.891 1.00 0.26 N ATOM 786 CA TYR A 50 -5.818 -4.955 -1.112 1.00 0.27 C ATOM 787 C TYR A 50 -6.848 -6.062 -1.264 1.00 0.28 C ATOM 788 O TYR A 50 -7.362 -6.307 -2.354 1.00 0.36 O ATOM 789 CB TYR A 50 -6.422 -3.597 -1.503 1.00 0.35 C ATOM 790 CG TYR A 50 -6.605 -3.378 -2.993 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.528 -3.049 -3.806 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.859 -3.486 -3.580 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.695 -2.834 -5.159 1.00 0.90 C ATOM 794 CE2 TYR A 50 -8.035 -3.270 -4.931 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.952 -2.947 -5.717 1.00 0.90 C ATOM 796 OH TYR A 50 -7.130 -2.727 -7.064 1.00 1.13 O ATOM 0 H TYR A 50 -4.795 -5.414 -2.885 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.521 -4.893 -0.065 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.391 -3.494 -1.015 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.782 -2.806 -1.111 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.543 -2.960 -3.372 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.711 -3.744 -2.968 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.847 -2.579 -5.777 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -9.018 -3.354 -5.370 1.00 0.79 H new ATOM 0 HH TYR A 50 -8.075 -2.849 -7.293 1.00 1.13 H new ATOM 806 N ARG A 51 -7.047 -6.804 -0.190 1.00 0.29 N ATOM 807 CA ARG A 51 -7.971 -7.930 -0.190 1.00 0.34 C ATOM 808 C ARG A 51 -9.357 -7.508 0.285 1.00 0.29 C ATOM 809 O ARG A 51 -9.575 -7.308 1.479 1.00 0.33 O ATOM 810 CB ARG A 51 -7.431 -9.049 0.698 1.00 0.46 C ATOM 811 CG ARG A 51 -8.021 -10.409 0.391 1.00 0.64 C ATOM 812 CD ARG A 51 -7.053 -11.522 0.745 1.00 1.25 C ATOM 813 NE ARG A 51 -7.443 -12.217 1.969 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.582 -12.790 2.805 1.00 2.29 C ATOM 815 NH1 ARG A 51 -5.283 -12.782 2.529 1.00 2.62 N ATOM 816 NH2 ARG A 51 -7.021 -13.378 3.911 1.00 3.10 N ATOM 0 H ARG A 51 -6.578 -6.647 0.702 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.061 -8.293 -1.214 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.348 -9.099 0.586 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.632 -8.803 1.740 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -8.948 -10.540 0.948 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.274 -10.467 -0.668 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.005 -12.236 -0.077 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -6.052 -11.107 0.867 1.00 1.25 H new ATOM 0 HE ARG A 51 -8.436 -12.266 2.196 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -4.946 -12.336 1.676 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -4.623 -13.221 3.170 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -8.019 -13.391 4.120 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -6.360 -13.817 4.552 1.00 3.10 H new ATOM 830 N PRO A 52 -10.320 -7.384 -0.640 1.00 0.32 N ATOM 831 CA PRO A 52 -11.701 -7.047 -0.298 1.00 0.38 C ATOM 832 C PRO A 52 -12.356 -8.150 0.521 1.00 0.44 C ATOM 833 O PRO A 52 -12.207 -9.333 0.210 1.00 0.51 O ATOM 834 CB PRO A 52 -12.396 -6.917 -1.656 1.00 0.52 C ATOM 835 CG PRO A 52 -11.544 -7.686 -2.603 1.00 0.65 C ATOM 836 CD PRO A 52 -10.138 -7.565 -2.089 1.00 0.45 C ATOM 0 HA PRO A 52 -11.764 -6.143 0.307 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.408 -7.319 -1.621 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.478 -5.873 -1.958 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -11.854 -8.730 -2.647 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -11.625 -7.286 -3.614 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.550 -8.456 -2.312 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.617 -6.719 -2.538 1.00 0.45 H new ATOM 844 N LEU A 53 -13.072 -7.766 1.569 1.00 0.50 N ATOM 845 CA LEU A 53 -13.710 -8.731 2.461 1.00 0.65 C ATOM 846 C LEU A 53 -14.869 -9.460 1.776 1.00 0.81 C ATOM 847 O LEU A 53 -15.492 -10.344 2.365 1.00 1.22 O ATOM 848 CB LEU A 53 -14.214 -8.028 3.725 1.00 0.70 C ATOM 849 CG LEU A 53 -13.606 -8.522 5.041 1.00 0.82 C ATOM 850 CD1 LEU A 53 -12.099 -8.685 4.916 1.00 1.32 C ATOM 851 CD2 LEU A 53 -13.943 -7.561 6.169 1.00 1.40 C ATOM 0 H LEU A 53 -13.227 -6.791 1.825 1.00 0.50 H new ATOM 0 HA LEU A 53 -12.960 -9.474 2.730 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -14.014 -6.961 3.630 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -15.296 -8.146 3.778 1.00 0.70 H new ATOM 0 HG LEU A 53 -14.034 -9.498 5.270 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -11.691 -9.037 5.864 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -11.875 -9.410 4.133 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.649 -7.725 4.661 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -13.505 -7.924 7.099 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.541 -6.574 5.939 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -15.025 -7.495 6.279 1.00 1.40 H new ATOM 863 N ILE A 54 -15.151 -9.094 0.531 1.00 0.85 N ATOM 864 CA ILE A 54 -16.224 -9.727 -0.228 1.00 1.01 C ATOM 865 C ILE A 54 -15.669 -10.578 -1.372 1.00 1.08 C ATOM 866 O ILE A 54 -16.423 -11.087 -2.200 1.00 1.34 O ATOM 867 CB ILE A 54 -17.205 -8.685 -0.806 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.473 -7.387 -1.157 1.00 1.12 C ATOM 869 CG2 ILE A 54 -18.327 -8.412 0.184 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.813 -6.854 -2.531 1.00 1.46 C ATOM 0 H ILE A 54 -14.652 -8.362 0.025 1.00 0.85 H new ATOM 0 HA ILE A 54 -16.761 -10.369 0.471 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.637 -9.090 -1.721 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.716 -6.629 -0.412 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.398 -7.558 -1.098 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -19.012 -7.675 -0.236 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -18.868 -9.337 0.385 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -17.907 -8.028 1.113 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.258 -5.933 -2.712 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.544 -7.594 -3.285 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.882 -6.650 -2.588 1.00 1.46 H new ATOM 882 N LEU A 55 -14.349 -10.726 -1.420 1.00 0.95 N ATOM 883 CA LEU A 55 -13.714 -11.526 -2.465 1.00 1.10 C ATOM 884 C LEU A 55 -12.590 -12.374 -1.878 1.00 1.12 C ATOM 885 O LEU A 55 -12.439 -13.549 -2.219 1.00 1.51 O ATOM 886 CB LEU A 55 -13.180 -10.618 -3.576 1.00 1.25 C ATOM 887 CG LEU A 55 -12.232 -11.282 -4.577 1.00 1.48 C ATOM 888 CD1 LEU A 55 -13.009 -11.867 -5.746 1.00 1.69 C ATOM 889 CD2 LEU A 55 -11.200 -10.279 -5.068 1.00 2.11 C ATOM 0 H LEU A 55 -13.701 -10.306 -0.753 1.00 0.95 H new ATOM 0 HA LEU A 55 -14.460 -12.196 -2.894 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -14.028 -10.208 -4.124 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.662 -9.777 -3.115 1.00 1.25 H new ATOM 0 HG LEU A 55 -11.712 -12.097 -4.074 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -12.316 -12.334 -6.446 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -13.712 -12.614 -5.378 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -13.556 -11.072 -6.253 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -10.531 -10.764 -5.780 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -11.706 -9.445 -5.555 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -10.622 -9.908 -4.222 1.00 2.11 H new ATOM 901 N ASP A 56 -11.835 -11.771 -0.963 1.00 1.38 N ATOM 902 CA ASP A 56 -10.749 -12.447 -0.256 1.00 1.54 C ATOM 903 C ASP A 56 -9.684 -12.965 -1.217 1.00 1.19 C ATOM 904 O ASP A 56 -9.141 -14.054 -1.033 1.00 1.44 O ATOM 905 CB ASP A 56 -11.286 -13.589 0.613 1.00 2.08 C ATOM 906 CG ASP A 56 -10.503 -13.751 1.901 1.00 2.58 C ATOM 907 OD1 ASP A 56 -10.078 -12.725 2.478 1.00 2.90 O ATOM 908 OD2 ASP A 56 -10.305 -14.902 2.346 1.00 2.89 O ATOM 0 H ASP A 56 -11.959 -10.796 -0.690 1.00 1.38 H new ATOM 0 HA ASP A 56 -10.280 -11.708 0.393 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -12.333 -13.401 0.849 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -11.248 -14.521 0.048 1.00 2.08 H new ATOM 913 N GLN A 57 -9.309 -12.131 -2.176 1.00 0.83 N ATOM 914 CA GLN A 57 -8.226 -12.458 -3.091 1.00 0.93 C ATOM 915 C GLN A 57 -7.188 -11.345 -3.073 1.00 0.79 C ATOM 916 O GLN A 57 -7.531 -10.173 -2.914 1.00 0.82 O ATOM 917 CB GLN A 57 -8.760 -12.663 -4.507 1.00 1.30 C ATOM 918 CG GLN A 57 -8.964 -14.121 -4.881 1.00 1.81 C ATOM 919 CD GLN A 57 -9.472 -14.290 -6.299 1.00 2.19 C ATOM 920 OE1 GLN A 57 -8.773 -13.980 -7.266 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.699 -14.768 -6.438 1.00 2.43 N ATOM 0 H GLN A 57 -9.740 -11.221 -2.341 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.760 -13.388 -2.767 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -9.709 -12.136 -4.607 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -8.067 -12.209 -5.216 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -8.021 -14.657 -4.770 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.672 -14.575 -4.188 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -11.247 -15.013 -5.614 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -11.096 -14.891 -7.370 1.00 2.43 H new ATOM 930 N TRP A 58 -5.924 -11.727 -3.124 1.00 0.73 N ATOM 931 CA TRP A 58 -4.835 -10.782 -3.033 1.00 0.63 C ATOM 932 C TRP A 58 -4.619 -10.071 -4.355 1.00 0.67 C ATOM 933 O TRP A 58 -4.381 -10.701 -5.387 1.00 0.76 O ATOM 934 CB TRP A 58 -3.555 -11.493 -2.596 1.00 0.71 C ATOM 935 CG TRP A 58 -3.293 -11.370 -1.130 1.00 0.70 C ATOM 936 CD1 TRP A 58 -2.789 -12.326 -0.298 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.527 -10.218 -0.323 1.00 0.57 C ATOM 938 NE1 TRP A 58 -2.691 -11.833 0.981 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.134 -10.536 0.989 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.026 -8.944 -0.587 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.227 -9.619 2.033 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.116 -8.041 0.445 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.719 -8.378 1.737 1.00 0.49 C ATOM 0 H TRP A 58 -5.629 -12.698 -3.229 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.096 -10.033 -2.286 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.623 -12.548 -2.860 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.710 -11.080 -3.147 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -2.508 -13.324 -0.600 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.345 -12.348 1.791 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.336 -8.671 -1.585 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -2.923 -9.878 3.036 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.502 -7.051 0.251 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.802 -7.642 2.523 1.00 0.49 H new ATOM 954 N GLN A 59 -4.710 -8.757 -4.311 1.00 0.70 N ATOM 955 CA GLN A 59 -4.543 -7.940 -5.498 1.00 0.79 C ATOM 956 C GLN A 59 -3.069 -7.627 -5.722 1.00 0.95 C ATOM 957 O GLN A 59 -2.226 -7.986 -4.904 1.00 1.64 O ATOM 958 CB GLN A 59 -5.353 -6.657 -5.340 1.00 1.06 C ATOM 959 CG GLN A 59 -6.432 -6.473 -6.396 1.00 1.36 C ATOM 960 CD GLN A 59 -6.067 -7.101 -7.725 1.00 1.68 C ATOM 961 OE1 GLN A 59 -5.142 -6.650 -8.403 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.780 -8.151 -8.097 1.00 2.14 N ATOM 0 H GLN A 59 -4.900 -8.228 -3.460 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.905 -8.484 -6.370 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.819 -6.653 -4.355 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -4.675 -5.804 -5.376 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -7.364 -6.910 -6.037 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -6.614 -5.408 -6.541 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.537 -8.490 -7.503 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -6.573 -8.622 -8.978 1.00 2.14 H new ATOM 971 N HIS A 60 -2.750 -7.014 -6.854 1.00 0.80 N ATOM 972 CA HIS A 60 -1.365 -6.712 -7.184 1.00 1.11 C ATOM 973 C HIS A 60 -1.219 -5.295 -7.718 1.00 0.88 C ATOM 974 O HIS A 60 -1.675 -4.985 -8.818 1.00 1.12 O ATOM 975 CB HIS A 60 -0.830 -7.707 -8.220 1.00 1.75 C ATOM 976 CG HIS A 60 0.639 -7.563 -8.493 1.00 1.87 C ATOM 977 ND1 HIS A 60 1.158 -6.687 -9.426 1.00 2.49 N ATOM 978 CD2 HIS A 60 1.706 -8.188 -7.939 1.00 2.11 C ATOM 979 CE1 HIS A 60 2.475 -6.782 -9.431 1.00 2.81 C ATOM 980 NE2 HIS A 60 2.832 -7.684 -8.540 1.00 2.58 N ATOM 0 H HIS A 60 -3.428 -6.718 -7.556 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.784 -6.798 -6.266 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -1.028 -8.721 -7.873 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -1.378 -7.577 -9.153 1.00 1.75 H new ATOM 0 HD2 HIS A 60 1.676 -8.943 -7.167 1.00 2.11 H new ATOM 0 HE1 HIS A 60 3.146 -6.216 -10.060 1.00 2.81 H new ATOM 0 HE2 HIS A 60 3.791 -7.963 -8.331 1.00 2.58 H new ATOM 989 N VAL A 61 -0.508 -4.465 -6.970 1.00 0.60 N ATOM 990 CA VAL A 61 -0.193 -3.112 -7.404 1.00 0.59 C ATOM 991 C VAL A 61 1.287 -2.823 -7.171 1.00 0.51 C ATOM 992 O VAL A 61 1.793 -3.008 -6.064 1.00 0.55 O ATOM 993 CB VAL A 61 -1.037 -2.053 -6.657 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.633 -0.649 -7.079 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.522 -2.271 -6.900 1.00 1.48 C ATOM 0 H VAL A 61 -0.135 -4.707 -6.052 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.429 -3.049 -8.466 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.845 -2.163 -5.590 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.239 0.081 -6.542 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.420 -0.488 -6.847 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.790 -0.532 -8.151 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -3.093 -1.513 -6.364 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.731 -2.196 -7.967 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.808 -3.261 -6.544 1.00 1.48 H new ATOM 1005 N GLU A 62 1.968 -2.342 -8.199 1.00 0.81 N ATOM 1006 CA GLU A 62 3.368 -1.975 -8.077 1.00 1.05 C ATOM 1007 C GLU A 62 3.514 -0.462 -8.123 1.00 0.71 C ATOM 1008 O GLU A 62 3.170 0.171 -9.120 1.00 0.80 O ATOM 1009 CB GLU A 62 4.200 -2.614 -9.191 1.00 1.61 C ATOM 1010 CG GLU A 62 5.683 -2.277 -9.116 1.00 2.42 C ATOM 1011 CD GLU A 62 6.263 -1.879 -10.458 1.00 3.17 C ATOM 1012 OE1 GLU A 62 6.380 -2.748 -11.348 1.00 3.60 O ATOM 1013 OE2 GLU A 62 6.601 -0.687 -10.632 1.00 3.63 O ATOM 0 H GLU A 62 1.572 -2.197 -9.128 1.00 0.81 H new ATOM 0 HA GLU A 62 3.736 -2.344 -7.120 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.080 -3.696 -9.147 1.00 1.61 H new ATOM 0 HB3 GLU A 62 3.811 -2.289 -10.156 1.00 1.61 H new ATOM 0 HG2 GLU A 62 5.831 -1.463 -8.406 1.00 2.42 H new ATOM 0 HG3 GLU A 62 6.228 -3.139 -8.731 1.00 2.42 H new ATOM 1020 N LEU A 63 4.036 0.111 -7.055 1.00 0.61 N ATOM 1021 CA LEU A 63 4.261 1.543 -6.992 1.00 0.71 C ATOM 1022 C LEU A 63 5.747 1.836 -7.093 1.00 0.75 C ATOM 1023 O LEU A 63 6.463 1.814 -6.093 1.00 0.94 O ATOM 1024 CB LEU A 63 3.689 2.122 -5.697 1.00 0.97 C ATOM 1025 CG LEU A 63 2.164 2.116 -5.606 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.696 1.108 -4.569 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.643 3.507 -5.279 1.00 1.18 C ATOM 0 H LEU A 63 4.314 -0.396 -6.215 1.00 0.61 H new ATOM 0 HA LEU A 63 3.749 2.016 -7.830 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.090 1.557 -4.856 1.00 0.97 H new ATOM 0 HB3 LEU A 63 4.041 3.148 -5.589 1.00 0.97 H new ATOM 0 HG LEU A 63 1.762 1.821 -6.575 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.607 1.117 -4.518 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.037 0.112 -4.850 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.107 1.371 -3.594 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.555 3.483 -5.218 1.00 1.18 H new ATOM 0 HD22 LEU A 63 2.053 3.834 -4.323 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.947 4.203 -6.061 1.00 1.18 H new ATOM 1039 N SER A 64 6.211 2.042 -8.318 1.00 0.78 N ATOM 1040 CA SER A 64 7.619 2.289 -8.587 1.00 0.89 C ATOM 1041 C SER A 64 8.144 3.460 -7.758 1.00 0.82 C ATOM 1042 O SER A 64 9.238 3.395 -7.198 1.00 1.57 O ATOM 1043 CB SER A 64 7.795 2.550 -10.080 1.00 1.13 C ATOM 1044 OG SER A 64 6.731 1.952 -10.816 1.00 1.36 O ATOM 0 H SER A 64 5.622 2.042 -9.151 1.00 0.78 H new ATOM 0 HA SER A 64 8.200 1.412 -8.300 1.00 0.89 H new ATOM 0 HB2 SER A 64 7.818 3.623 -10.268 1.00 1.13 H new ATOM 0 HB3 SER A 64 8.750 2.147 -10.416 1.00 1.13 H new ATOM 0 HG SER A 64 6.736 0.983 -10.670 1.00 1.36 H new ATOM 1050 N ASN A 65 7.310 4.474 -7.592 1.00 1.03 N ATOM 1051 CA ASN A 65 7.633 5.601 -6.732 1.00 0.94 C ATOM 1052 C ASN A 65 6.360 6.300 -6.294 1.00 0.82 C ATOM 1053 O ASN A 65 6.031 7.386 -6.774 1.00 1.16 O ATOM 1054 CB ASN A 65 8.567 6.584 -7.439 1.00 1.03 C ATOM 1055 CG ASN A 65 9.835 6.821 -6.646 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.272 7.956 -6.463 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.433 5.744 -6.165 1.00 1.97 N ATOM 0 H ASN A 65 6.398 4.539 -8.045 1.00 1.03 H new ATOM 0 HA ASN A 65 8.152 5.223 -5.851 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.822 6.198 -8.426 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.050 7.532 -7.591 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.290 5.837 -5.619 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.037 4.820 -6.340 1.00 1.97 H new ATOM 1064 N GLY A 66 5.613 5.645 -5.418 1.00 0.69 N ATOM 1065 CA GLY A 66 4.360 6.198 -4.959 1.00 0.66 C ATOM 1066 C GLY A 66 4.228 6.152 -3.454 1.00 0.61 C ATOM 1067 O GLY A 66 4.723 5.228 -2.809 1.00 0.87 O ATOM 0 H GLY A 66 5.854 4.739 -5.017 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.276 7.231 -5.297 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.535 5.647 -5.411 1.00 0.66 H new ATOM 1071 N THR A 67 3.558 7.151 -2.899 1.00 0.40 N ATOM 1072 CA THR A 67 3.344 7.231 -1.463 1.00 0.41 C ATOM 1073 C THR A 67 1.874 7.503 -1.159 1.00 0.36 C ATOM 1074 O THR A 67 1.479 7.683 -0.008 1.00 0.39 O ATOM 1075 CB THR A 67 4.217 8.331 -0.836 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.735 9.185 -1.866 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.374 7.720 -0.062 1.00 0.70 C ATOM 0 H THR A 67 3.151 7.923 -3.427 1.00 0.40 H new ATOM 0 HA THR A 67 3.628 6.273 -1.028 1.00 0.41 H new ATOM 0 HB THR A 67 3.600 8.912 -0.150 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.289 9.885 -1.462 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.980 8.514 0.374 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.984 7.083 0.732 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.988 7.124 -0.737 1.00 0.70 H new ATOM 1085 N ALA A 68 1.065 7.511 -2.207 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.362 7.728 -2.073 1.00 0.47 C ATOM 1087 C ALA A 68 -1.108 6.897 -3.105 1.00 0.47 C ATOM 1088 O ALA A 68 -1.154 7.246 -4.283 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.694 9.206 -2.225 1.00 0.59 C ATOM 0 H ALA A 68 1.379 7.368 -3.167 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.677 7.414 -1.078 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.769 9.350 -2.122 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.176 9.776 -1.454 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.375 9.551 -3.208 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.656 5.776 -2.665 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.384 4.894 -3.556 1.00 0.45 C ATOM 1097 C HIS A 69 -3.852 5.274 -3.593 1.00 0.40 C ATOM 1098 O HIS A 69 -4.451 5.591 -2.569 1.00 0.80 O ATOM 1099 CB HIS A 69 -2.240 3.430 -3.134 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.674 2.470 -4.199 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -3.673 1.543 -4.023 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.259 2.328 -5.471 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -3.851 0.874 -5.150 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.006 1.332 -6.046 1.00 0.75 N ATOM 0 H HIS A 69 -1.609 5.457 -1.697 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.956 5.006 -4.552 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -1.200 3.232 -2.876 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.830 3.257 -2.234 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -1.477 2.897 -5.953 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -4.570 0.084 -5.307 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -2.920 1.002 -7.007 1.00 0.75 H new ATOM 1113 N THR A 70 -4.420 5.248 -4.774 1.00 0.41 N ATOM 1114 CA THR A 70 -5.814 5.601 -4.958 1.00 0.44 C ATOM 1115 C THR A 70 -6.652 4.377 -5.306 1.00 0.47 C ATOM 1116 O THR A 70 -6.960 4.134 -6.473 1.00 0.72 O ATOM 1117 CB THR A 70 -5.976 6.660 -6.061 1.00 0.60 C ATOM 1118 OG1 THR A 70 -4.757 7.402 -6.208 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.114 7.608 -5.728 1.00 0.84 C ATOM 0 H THR A 70 -3.936 4.984 -5.632 1.00 0.41 H new ATOM 0 HA THR A 70 -6.167 6.014 -4.013 1.00 0.44 H new ATOM 0 HB THR A 70 -6.207 6.152 -6.997 1.00 0.60 H new ATOM 0 HG1 THR A 70 -4.866 8.074 -6.913 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.213 8.350 -6.520 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.043 7.045 -5.640 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.904 8.111 -4.784 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.087 3.650 -4.286 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.981 2.523 -4.504 1.00 0.44 C ATOM 1129 C ILE A 71 -9.407 3.017 -4.684 1.00 0.34 C ATOM 1130 O ILE A 71 -10.177 3.085 -3.731 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.950 1.500 -3.349 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.519 1.077 -3.035 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -8.789 0.280 -3.705 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.418 0.082 -1.900 1.00 0.70 C ATOM 0 H ILE A 71 -6.839 3.818 -3.311 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.630 2.019 -5.404 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.370 1.975 -2.462 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -6.073 0.642 -3.929 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -5.934 1.962 -2.785 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -8.759 -0.435 -2.882 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -9.820 0.587 -3.882 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -8.389 -0.186 -4.605 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.372 -0.174 -1.732 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -6.834 0.521 -0.993 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.975 -0.819 -2.156 1.00 0.70 H new ATOM 1146 N THR A 72 -9.768 3.298 -5.921 1.00 0.37 N ATOM 1147 CA THR A 72 -11.129 3.684 -6.251 1.00 0.33 C ATOM 1148 C THR A 72 -11.947 2.433 -6.550 1.00 0.31 C ATOM 1149 O THR A 72 -13.093 2.501 -6.991 1.00 0.33 O ATOM 1150 CB THR A 72 -11.165 4.632 -7.468 1.00 0.43 C ATOM 1151 OG1 THR A 72 -9.923 5.349 -7.572 1.00 1.33 O ATOM 1152 CG2 THR A 72 -12.317 5.618 -7.352 1.00 1.22 C ATOM 0 H THR A 72 -9.134 3.266 -6.720 1.00 0.37 H new ATOM 0 HA THR A 72 -11.553 4.215 -5.399 1.00 0.33 H new ATOM 0 HB THR A 72 -11.312 4.030 -8.364 1.00 0.43 H new ATOM 0 HG1 THR A 72 -9.954 5.947 -8.348 1.00 1.33 H new ATOM 0 HG21 THR A 72 -12.322 6.276 -8.221 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.259 5.072 -7.304 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.196 6.214 -6.447 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.320 1.291 -6.312 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.945 -0.005 -6.549 1.00 0.40 C ATOM 1162 C ASP A 73 -12.537 -0.573 -5.269 1.00 0.39 C ATOM 1163 O ASP A 73 -12.971 -1.725 -5.230 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.924 -0.985 -7.135 1.00 0.52 C ATOM 1165 CG ASP A 73 -11.585 -2.154 -7.836 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -12.295 -1.930 -8.841 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -11.400 -3.304 -7.388 1.00 1.31 O ATOM 0 H ASP A 73 -10.368 1.234 -5.951 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.756 0.138 -7.263 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -10.281 -0.458 -7.840 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.283 -1.359 -6.337 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.383 0.165 -4.185 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.703 -0.365 -2.874 1.00 0.33 C ATOM 1174 C ALA A 74 -14.191 -0.282 -2.570 1.00 0.35 C ATOM 1175 O ALA A 74 -14.784 0.790 -2.582 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.888 0.348 -1.809 1.00 0.36 C ATOM 0 H ALA A 74 -12.041 1.126 -4.186 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.440 -1.423 -2.870 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.136 -0.058 -0.828 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.826 0.201 -2.004 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.116 1.414 -1.829 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.775 -1.424 -2.254 1.00 0.48 N ATOM 1183 CA TYR A 75 -16.168 -1.486 -1.859 1.00 0.52 C ATOM 1184 C TYR A 75 -16.307 -1.046 -0.408 1.00 0.46 C ATOM 1185 O TYR A 75 -15.866 -1.748 0.500 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.706 -2.910 -2.017 1.00 0.71 C ATOM 1187 CG TYR A 75 -17.226 -3.225 -3.401 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -16.431 -3.040 -4.526 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -18.510 -3.722 -3.579 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -16.902 -3.339 -5.788 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -18.987 -4.029 -4.837 1.00 2.26 C ATOM 1192 CZ TYR A 75 -18.181 -3.834 -5.938 1.00 2.21 C ATOM 1193 OH TYR A 75 -18.652 -4.142 -7.195 1.00 2.86 O ATOM 0 H TYR A 75 -14.300 -2.327 -2.264 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.745 -0.820 -2.501 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.913 -3.616 -1.770 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.508 -3.066 -1.295 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -15.428 -2.656 -4.410 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -19.146 -3.871 -2.719 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -16.273 -3.187 -6.653 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -19.986 -4.420 -4.958 1.00 2.26 H new ATOM 0 HH TYR A 75 -19.569 -4.480 -7.127 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.886 0.129 -0.198 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.058 0.684 1.145 1.00 0.57 C ATOM 1205 C ALA A 76 -17.961 -0.190 2.011 1.00 0.50 C ATOM 1206 O ALA A 76 -18.059 0.008 3.223 1.00 0.63 O ATOM 1207 CB ALA A 76 -17.622 2.088 1.058 1.00 0.74 C ATOM 0 H ALA A 76 -17.248 0.723 -0.944 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.076 0.714 1.618 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -17.747 2.493 2.062 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -16.937 2.721 0.494 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -18.589 2.061 0.555 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.618 -1.150 1.380 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.507 -2.042 2.095 1.00 0.55 C ATOM 1215 C GLY A 77 -18.771 -3.065 2.942 1.00 0.48 C ATOM 1216 O GLY A 77 -19.337 -3.608 3.890 1.00 0.58 O ATOM 0 H GLY A 77 -18.551 -1.329 0.378 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.164 -1.454 2.736 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.143 -2.562 1.379 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.513 -3.330 2.610 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.721 -4.302 3.355 1.00 0.49 C ATOM 1222 C LYS A 78 -15.261 -3.877 3.428 1.00 0.43 C ATOM 1223 O LYS A 78 -14.665 -3.525 2.412 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.833 -5.685 2.711 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.720 -6.648 3.485 1.00 0.98 C ATOM 1226 CD LYS A 78 -17.410 -6.627 4.974 1.00 1.62 C ATOM 1227 CE LYS A 78 -18.633 -6.979 5.802 1.00 1.93 C ATOM 1228 NZ LYS A 78 -18.511 -8.321 6.430 1.00 2.32 N ATOM 0 H LYS A 78 -17.021 -2.888 1.834 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.115 -4.350 4.370 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.226 -5.575 1.700 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.836 -6.116 2.620 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -18.766 -6.385 3.328 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.583 -7.658 3.099 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -16.608 -7.333 5.190 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -17.049 -5.638 5.258 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -18.775 -6.227 6.578 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.520 -6.954 5.168 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -19.366 -8.523 6.986 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -18.402 -9.042 5.689 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -17.680 -8.338 7.055 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.718 -3.860 4.643 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.348 -3.415 4.890 1.00 0.43 C ATOM 1244 C GLU A 79 -12.338 -4.102 3.972 1.00 0.37 C ATOM 1245 O GLU A 79 -12.465 -5.286 3.649 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.969 -3.677 6.346 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.359 -2.472 7.043 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.375 -1.670 7.830 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -14.506 -2.160 8.040 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -13.047 -0.542 8.253 1.00 2.05 O ATOM 0 H GLU A 79 -15.215 -4.154 5.484 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.315 -2.346 4.678 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.858 -3.991 6.893 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.262 -4.505 6.385 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.570 -2.808 7.715 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -11.891 -1.827 6.299 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.308 -3.355 3.600 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.232 -3.874 2.770 1.00 0.38 C ATOM 1259 C TYR A 80 -8.955 -3.991 3.589 1.00 0.41 C ATOM 1260 O TYR A 80 -8.551 -3.029 4.250 1.00 0.55 O ATOM 1261 CB TYR A 80 -9.967 -2.935 1.590 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.834 -3.186 0.377 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.212 -3.307 0.491 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.270 -3.284 -0.888 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -13.002 -3.525 -0.618 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -11.054 -3.499 -2.003 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.419 -3.616 -1.863 1.00 0.66 C ATOM 1268 OH TYR A 80 -13.206 -3.826 -2.970 1.00 0.85 O ATOM 0 H TYR A 80 -11.195 -2.376 3.864 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.531 -4.854 2.399 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.116 -1.907 1.920 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -8.921 -3.027 1.298 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.673 -3.229 1.464 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.200 -3.190 -1.001 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -14.072 -3.624 -0.511 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.600 -3.575 -2.980 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.847 -3.318 -3.728 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.254 -5.103 3.440 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.936 -5.231 4.033 1.00 0.33 C ATOM 1280 C ILE A 81 -5.879 -4.899 2.983 1.00 0.29 C ATOM 1281 O ILE A 81 -5.684 -5.638 2.015 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.680 -6.631 4.654 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.184 -6.824 4.941 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.201 -7.737 3.750 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.846 -8.159 5.572 1.00 1.11 C ATOM 0 H ILE A 81 -8.572 -5.921 2.920 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.875 -4.524 4.860 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.225 -6.688 5.596 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.629 -6.724 4.008 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.845 -6.025 5.601 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.007 -8.705 4.211 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.274 -7.613 3.604 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.696 -7.687 2.786 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.771 -8.219 5.744 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.371 -8.256 6.522 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.152 -8.965 4.905 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.315 -3.715 3.117 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.356 -3.192 2.165 1.00 0.30 C ATOM 1299 C ILE A 82 -2.949 -3.319 2.724 1.00 0.32 C ATOM 1300 O ILE A 82 -2.520 -2.502 3.537 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.638 -1.709 1.843 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -6.144 -1.460 1.729 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.936 -1.299 0.560 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.584 -0.143 2.327 1.00 0.64 C ATOM 0 H ILE A 82 -5.511 -3.085 3.895 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.448 -3.773 1.247 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.248 -1.102 2.660 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.430 -1.486 0.678 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.677 -2.271 2.225 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -4.146 -0.250 0.349 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.861 -1.438 0.673 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.296 -1.914 -0.264 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.662 -0.033 2.211 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.329 -0.121 3.387 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -6.078 0.676 1.815 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.252 -4.366 2.326 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.914 -4.613 2.825 1.00 0.34 C ATOM 1318 C GLN A 83 0.131 -4.008 1.892 1.00 0.29 C ATOM 1319 O GLN A 83 0.016 -4.098 0.669 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.673 -6.110 2.998 1.00 0.44 C ATOM 1321 CG GLN A 83 0.602 -6.421 3.762 1.00 0.60 C ATOM 1322 CD GLN A 83 0.487 -7.662 4.621 1.00 0.71 C ATOM 1323 OE1 GLN A 83 0.045 -8.716 4.160 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.890 -7.548 5.876 1.00 0.64 N ATOM 0 H GLN A 83 -2.591 -5.059 1.658 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.821 -4.134 3.800 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.521 -6.551 3.522 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.626 -6.581 2.016 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.421 -6.550 3.054 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.857 -5.570 4.394 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.250 -6.657 6.217 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.841 -8.352 6.502 1.00 0.64 H new ATOM 1333 N VAL A 84 1.086 -3.307 2.483 1.00 0.28 N ATOM 1334 CA VAL A 84 2.101 -2.588 1.733 1.00 0.28 C ATOM 1335 C VAL A 84 3.495 -3.157 2.011 1.00 0.28 C ATOM 1336 O VAL A 84 3.882 -3.348 3.170 1.00 0.32 O ATOM 1337 CB VAL A 84 2.078 -1.085 2.091 1.00 0.35 C ATOM 1338 CG1 VAL A 84 3.103 -0.306 1.281 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.685 -0.506 1.886 1.00 0.51 C ATOM 0 H VAL A 84 1.178 -3.221 3.495 1.00 0.28 H new ATOM 0 HA VAL A 84 1.877 -2.709 0.673 1.00 0.28 H new ATOM 0 HB VAL A 84 2.343 -0.991 3.144 1.00 0.35 H new ATOM 0 HG11 VAL A 84 3.061 0.748 1.557 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.100 -0.695 1.486 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.884 -0.412 0.219 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.690 0.553 2.143 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.392 -0.625 0.843 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.025 -1.031 2.525 1.00 0.51 H new ATOM 1349 N ALA A 85 4.246 -3.403 0.942 1.00 0.31 N ATOM 1350 CA ALA A 85 5.616 -3.899 1.036 1.00 0.36 C ATOM 1351 C ALA A 85 6.570 -2.938 0.332 1.00 0.30 C ATOM 1352 O ALA A 85 6.137 -1.906 -0.185 1.00 0.37 O ATOM 1353 CB ALA A 85 5.723 -5.291 0.433 1.00 0.49 C ATOM 0 H ALA A 85 3.922 -3.264 -0.015 1.00 0.31 H new ATOM 0 HA ALA A 85 5.893 -3.961 2.088 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.751 -5.644 0.512 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.063 -5.972 0.971 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.431 -5.256 -0.617 1.00 0.49 H new ATOM 1359 N ALA A 86 7.858 -3.269 0.304 1.00 0.35 N ATOM 1360 CA ALA A 86 8.848 -2.398 -0.318 1.00 0.45 C ATOM 1361 C ALA A 86 10.044 -3.182 -0.847 1.00 0.40 C ATOM 1362 O ALA A 86 10.281 -4.321 -0.450 1.00 0.55 O ATOM 1363 CB ALA A 86 9.312 -1.347 0.678 1.00 0.70 C ATOM 0 H ALA A 86 8.238 -4.128 0.702 1.00 0.35 H new ATOM 0 HA ALA A 86 8.372 -1.911 -1.169 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.052 -0.700 0.206 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.459 -0.749 1.000 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.758 -1.837 1.543 1.00 0.70 H new ATOM 1369 N LYS A 87 10.795 -2.548 -1.738 1.00 0.46 N ATOM 1370 CA LYS A 87 11.990 -3.141 -2.323 1.00 0.49 C ATOM 1371 C LYS A 87 12.844 -2.045 -2.961 1.00 0.61 C ATOM 1372 O LYS A 87 12.311 -1.099 -3.545 1.00 0.80 O ATOM 1373 CB LYS A 87 11.605 -4.196 -3.367 1.00 0.62 C ATOM 1374 CG LYS A 87 12.790 -4.820 -4.083 1.00 0.69 C ATOM 1375 CD LYS A 87 12.380 -5.388 -5.431 1.00 0.91 C ATOM 1376 CE LYS A 87 12.603 -4.386 -6.549 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.170 -5.030 -7.764 1.00 1.33 N ATOM 0 H LYS A 87 10.592 -1.607 -2.076 1.00 0.46 H new ATOM 0 HA LYS A 87 12.567 -3.632 -1.539 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.033 -4.985 -2.878 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.948 -3.738 -4.106 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.569 -4.071 -4.223 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.216 -5.611 -3.466 1.00 0.69 H new ATOM 0 HD2 LYS A 87 12.951 -6.294 -5.634 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.329 -5.674 -5.402 1.00 0.91 H new ATOM 0 HE2 LYS A 87 11.657 -3.905 -6.800 1.00 1.08 H new ATOM 0 HE3 LYS A 87 13.278 -3.602 -6.205 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 13.308 -4.313 -8.505 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 14.084 -5.467 -7.531 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 12.515 -5.761 -8.107 1.00 1.33 H new ATOM 1391 N ASP A 88 14.159 -2.145 -2.811 1.00 0.67 N ATOM 1392 CA ASP A 88 15.069 -1.136 -3.350 1.00 0.81 C ATOM 1393 C ASP A 88 15.218 -1.292 -4.865 1.00 0.90 C ATOM 1394 O ASP A 88 14.982 -2.368 -5.421 1.00 1.00 O ATOM 1395 CB ASP A 88 16.437 -1.226 -2.664 1.00 0.96 C ATOM 1396 CG ASP A 88 17.456 -0.275 -3.262 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.110 0.901 -3.508 1.00 1.53 O ATOM 1398 OD2 ASP A 88 18.602 -0.703 -3.506 1.00 1.42 O ATOM 0 H ASP A 88 14.621 -2.912 -2.322 1.00 0.67 H new ATOM 0 HA ASP A 88 14.645 -0.152 -3.149 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.321 -1.007 -1.602 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.811 -2.247 -2.740 1.00 0.96 H new ATOM 1403 N ASN A 89 15.583 -0.204 -5.529 1.00 1.00 N ATOM 1404 CA ASN A 89 15.746 -0.200 -6.977 1.00 1.17 C ATOM 1405 C ASN A 89 17.167 -0.584 -7.369 1.00 1.27 C ATOM 1406 O ASN A 89 17.391 -1.167 -8.432 1.00 1.46 O ATOM 1407 CB ASN A 89 15.415 1.180 -7.544 1.00 1.30 C ATOM 1408 CG ASN A 89 14.046 1.237 -8.193 1.00 1.53 C ATOM 1409 OD1 ASN A 89 13.765 0.520 -9.154 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.181 2.085 -7.662 1.00 1.75 N ATOM 0 H ASN A 89 15.773 0.694 -5.084 1.00 1.00 H new ATOM 0 HA ASN A 89 15.059 -0.937 -7.392 1.00 1.17 H new ATOM 0 HB2 ASN A 89 15.463 1.918 -6.743 1.00 1.30 H new ATOM 0 HB3 ASN A 89 16.172 1.457 -8.278 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.240 2.163 -8.049 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.455 2.661 -6.866 1.00 1.75 H new ATOM 1417 N GLU A 90 18.125 -0.262 -6.503 1.00 1.29 N ATOM 1418 CA GLU A 90 19.524 -0.587 -6.754 1.00 1.46 C ATOM 1419 C GLU A 90 19.745 -2.089 -6.620 1.00 1.44 C ATOM 1420 O GLU A 90 20.047 -2.773 -7.600 1.00 1.57 O ATOM 1421 CB GLU A 90 20.435 0.170 -5.782 1.00 1.60 C ATOM 1422 CG GLU A 90 21.061 1.420 -6.375 1.00 1.82 C ATOM 1423 CD GLU A 90 21.636 1.183 -7.755 1.00 1.96 C ATOM 1424 OE1 GLU A 90 22.404 0.212 -7.925 1.00 2.17 O ATOM 1425 OE2 GLU A 90 21.329 1.969 -8.677 1.00 2.26 O ATOM 0 H GLU A 90 17.957 0.224 -5.622 1.00 1.29 H new ATOM 0 HA GLU A 90 19.774 -0.282 -7.770 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.858 0.447 -4.900 1.00 1.60 H new ATOM 0 HB3 GLU A 90 21.228 -0.498 -5.447 1.00 1.60 H new ATOM 0 HG2 GLU A 90 20.310 2.208 -6.429 1.00 1.82 H new ATOM 0 HG3 GLU A 90 21.850 1.776 -5.713 1.00 1.82 H new ATOM 1432 N ILE A 91 19.450 -2.610 -5.442 1.00 1.38 N ATOM 1433 CA ILE A 91 19.478 -4.045 -5.209 1.00 1.45 C ATOM 1434 C ILE A 91 18.069 -4.524 -4.887 1.00 1.48 C ATOM 1435 O ILE A 91 17.326 -3.836 -4.192 1.00 1.79 O ATOM 1436 CB ILE A 91 20.443 -4.423 -4.057 1.00 1.63 C ATOM 1437 CG1 ILE A 91 21.893 -4.135 -4.466 1.00 2.02 C ATOM 1438 CG2 ILE A 91 20.286 -5.888 -3.671 1.00 1.69 C ATOM 1439 CD1 ILE A 91 22.912 -4.458 -3.392 1.00 2.51 C ATOM 0 H ILE A 91 19.187 -2.057 -4.626 1.00 1.38 H new ATOM 0 HA ILE A 91 19.844 -4.532 -6.113 1.00 1.45 H new ATOM 0 HB ILE A 91 20.191 -3.814 -3.188 1.00 1.63 H new ATOM 0 HG12 ILE A 91 22.129 -4.711 -5.361 1.00 2.02 H new ATOM 0 HG13 ILE A 91 21.982 -3.082 -4.732 1.00 2.02 H new ATOM 0 HG21 ILE A 91 20.975 -6.127 -2.861 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.263 -6.070 -3.343 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.508 -6.517 -4.533 1.00 1.69 H new ATOM 0 HD11 ILE A 91 23.912 -4.227 -3.758 1.00 2.51 H new ATOM 0 HD12 ILE A 91 22.705 -3.863 -2.503 1.00 2.51 H new ATOM 0 HD13 ILE A 91 22.853 -5.517 -3.141 1.00 2.51 H new ATOM 1451 N GLY A 92 17.670 -5.641 -5.476 1.00 1.53 N ATOM 1452 CA GLY A 92 16.320 -6.132 -5.293 1.00 1.75 C ATOM 1453 C GLY A 92 16.106 -6.775 -3.937 1.00 1.30 C ATOM 1454 O GLY A 92 15.700 -7.934 -3.852 1.00 1.27 O ATOM 0 H GLY A 92 18.258 -6.217 -6.078 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.619 -5.306 -5.413 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.094 -6.858 -6.074 1.00 1.75 H new ATOM 1458 N THR A 93 16.354 -6.021 -2.879 1.00 1.16 N ATOM 1459 CA THR A 93 16.139 -6.503 -1.527 1.00 0.92 C ATOM 1460 C THR A 93 14.654 -6.462 -1.192 1.00 0.81 C ATOM 1461 O THR A 93 14.096 -5.396 -0.933 1.00 0.82 O ATOM 1462 CB THR A 93 16.926 -5.661 -0.516 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.642 -4.624 -1.204 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.901 -6.534 0.259 1.00 1.62 C ATOM 0 H THR A 93 16.707 -5.066 -2.933 1.00 1.16 H new ATOM 0 HA THR A 93 16.494 -7.532 -1.468 1.00 0.92 H new ATOM 0 HB THR A 93 16.225 -5.212 0.188 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.143 -4.086 -0.555 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.451 -5.920 0.972 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.350 -7.307 0.795 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.601 -7.001 -0.434 1.00 1.62 H new ATOM 1472 N TRP A 94 13.996 -7.595 -1.378 1.00 0.78 N ATOM 1473 CA TRP A 94 12.552 -7.671 -1.254 1.00 0.75 C ATOM 1474 C TRP A 94 12.113 -7.701 0.204 1.00 0.74 C ATOM 1475 O TRP A 94 12.164 -8.749 0.854 1.00 0.89 O ATOM 1476 CB TRP A 94 12.038 -8.917 -1.975 1.00 0.82 C ATOM 1477 CG TRP A 94 11.055 -8.618 -3.061 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.308 -8.555 -4.400 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.659 -8.347 -2.900 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.156 -8.258 -5.083 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.129 -8.128 -4.185 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.807 -8.271 -1.796 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.785 -7.836 -4.392 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.474 -7.981 -2.003 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.974 -7.767 -3.293 1.00 1.63 C ATOM 0 H TRP A 94 14.444 -8.480 -1.617 1.00 0.78 H new ATOM 0 HA TRP A 94 12.129 -6.777 -1.711 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.885 -9.455 -2.401 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.572 -9.581 -1.247 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.274 -8.715 -4.856 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.077 -8.151 -6.094 1.00 1.13 H new ATOM 0 HE3 TRP A 94 9.185 -8.436 -0.798 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.396 -7.670 -5.386 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.806 -7.918 -1.157 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.926 -7.543 -3.423 1.00 1.63 H new ATOM 1496 N SER A 95 11.573 -6.586 0.676 1.00 0.65 N ATOM 1497 CA SER A 95 10.983 -6.531 2.001 1.00 0.65 C ATOM 1498 C SER A 95 9.574 -7.110 1.950 1.00 0.63 C ATOM 1499 O SER A 95 8.757 -6.699 1.125 1.00 0.72 O ATOM 1500 CB SER A 95 10.955 -5.091 2.519 1.00 0.68 C ATOM 1501 OG SER A 95 12.252 -4.517 2.494 1.00 0.94 O ATOM 0 H SER A 95 11.533 -5.708 0.159 1.00 0.65 H new ATOM 0 HA SER A 95 11.589 -7.122 2.688 1.00 0.65 H new ATOM 0 HB2 SER A 95 10.277 -4.494 1.909 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.565 -5.074 3.537 1.00 0.68 H new ATOM 0 HG SER A 95 12.387 -3.978 3.301 1.00 0.94 H new ATOM 1507 N ASP A 96 9.344 -8.138 2.750 1.00 0.69 N ATOM 1508 CA ASP A 96 8.076 -8.862 2.738 1.00 0.74 C ATOM 1509 C ASP A 96 6.903 -7.949 3.101 1.00 0.63 C ATOM 1510 O ASP A 96 7.095 -6.880 3.689 1.00 0.53 O ATOM 1511 CB ASP A 96 8.151 -10.065 3.688 1.00 0.94 C ATOM 1512 CG ASP A 96 7.610 -9.780 5.078 1.00 1.28 C ATOM 1513 OD1 ASP A 96 8.238 -8.984 5.807 1.00 1.94 O ATOM 1514 OD2 ASP A 96 6.539 -10.319 5.434 1.00 1.57 O ATOM 0 H ASP A 96 10.023 -8.495 3.422 1.00 0.69 H new ATOM 0 HA ASP A 96 7.899 -9.224 1.725 1.00 0.74 H new ATOM 0 HB2 ASP A 96 7.593 -10.895 3.254 1.00 0.94 H new ATOM 0 HB3 ASP A 96 9.189 -10.387 3.771 1.00 0.94 H new ATOM 1519 N TRP A 97 5.703 -8.352 2.672 1.00 0.76 N ATOM 1520 CA TRP A 97 4.479 -7.575 2.883 1.00 0.73 C ATOM 1521 C TRP A 97 4.319 -7.201 4.354 1.00 0.60 C ATOM 1522 O TRP A 97 4.069 -8.060 5.200 1.00 0.76 O ATOM 1523 CB TRP A 97 3.262 -8.372 2.401 1.00 0.99 C ATOM 1524 CG TRP A 97 3.512 -9.143 1.138 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.812 -10.469 1.033 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.475 -8.635 -0.199 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.973 -10.814 -0.284 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.770 -9.707 -1.061 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.224 -7.377 -0.752 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.819 -9.562 -2.442 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.273 -7.232 -2.125 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.568 -8.319 -2.957 1.00 1.26 C ATOM 0 H TRP A 97 5.553 -9.226 2.169 1.00 0.76 H new ATOM 0 HA TRP A 97 4.552 -6.654 2.305 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.958 -9.065 3.186 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.430 -7.687 2.240 1.00 0.99 H new ATOM 0 HD1 TRP A 97 3.909 -11.149 1.867 1.00 2.12 H new ATOM 0 HE1 TRP A 97 4.206 -11.745 -0.629 1.00 2.24 H new ATOM 0 HE3 TRP A 97 2.996 -6.533 -0.118 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 4.047 -10.399 -3.085 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.081 -6.264 -2.564 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.598 -8.174 -4.027 1.00 1.26 H new ATOM 1543 N SER A 98 4.652 -5.959 4.667 1.00 0.41 N ATOM 1544 CA SER A 98 4.763 -5.524 6.046 1.00 0.42 C ATOM 1545 C SER A 98 3.456 -4.953 6.594 1.00 0.38 C ATOM 1546 O SER A 98 2.792 -5.588 7.412 1.00 0.46 O ATOM 1547 CB SER A 98 5.881 -4.488 6.154 1.00 0.51 C ATOM 1548 OG SER A 98 6.657 -4.459 4.963 1.00 0.50 O ATOM 0 H SER A 98 4.851 -5.233 3.979 1.00 0.41 H new ATOM 0 HA SER A 98 4.996 -6.399 6.653 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.454 -3.503 6.339 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.520 -4.723 7.005 1.00 0.51 H new ATOM 0 HG SER A 98 6.865 -5.376 4.686 1.00 0.50 H new ATOM 1554 N VAL A 99 3.158 -3.707 6.239 1.00 0.33 N ATOM 1555 CA VAL A 99 2.043 -2.988 6.849 1.00 0.34 C ATOM 1556 C VAL A 99 0.710 -3.343 6.208 1.00 0.32 C ATOM 1557 O VAL A 99 0.389 -2.873 5.119 1.00 0.34 O ATOM 1558 CB VAL A 99 2.242 -1.462 6.776 1.00 0.42 C ATOM 1559 CG1 VAL A 99 1.380 -0.766 7.820 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.707 -1.100 6.960 1.00 1.32 C ATOM 0 H VAL A 99 3.670 -3.175 5.535 1.00 0.33 H new ATOM 0 HA VAL A 99 2.024 -3.300 7.893 1.00 0.34 H new ATOM 0 HB VAL A 99 1.932 -1.121 5.788 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.531 0.312 7.757 1.00 1.21 H new ATOM 0 HG12 VAL A 99 0.330 -0.997 7.638 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.661 -1.114 8.814 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.824 -0.018 6.905 1.00 1.32 H new ATOM 0 HG22 VAL A 99 4.050 -1.453 7.933 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.299 -1.570 6.175 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.090 -4.110 6.932 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.440 -4.438 6.503 1.00 0.41 C ATOM 1572 C ALA A 100 -2.439 -3.433 7.068 1.00 0.43 C ATOM 1573 O ALA A 100 -2.811 -3.509 8.241 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.805 -5.851 6.933 1.00 0.50 C ATOM 0 H ALA A 100 0.176 -4.520 7.827 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.479 -4.387 5.415 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.818 -6.081 6.604 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.108 -6.559 6.484 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.750 -5.927 8.019 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.862 -2.492 6.243 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.830 -1.489 6.662 1.00 0.36 C ATOM 1582 C ALA A 101 -5.249 -2.006 6.458 1.00 0.41 C ATOM 1583 O ALA A 101 -5.498 -2.812 5.571 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.618 -0.196 5.887 1.00 0.42 C ATOM 0 H ALA A 101 -2.551 -2.400 5.276 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.685 -1.285 7.723 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.348 0.546 6.210 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.612 0.180 6.074 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.741 -0.386 4.821 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.175 -1.557 7.286 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.569 -1.973 7.161 1.00 0.57 C ATOM 1592 C HIS A 102 -8.472 -0.749 7.176 1.00 0.50 C ATOM 1593 O HIS A 102 -8.488 -0.004 8.155 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.981 -2.933 8.295 1.00 0.95 C ATOM 1595 CG HIS A 102 -6.894 -3.853 8.769 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -6.107 -3.578 9.864 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.467 -5.050 8.295 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -5.244 -4.557 10.045 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -5.440 -5.461 9.108 1.00 2.00 N ATOM 0 H HIS A 102 -5.993 -0.907 8.051 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.676 -2.504 6.215 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -8.333 -2.343 9.141 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.824 -3.535 7.954 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -6.860 -5.580 7.440 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -4.502 -4.609 10.828 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -4.913 -6.328 9.003 1.00 2.00 H new ATOM 1608 N ALA A 103 -9.194 -0.526 6.082 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.088 0.625 5.976 1.00 0.54 C ATOM 1610 C ALA A 103 -11.097 0.433 4.849 1.00 0.36 C ATOM 1611 O ALA A 103 -11.054 -0.567 4.130 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.289 1.903 5.755 1.00 0.91 C ATOM 0 H ALA A 103 -9.178 -1.125 5.257 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.636 0.711 6.914 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.971 2.750 5.678 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.611 2.058 6.594 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.712 1.817 4.834 1.00 0.91 H new ATOM 1618 N THR A 104 -12.001 1.395 4.701 1.00 0.41 N ATOM 1619 CA THR A 104 -13.024 1.351 3.664 1.00 0.38 C ATOM 1620 C THR A 104 -13.322 2.759 3.159 1.00 0.41 C ATOM 1621 O THR A 104 -13.164 3.719 3.907 1.00 0.51 O ATOM 1622 CB THR A 104 -14.326 0.741 4.204 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.190 0.454 5.601 1.00 0.73 O ATOM 1624 CG2 THR A 104 -14.671 -0.528 3.455 1.00 0.70 C ATOM 0 H THR A 104 -12.045 2.224 5.294 1.00 0.41 H new ATOM 0 HA THR A 104 -12.645 0.733 2.850 1.00 0.38 H new ATOM 0 HB THR A 104 -15.130 1.463 4.059 1.00 0.50 H new ATOM 0 HG1 THR A 104 -15.025 0.067 5.938 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.596 -0.945 3.852 1.00 0.70 H new ATOM 0 HG22 THR A 104 -14.800 -0.302 2.396 1.00 0.70 H new ATOM 0 HG23 THR A 104 -13.866 -1.252 3.576 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.752 2.915 1.892 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.113 4.226 1.338 1.00 0.38 C ATOM 1634 C PRO A 105 -15.382 4.792 1.980 1.00 0.40 C ATOM 1635 O PRO A 105 -15.822 4.323 3.033 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.352 3.959 -0.151 1.00 0.44 C ATOM 1637 CG PRO A 105 -13.855 2.579 -0.410 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.904 1.844 0.900 1.00 0.40 C ATOM 0 HA PRO A 105 -13.332 4.963 1.523 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.410 4.044 -0.397 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.822 4.686 -0.767 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.473 2.080 -1.156 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -12.838 2.602 -0.802 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.845 1.309 1.026 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.105 1.107 0.978 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.967 5.800 1.347 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.177 6.418 1.865 1.00 0.41 C ATOM 1648 C TRP A 106 -18.362 5.470 1.720 1.00 0.48 C ATOM 1649 O TRP A 106 -18.717 5.076 0.613 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.456 7.734 1.132 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.795 8.323 1.449 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.275 8.645 2.686 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.832 8.654 0.517 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.548 9.146 2.579 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.910 9.166 1.260 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.953 8.567 -0.872 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.092 9.590 0.662 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -21.125 8.988 -1.466 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -22.182 9.494 -0.700 1.00 1.07 C ATOM 0 H TRP A 106 -15.623 6.205 0.476 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.032 6.632 2.924 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.681 8.455 1.390 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.388 7.563 0.058 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.733 8.523 3.612 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.131 9.454 3.358 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.143 8.177 -1.471 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.909 9.981 1.251 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.229 8.926 -2.539 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -23.087 9.815 -1.194 1.00 1.07 H new ATOM 1670 N THR A 107 -18.955 5.091 2.837 1.00 0.60 N ATOM 1671 CA THR A 107 -20.094 4.195 2.817 1.00 0.75 C ATOM 1672 C THR A 107 -21.359 4.947 2.428 1.00 0.82 C ATOM 1673 O THR A 107 -21.949 5.663 3.240 1.00 0.89 O ATOM 1674 CB THR A 107 -20.305 3.503 4.177 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.051 3.374 4.867 1.00 1.19 O ATOM 1676 CG2 THR A 107 -20.931 2.129 3.983 1.00 1.19 C ATOM 0 H THR A 107 -18.666 5.390 3.768 1.00 0.60 H new ATOM 0 HA THR A 107 -19.883 3.426 2.074 1.00 0.75 H new ATOM 0 HB THR A 107 -20.980 4.116 4.775 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.197 2.935 5.731 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.073 1.654 4.954 1.00 1.19 H new ATOM 0 HG22 THR A 107 -21.895 2.235 3.486 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.273 1.513 3.370 1.00 1.19 H new