USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 650 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 77 GLN : amide:sc= -0.0428 K(o=-0.012,f=-2.3!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 173:sc= 0.0304 (180deg=-0.000912) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 153:sc= -0.0682 (180deg=0) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -5.18! K(o=-5.2!,f=-3.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 32 THR OG1 : rot 57:sc= 0.902 USER MOD Single : A 37 GLN : amide:sc= -3.03 K(o=-3,f=-7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -1.05 (180deg=-1.67!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 44 TYR OH : rot 146:sc= 0.00157 USER MOD Single : A 45 TYR OH : rot 141:sc= -0.519 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.2!) USER MOD Single : A 57 SER OG : rot -70:sc= 0.59 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 162:sc= -1.12 (180deg=-2.57) USER MOD Single : A 78 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.099) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -171:sc= 0 (180deg=-0.00544) USER MOD Single : A 83 THR OG1 : rot 68:sc= 0.666 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 10 1.021 21.563 -2.944 1.00 35.21 N ATOM 97 CA ALA A 10 0.608 20.644 -3.996 1.00 64.12 C ATOM 98 C ALA A 10 1.074 19.223 -3.698 1.00 22.45 C ATOM 99 O ALA A 10 0.346 18.260 -3.931 1.00 64.23 O ATOM 100 CB ALA A 10 1.146 21.107 -5.342 1.00 22.35 C ATOM 0 HA ALA A 10 -0.481 20.640 -4.034 1.00 64.12 H new ATOM 0 HB1 ALA A 10 0.830 20.411 -6.119 1.00 22.35 H new ATOM 0 HB2 ALA A 10 0.759 22.101 -5.566 1.00 22.35 H new ATOM 0 HB3 ALA A 10 2.235 21.141 -5.306 1.00 22.35 H new ATOM 106 N GLU A 11 2.293 19.101 -3.182 1.00 40.01 N ATOM 107 CA GLU A 11 2.857 17.797 -2.855 1.00 71.25 C ATOM 108 C GLU A 11 2.198 17.218 -1.606 1.00 41.11 C ATOM 109 O GLU A 11 1.741 16.074 -1.606 1.00 12.43 O ATOM 110 CB GLU A 11 4.368 17.906 -2.643 1.00 43.42 C ATOM 111 CG GLU A 11 5.169 17.837 -3.930 1.00 63.41 C ATOM 112 CD GLU A 11 6.080 19.036 -4.118 1.00 73.25 C ATOM 113 OE1 GLU A 11 7.213 18.848 -4.608 1.00 32.31 O ATOM 114 OE2 GLU A 11 5.660 20.159 -3.773 1.00 1.10 O ATOM 0 H GLU A 11 2.909 19.889 -2.982 1.00 40.01 H new ATOM 0 HA GLU A 11 2.664 17.127 -3.693 1.00 71.25 H new ATOM 0 HB2 GLU A 11 4.589 18.846 -2.138 1.00 43.42 H new ATOM 0 HB3 GLU A 11 4.692 17.104 -1.980 1.00 43.42 H new ATOM 0 HG2 GLU A 11 5.768 16.927 -3.932 1.00 63.41 H new ATOM 0 HG3 GLU A 11 4.485 17.770 -4.776 1.00 63.41 H new ATOM 122 N ILE A 12 2.153 18.015 -0.545 1.00 41.40 N ATOM 123 CA ILE A 12 1.549 17.583 0.710 1.00 20.31 C ATOM 124 C ILE A 12 0.075 17.243 0.523 1.00 71.34 C ATOM 125 O ILE A 12 -0.386 16.180 0.940 1.00 21.04 O ATOM 126 CB ILE A 12 1.680 18.665 1.800 1.00 31.14 C ATOM 127 CG1 ILE A 12 3.149 18.863 2.178 1.00 31.43 C ATOM 128 CG2 ILE A 12 0.859 18.286 3.023 1.00 43.33 C ATOM 129 CD1 ILE A 12 3.412 20.147 2.933 1.00 41.40 C ATOM 0 H ILE A 12 2.527 18.964 -0.528 1.00 41.40 H new ATOM 0 HA ILE A 12 2.088 16.690 1.028 1.00 20.31 H new ATOM 0 HB ILE A 12 1.296 19.606 1.406 1.00 31.14 H new ATOM 0 HG12 ILE A 12 3.476 18.020 2.787 1.00 31.43 H new ATOM 0 HG13 ILE A 12 3.753 18.854 1.271 1.00 31.43 H new ATOM 0 HG21 ILE A 12 0.962 19.060 3.784 1.00 43.33 H new ATOM 0 HG22 ILE A 12 -0.190 18.190 2.742 1.00 43.33 H new ATOM 0 HG23 ILE A 12 1.216 17.336 3.421 1.00 43.33 H new ATOM 0 HD11 ILE A 12 4.474 20.220 3.168 1.00 41.40 H new ATOM 0 HD12 ILE A 12 3.117 20.997 2.318 1.00 41.40 H new ATOM 0 HD13 ILE A 12 2.835 20.150 3.858 1.00 41.40 H new ATOM 141 N LYS A 13 -0.660 18.150 -0.109 1.00 11.11 N ATOM 142 CA LYS A 13 -2.083 17.947 -0.355 1.00 52.51 C ATOM 143 C LYS A 13 -2.341 16.560 -0.937 1.00 50.22 C ATOM 144 O LYS A 13 -3.402 15.974 -0.721 1.00 65.42 O ATOM 145 CB LYS A 13 -2.616 19.018 -1.308 1.00 64.40 C ATOM 146 CG LYS A 13 -2.464 18.656 -2.776 1.00 4.53 C ATOM 147 CD LYS A 13 -3.713 17.980 -3.316 1.00 31.22 C ATOM 148 CE LYS A 13 -4.813 18.989 -3.608 1.00 14.45 C ATOM 149 NZ LYS A 13 -6.019 18.754 -2.768 1.00 54.44 N ATOM 0 H LYS A 13 -0.294 19.035 -0.461 1.00 11.11 H new ATOM 0 HA LYS A 13 -2.606 18.026 0.598 1.00 52.51 H new ATOM 0 HB2 LYS A 13 -3.670 19.192 -1.093 1.00 64.40 H new ATOM 0 HB3 LYS A 13 -2.093 19.955 -1.117 1.00 64.40 H new ATOM 0 HG2 LYS A 13 -2.258 19.557 -3.354 1.00 4.53 H new ATOM 0 HG3 LYS A 13 -1.608 17.994 -2.902 1.00 4.53 H new ATOM 0 HD2 LYS A 13 -3.467 17.435 -4.227 1.00 31.22 H new ATOM 0 HD3 LYS A 13 -4.073 17.248 -2.593 1.00 31.22 H new ATOM 0 HE2 LYS A 13 -4.438 19.997 -3.430 1.00 14.45 H new ATOM 0 HE3 LYS A 13 -5.088 18.932 -4.661 1.00 14.45 H new ATOM 0 HZ1 LYS A 13 -6.745 19.462 -2.997 1.00 54.44 H new ATOM 0 HZ2 LYS A 13 -6.393 17.802 -2.956 1.00 54.44 H new ATOM 0 HZ3 LYS A 13 -5.763 18.833 -1.763 1.00 54.44 H new ATOM 163 N ILE A 14 -1.364 16.042 -1.674 1.00 75.21 N ATOM 164 CA ILE A 14 -1.485 14.724 -2.284 1.00 12.11 C ATOM 165 C ILE A 14 -1.194 13.621 -1.272 1.00 33.32 C ATOM 166 O ILE A 14 -1.782 12.540 -1.331 1.00 33.54 O ATOM 167 CB ILE A 14 -0.532 14.569 -3.483 1.00 62.05 C ATOM 168 CG1 ILE A 14 -0.938 15.519 -4.612 1.00 64.32 C ATOM 169 CG2 ILE A 14 -0.527 13.129 -3.973 1.00 74.43 C ATOM 170 CD1 ILE A 14 0.121 15.677 -5.679 1.00 31.14 C ATOM 0 H ILE A 14 -0.480 16.515 -1.863 1.00 75.21 H new ATOM 0 HA ILE A 14 -2.513 14.631 -2.633 1.00 12.11 H new ATOM 0 HB ILE A 14 0.477 14.827 -3.161 1.00 62.05 H new ATOM 0 HG12 ILE A 14 -1.855 15.151 -5.073 1.00 64.32 H new ATOM 0 HG13 ILE A 14 -1.164 16.498 -4.189 1.00 64.32 H new ATOM 0 HG21 ILE A 14 0.151 13.036 -4.821 1.00 74.43 H new ATOM 0 HG22 ILE A 14 -0.195 12.472 -3.169 1.00 74.43 H new ATOM 0 HG23 ILE A 14 -1.534 12.846 -4.281 1.00 74.43 H new ATOM 0 HD11 ILE A 14 -0.235 16.364 -6.446 1.00 31.14 H new ATOM 0 HD12 ILE A 14 1.032 16.074 -5.231 1.00 31.14 H new ATOM 0 HD13 ILE A 14 0.331 14.707 -6.130 1.00 31.14 H new ATOM 182 N ILE A 15 -0.286 13.901 -0.344 1.00 10.33 N ATOM 183 CA ILE A 15 0.082 12.933 0.683 1.00 63.03 C ATOM 184 C ILE A 15 -1.011 12.814 1.740 1.00 51.33 C ATOM 185 O ILE A 15 -1.274 11.728 2.255 1.00 54.15 O ATOM 186 CB ILE A 15 1.405 13.317 1.369 1.00 55.21 C ATOM 187 CG1 ILE A 15 2.527 13.429 0.336 1.00 32.23 C ATOM 188 CG2 ILE A 15 1.763 12.295 2.438 1.00 70.21 C ATOM 189 CD1 ILE A 15 3.823 13.963 0.906 1.00 11.03 C ATOM 0 H ILE A 15 0.209 14.791 -0.282 1.00 10.33 H new ATOM 0 HA ILE A 15 0.208 11.973 0.183 1.00 63.03 H new ATOM 0 HB ILE A 15 1.280 14.288 1.848 1.00 55.21 H new ATOM 0 HG12 ILE A 15 2.709 12.446 -0.099 1.00 32.23 H new ATOM 0 HG13 ILE A 15 2.200 14.081 -0.474 1.00 32.23 H new ATOM 0 HG21 ILE A 15 2.701 12.580 2.914 1.00 70.21 H new ATOM 0 HG22 ILE A 15 0.972 12.260 3.187 1.00 70.21 H new ATOM 0 HG23 ILE A 15 1.873 11.312 1.980 1.00 70.21 H new ATOM 0 HD11 ILE A 15 4.573 14.015 0.117 1.00 11.03 H new ATOM 0 HD12 ILE A 15 3.657 14.959 1.316 1.00 11.03 H new ATOM 0 HD13 ILE A 15 4.174 13.299 1.697 1.00 11.03 H new ATOM 201 N ARG A 16 -1.646 13.938 2.057 1.00 34.23 N ATOM 202 CA ARG A 16 -2.710 13.959 3.052 1.00 41.35 C ATOM 203 C ARG A 16 -3.926 13.177 2.566 1.00 45.10 C ATOM 204 O ARG A 16 -4.779 12.779 3.358 1.00 20.13 O ATOM 205 CB ARG A 16 -3.111 15.401 3.372 1.00 61.51 C ATOM 206 CG ARG A 16 -3.925 16.064 2.271 1.00 14.51 C ATOM 207 CD ARG A 16 -4.627 17.316 2.775 1.00 73.23 C ATOM 208 NE ARG A 16 -5.985 17.035 3.235 1.00 22.42 N ATOM 209 CZ ARG A 16 -6.965 16.638 2.431 1.00 33.21 C ATOM 210 NH1 ARG A 16 -6.738 16.474 1.135 1.00 4.12 N ATOM 211 NH2 ARG A 16 -8.174 16.402 2.924 1.00 44.02 N ATOM 0 H ARG A 16 -1.442 14.846 1.639 1.00 34.23 H new ATOM 0 HA ARG A 16 -2.334 13.484 3.958 1.00 41.35 H new ATOM 0 HB2 ARG A 16 -3.688 15.412 4.297 1.00 61.51 H new ATOM 0 HB3 ARG A 16 -2.211 15.989 3.551 1.00 61.51 H new ATOM 0 HG2 ARG A 16 -3.271 16.322 1.438 1.00 14.51 H new ATOM 0 HG3 ARG A 16 -4.664 15.360 1.889 1.00 14.51 H new ATOM 0 HD2 ARG A 16 -4.051 17.751 3.591 1.00 73.23 H new ATOM 0 HD3 ARG A 16 -4.661 18.058 1.978 1.00 73.23 H new ATOM 0 HE ARG A 16 -6.192 17.150 4.227 1.00 22.42 H new ATOM 0 HH11 ARG A 16 -5.809 16.653 0.753 1.00 4.12 H new ATOM 0 HH12 ARG A 16 -7.492 16.169 0.520 1.00 4.12 H new ATOM 0 HH21 ARG A 16 -8.351 16.525 3.921 1.00 44.02 H new ATOM 0 HH22 ARG A 16 -8.926 16.097 2.306 1.00 44.02 H new ATOM 225 N GLU A 17 -3.999 12.964 1.254 1.00 55.12 N ATOM 226 CA GLU A 17 -5.112 12.230 0.662 1.00 22.14 C ATOM 227 C GLU A 17 -4.758 10.758 0.478 1.00 40.01 C ATOM 228 O GLU A 17 -5.488 9.872 0.923 1.00 1.13 O ATOM 229 CB GLU A 17 -5.496 12.846 -0.685 1.00 42.54 C ATOM 230 CG GLU A 17 -6.299 11.911 -1.574 1.00 52.24 C ATOM 231 CD GLU A 17 -7.563 12.556 -2.108 1.00 2.11 C ATOM 232 OE1 GLU A 17 -8.543 12.666 -1.341 1.00 24.30 O ATOM 233 OE2 GLU A 17 -7.574 12.950 -3.293 1.00 20.25 O ATOM 0 H GLU A 17 -3.302 13.289 0.583 1.00 55.12 H new ATOM 0 HA GLU A 17 -5.962 12.298 1.341 1.00 22.14 H new ATOM 0 HB2 GLU A 17 -6.075 13.753 -0.509 1.00 42.54 H new ATOM 0 HB3 GLU A 17 -4.589 13.144 -1.211 1.00 42.54 H new ATOM 0 HG2 GLU A 17 -5.679 11.589 -2.410 1.00 52.24 H new ATOM 0 HG3 GLU A 17 -6.563 11.016 -1.010 1.00 52.24 H new ATOM 241 N ALA A 18 -3.631 10.504 -0.180 1.00 72.01 N ATOM 242 CA ALA A 18 -3.178 9.140 -0.422 1.00 41.53 C ATOM 243 C ALA A 18 -3.022 8.373 0.886 1.00 12.41 C ATOM 244 O ALA A 18 -3.105 7.145 0.912 1.00 61.13 O ATOM 245 CB ALA A 18 -1.866 9.149 -1.192 1.00 55.00 C ATOM 0 H ALA A 18 -3.015 11.226 -0.555 1.00 72.01 H new ATOM 0 HA ALA A 18 -3.934 8.633 -1.021 1.00 41.53 H new ATOM 0 HB1 ALA A 18 -1.539 8.124 -1.366 1.00 55.00 H new ATOM 0 HB2 ALA A 18 -2.009 9.651 -2.149 1.00 55.00 H new ATOM 0 HB3 ALA A 18 -1.108 9.678 -0.614 1.00 55.00 H new ATOM 251 N TYR A 19 -2.794 9.105 1.971 1.00 0.32 N ATOM 252 CA TYR A 19 -2.621 8.494 3.284 1.00 30.24 C ATOM 253 C TYR A 19 -3.965 8.064 3.866 1.00 65.33 C ATOM 254 O TYR A 19 -4.076 7.011 4.494 1.00 22.34 O ATOM 255 CB TYR A 19 -1.929 9.469 4.238 1.00 52.34 C ATOM 256 CG TYR A 19 -1.915 9.002 5.676 1.00 22.51 C ATOM 257 CD1 TYR A 19 -1.466 7.730 6.010 1.00 51.23 C ATOM 258 CD2 TYR A 19 -2.351 9.833 6.701 1.00 14.45 C ATOM 259 CE1 TYR A 19 -1.453 7.299 7.322 1.00 10.21 C ATOM 260 CE2 TYR A 19 -2.339 9.412 8.016 1.00 73.14 C ATOM 261 CZ TYR A 19 -1.889 8.143 8.323 1.00 25.34 C ATOM 262 OH TYR A 19 -1.877 7.719 9.631 1.00 74.33 O ATOM 0 H TYR A 19 -2.725 10.123 1.967 1.00 0.32 H new ATOM 0 HA TYR A 19 -1.996 7.609 3.164 1.00 30.24 H new ATOM 0 HB2 TYR A 19 -0.903 9.623 3.905 1.00 52.34 H new ATOM 0 HB3 TYR A 19 -2.431 10.435 4.183 1.00 52.34 H new ATOM 0 HD1 TYR A 19 -1.121 7.067 5.230 1.00 51.23 H new ATOM 0 HD2 TYR A 19 -2.705 10.825 6.465 1.00 14.45 H new ATOM 0 HE1 TYR A 19 -1.103 6.306 7.563 1.00 10.21 H new ATOM 0 HE2 TYR A 19 -2.680 10.072 8.800 1.00 73.14 H new ATOM 0 HH TYR A 19 -2.214 8.434 10.210 1.00 74.33 H new ATOM 272 N LYS A 20 -4.986 8.887 3.650 1.00 11.15 N ATOM 273 CA LYS A 20 -6.323 8.594 4.150 1.00 43.33 C ATOM 274 C LYS A 20 -6.956 7.446 3.369 1.00 15.20 C ATOM 275 O LYS A 20 -7.377 6.445 3.950 1.00 14.21 O ATOM 276 CB LYS A 20 -7.210 9.839 4.054 1.00 43.24 C ATOM 277 CG LYS A 20 -8.646 9.597 4.485 1.00 52.23 C ATOM 278 CD LYS A 20 -9.613 10.491 3.729 1.00 63.13 C ATOM 279 CE LYS A 20 -9.835 11.810 4.453 1.00 44.23 C ATOM 280 NZ LYS A 20 -9.672 12.977 3.542 1.00 43.23 N ATOM 0 H LYS A 20 -4.912 9.762 3.132 1.00 11.15 H new ATOM 0 HA LYS A 20 -6.236 8.296 5.195 1.00 43.33 H new ATOM 0 HB2 LYS A 20 -6.782 10.628 4.672 1.00 43.24 H new ATOM 0 HB3 LYS A 20 -7.204 10.201 3.026 1.00 43.24 H new ATOM 0 HG2 LYS A 20 -8.907 8.552 4.315 1.00 52.23 H new ATOM 0 HG3 LYS A 20 -8.741 9.780 5.555 1.00 52.23 H new ATOM 0 HD2 LYS A 20 -9.225 10.685 2.729 1.00 63.13 H new ATOM 0 HD3 LYS A 20 -10.566 9.977 3.607 1.00 63.13 H new ATOM 0 HE2 LYS A 20 -10.836 11.823 4.885 1.00 44.23 H new ATOM 0 HE3 LYS A 20 -9.130 11.894 5.280 1.00 44.23 H new ATOM 0 HZ1 LYS A 20 -9.831 13.857 4.073 1.00 43.23 H new ATOM 0 HZ2 LYS A 20 -8.709 12.979 3.149 1.00 43.23 H new ATOM 0 HZ3 LYS A 20 -10.362 12.911 2.767 1.00 43.23 H new ATOM 294 N LYS A 21 -7.018 7.595 2.051 1.00 23.13 N ATOM 295 CA LYS A 21 -7.595 6.570 1.190 1.00 43.34 C ATOM 296 C LYS A 21 -6.838 5.254 1.329 1.00 72.32 C ATOM 297 O LYS A 21 -7.434 4.177 1.297 1.00 14.52 O ATOM 298 CB LYS A 21 -7.579 7.030 -0.269 1.00 1.14 C ATOM 299 CG LYS A 21 -8.180 8.409 -0.478 1.00 5.31 C ATOM 300 CD LYS A 21 -8.919 8.500 -1.803 1.00 34.31 C ATOM 301 CE LYS A 21 -8.182 7.753 -2.905 1.00 14.13 C ATOM 302 NZ LYS A 21 -8.138 8.537 -4.171 1.00 73.31 N ATOM 0 H LYS A 21 -6.675 8.417 1.555 1.00 23.13 H new ATOM 0 HA LYS A 21 -8.627 6.409 1.501 1.00 43.34 H new ATOM 0 HB2 LYS A 21 -6.550 7.033 -0.629 1.00 1.14 H new ATOM 0 HB3 LYS A 21 -8.127 6.308 -0.875 1.00 1.14 H new ATOM 0 HG2 LYS A 21 -8.866 8.636 0.338 1.00 5.31 H new ATOM 0 HG3 LYS A 21 -7.390 9.160 -0.449 1.00 5.31 H new ATOM 0 HD2 LYS A 21 -9.922 8.088 -1.691 1.00 34.31 H new ATOM 0 HD3 LYS A 21 -9.034 9.546 -2.085 1.00 34.31 H new ATOM 0 HE2 LYS A 21 -7.166 7.533 -2.578 1.00 14.13 H new ATOM 0 HE3 LYS A 21 -8.672 6.797 -3.087 1.00 14.13 H new ATOM 0 HZ1 LYS A 21 -7.300 8.261 -4.721 1.00 73.31 H new ATOM 0 HZ2 LYS A 21 -8.996 8.346 -4.727 1.00 73.31 H new ATOM 0 HZ3 LYS A 21 -8.088 9.552 -3.949 1.00 73.31 H new ATOM 316 N ALA A 22 -5.521 5.347 1.482 1.00 12.31 N ATOM 317 CA ALA A 22 -4.683 4.163 1.627 1.00 4.52 C ATOM 318 C ALA A 22 -5.020 3.408 2.908 1.00 72.44 C ATOM 319 O ALA A 22 -4.942 2.179 2.954 1.00 60.01 O ATOM 320 CB ALA A 22 -3.213 4.554 1.615 1.00 25.41 C ATOM 0 H ALA A 22 -5.011 6.230 1.509 1.00 12.31 H new ATOM 0 HA ALA A 22 -4.879 3.502 0.783 1.00 4.52 H new ATOM 0 HB1 ALA A 22 -2.598 3.661 1.724 1.00 25.41 H new ATOM 0 HB2 ALA A 22 -2.975 5.046 0.672 1.00 25.41 H new ATOM 0 HB3 ALA A 22 -3.011 5.236 2.441 1.00 25.41 H new ATOM 326 N PHE A 23 -5.393 4.148 3.946 1.00 54.13 N ATOM 327 CA PHE A 23 -5.741 3.546 5.229 1.00 24.21 C ATOM 328 C PHE A 23 -7.240 3.268 5.311 1.00 70.50 C ATOM 329 O PHE A 23 -7.684 2.422 6.089 1.00 44.32 O ATOM 330 CB PHE A 23 -5.317 4.463 6.377 1.00 73.21 C ATOM 331 CG PHE A 23 -4.094 3.983 7.105 1.00 15.51 C ATOM 332 CD1 PHE A 23 -4.205 3.089 8.160 1.00 32.44 C ATOM 333 CD2 PHE A 23 -2.834 4.427 6.739 1.00 54.10 C ATOM 334 CE1 PHE A 23 -3.082 2.646 8.832 1.00 74.35 C ATOM 335 CE2 PHE A 23 -1.707 3.986 7.408 1.00 42.01 C ATOM 336 CZ PHE A 23 -1.832 3.095 8.456 1.00 32.24 C ATOM 0 H PHE A 23 -5.462 5.165 3.925 1.00 54.13 H new ATOM 0 HA PHE A 23 -5.209 2.598 5.314 1.00 24.21 H new ATOM 0 HB2 PHE A 23 -5.128 5.462 5.983 1.00 73.21 H new ATOM 0 HB3 PHE A 23 -6.141 4.551 7.085 1.00 73.21 H new ATOM 0 HD1 PHE A 23 -5.180 2.735 8.459 1.00 32.44 H new ATOM 0 HD2 PHE A 23 -2.731 5.126 5.922 1.00 54.10 H new ATOM 0 HE1 PHE A 23 -3.182 1.949 9.651 1.00 74.35 H new ATOM 0 HE2 PHE A 23 -0.730 4.338 7.111 1.00 42.01 H new ATOM 0 HZ PHE A 23 -0.953 2.750 8.980 1.00 32.24 H new ATOM 346 N LEU A 24 -8.014 3.986 4.505 1.00 23.35 N ATOM 347 CA LEU A 24 -9.462 3.819 4.485 1.00 14.11 C ATOM 348 C LEU A 24 -9.846 2.457 3.917 1.00 62.42 C ATOM 349 O LEU A 24 -10.626 1.719 4.517 1.00 44.15 O ATOM 350 CB LEU A 24 -10.113 4.931 3.661 1.00 54.30 C ATOM 351 CG LEU A 24 -11.040 4.475 2.533 1.00 42.20 C ATOM 352 CD1 LEU A 24 -12.203 3.670 3.092 1.00 43.43 C ATOM 353 CD2 LEU A 24 -11.548 5.673 1.743 1.00 33.42 C ATOM 0 H LEU A 24 -7.662 4.690 3.856 1.00 23.35 H new ATOM 0 HA LEU A 24 -9.823 3.878 5.512 1.00 14.11 H new ATOM 0 HB2 LEU A 24 -10.682 5.570 4.336 1.00 54.30 H new ATOM 0 HB3 LEU A 24 -9.323 5.546 3.229 1.00 54.30 H new ATOM 0 HG LEU A 24 -10.473 3.835 1.858 1.00 42.20 H new ATOM 0 HD11 LEU A 24 -12.852 3.354 2.276 1.00 43.43 H new ATOM 0 HD12 LEU A 24 -11.821 2.792 3.613 1.00 43.43 H new ATOM 0 HD13 LEU A 24 -12.771 4.287 3.789 1.00 43.43 H new ATOM 0 HD21 LEU A 24 -12.206 5.330 0.945 1.00 33.42 H new ATOM 0 HD22 LEU A 24 -12.099 6.339 2.407 1.00 33.42 H new ATOM 0 HD23 LEU A 24 -10.703 6.209 1.311 1.00 33.42 H new ATOM 365 N PHE A 25 -9.290 2.129 2.755 1.00 64.45 N ATOM 366 CA PHE A 25 -9.573 0.855 2.104 1.00 60.02 C ATOM 367 C PHE A 25 -8.972 -0.304 2.894 1.00 74.33 C ATOM 368 O PHE A 25 -9.372 -1.456 2.730 1.00 62.42 O ATOM 369 CB PHE A 25 -9.023 0.854 0.677 1.00 13.02 C ATOM 370 CG PHE A 25 -9.967 1.444 -0.332 1.00 54.41 C ATOM 371 CD1 PHE A 25 -10.956 0.667 -0.910 1.00 64.41 C ATOM 372 CD2 PHE A 25 -9.866 2.776 -0.698 1.00 34.33 C ATOM 373 CE1 PHE A 25 -11.828 1.206 -1.838 1.00 23.51 C ATOM 374 CE2 PHE A 25 -10.734 3.321 -1.625 1.00 2.43 C ATOM 375 CZ PHE A 25 -11.716 2.534 -2.197 1.00 2.43 C ATOM 0 H PHE A 25 -8.641 2.728 2.245 1.00 64.45 H new ATOM 0 HA PHE A 25 -10.655 0.726 2.069 1.00 60.02 H new ATOM 0 HB2 PHE A 25 -8.087 1.413 0.657 1.00 13.02 H new ATOM 0 HB3 PHE A 25 -8.789 -0.170 0.388 1.00 13.02 H new ATOM 0 HD1 PHE A 25 -11.048 -0.373 -0.633 1.00 64.41 H new ATOM 0 HD2 PHE A 25 -9.101 3.395 -0.254 1.00 34.33 H new ATOM 0 HE1 PHE A 25 -12.595 0.589 -2.281 1.00 23.51 H new ATOM 0 HE2 PHE A 25 -10.645 4.361 -1.902 1.00 2.43 H new ATOM 0 HZ PHE A 25 -12.394 2.957 -2.923 1.00 2.43 H new ATOM 385 N VAL A 26 -8.007 0.010 3.754 1.00 62.52 N ATOM 386 CA VAL A 26 -7.351 -1.003 4.570 1.00 55.12 C ATOM 387 C VAL A 26 -8.273 -1.498 5.679 1.00 3.14 C ATOM 388 O VAL A 26 -8.530 -2.695 5.799 1.00 21.22 O ATOM 389 CB VAL A 26 -6.053 -0.463 5.200 1.00 25.23 C ATOM 390 CG1 VAL A 26 -5.584 -1.375 6.323 1.00 44.32 C ATOM 391 CG2 VAL A 26 -4.972 -0.310 4.140 1.00 10.52 C ATOM 0 H VAL A 26 -7.663 0.959 3.903 1.00 62.52 H new ATOM 0 HA VAL A 26 -7.107 -1.833 3.907 1.00 55.12 H new ATOM 0 HB VAL A 26 -6.257 0.520 5.625 1.00 25.23 H new ATOM 0 HG11 VAL A 26 -4.666 -0.977 6.756 1.00 44.32 H new ATOM 0 HG12 VAL A 26 -6.354 -1.430 7.093 1.00 44.32 H new ATOM 0 HG13 VAL A 26 -5.396 -2.373 5.927 1.00 44.32 H new ATOM 0 HG21 VAL A 26 -4.062 0.072 4.601 1.00 10.52 H new ATOM 0 HG22 VAL A 26 -4.769 -1.279 3.685 1.00 10.52 H new ATOM 0 HG23 VAL A 26 -5.310 0.387 3.373 1.00 10.52 H new ATOM 401 N ASN A 27 -8.768 -0.567 6.488 1.00 64.13 N ATOM 402 CA ASN A 27 -9.663 -0.909 7.588 1.00 3.53 C ATOM 403 C ASN A 27 -10.826 -1.765 7.098 1.00 4.33 C ATOM 404 O ASN A 27 -11.493 -2.436 7.886 1.00 74.35 O ATOM 405 CB ASN A 27 -10.196 0.364 8.254 1.00 64.52 C ATOM 406 CG ASN A 27 -9.760 0.485 9.701 1.00 43.14 C ATOM 407 OD1 ASN A 27 -9.383 -0.503 10.331 1.00 13.30 O ATOM 408 ND2 ASN A 27 -9.813 1.699 10.233 1.00 1.43 N ATOM 0 H ASN A 27 -8.565 0.429 6.403 1.00 64.13 H new ATOM 0 HA ASN A 27 -9.096 -1.484 8.320 1.00 3.53 H new ATOM 0 HB2 ASN A 27 -9.848 1.235 7.698 1.00 64.52 H new ATOM 0 HB3 ASN A 27 -11.285 0.369 8.204 1.00 64.52 H new ATOM 0 HD21 ASN A 27 -9.534 1.843 11.204 1.00 1.43 H new ATOM 0 HD22 ASN A 27 -10.132 2.488 9.672 1.00 1.43 H new ATOM 415 N LYS A 28 -11.064 -1.738 5.791 1.00 24.41 N ATOM 416 CA LYS A 28 -12.145 -2.512 5.194 1.00 42.24 C ATOM 417 C LYS A 28 -11.694 -3.940 4.898 1.00 3.44 C ATOM 418 O LYS A 28 -12.392 -4.900 5.217 1.00 62.42 O ATOM 419 CB LYS A 28 -12.629 -1.843 3.906 1.00 33.44 C ATOM 420 CG LYS A 28 -13.179 -0.443 4.117 1.00 1.14 C ATOM 421 CD LYS A 28 -13.828 0.098 2.853 1.00 12.55 C ATOM 422 CE LYS A 28 -14.713 1.299 3.153 1.00 15.13 C ATOM 423 NZ LYS A 28 -15.679 1.563 2.052 1.00 21.31 N ATOM 0 H LYS A 28 -10.522 -1.188 5.125 1.00 24.41 H new ATOM 0 HA LYS A 28 -12.967 -2.550 5.908 1.00 42.24 H new ATOM 0 HB2 LYS A 28 -11.802 -1.796 3.198 1.00 33.44 H new ATOM 0 HB3 LYS A 28 -13.402 -2.463 3.453 1.00 33.44 H new ATOM 0 HG2 LYS A 28 -13.910 -0.456 4.925 1.00 1.14 H new ATOM 0 HG3 LYS A 28 -12.373 0.223 4.427 1.00 1.14 H new ATOM 0 HD2 LYS A 28 -13.055 0.383 2.139 1.00 12.55 H new ATOM 0 HD3 LYS A 28 -14.423 -0.686 2.384 1.00 12.55 H new ATOM 0 HE2 LYS A 28 -15.258 1.126 4.081 1.00 15.13 H new ATOM 0 HE3 LYS A 28 -14.090 2.180 3.309 1.00 15.13 H new ATOM 0 HZ1 LYS A 28 -16.264 2.388 2.294 1.00 21.31 H new ATOM 0 HZ2 LYS A 28 -15.159 1.753 1.172 1.00 21.31 H new ATOM 0 HZ3 LYS A 28 -16.291 0.732 1.920 1.00 21.31 H new ATOM 437 N GLY A 29 -10.519 -4.069 4.289 1.00 74.42 N ATOM 438 CA GLY A 29 -9.994 -5.382 3.962 1.00 63.10 C ATOM 439 C GLY A 29 -9.956 -6.306 5.163 1.00 74.45 C ATOM 440 O GLY A 29 -10.297 -7.486 5.060 1.00 64.21 O ATOM 0 H GLY A 29 -9.922 -3.288 4.016 1.00 74.42 H new ATOM 0 HA2 GLY A 29 -10.608 -5.831 3.181 1.00 63.10 H new ATOM 0 HA3 GLY A 29 -8.988 -5.277 3.556 1.00 63.10 H new ATOM 444 N LEU A 30 -9.541 -5.773 6.307 1.00 23.52 N ATOM 445 CA LEU A 30 -9.460 -6.559 7.533 1.00 23.35 C ATOM 446 C LEU A 30 -10.834 -7.079 7.938 1.00 61.13 C ATOM 447 O LEU A 30 -10.985 -8.246 8.296 1.00 41.21 O ATOM 448 CB LEU A 30 -8.868 -5.715 8.663 1.00 33.43 C ATOM 449 CG LEU A 30 -7.388 -5.349 8.524 1.00 42.10 C ATOM 450 CD1 LEU A 30 -6.936 -4.499 9.701 1.00 13.41 C ATOM 451 CD2 LEU A 30 -6.537 -6.604 8.412 1.00 73.41 C ATOM 0 H LEU A 30 -9.255 -4.799 6.411 1.00 23.52 H new ATOM 0 HA LEU A 30 -8.810 -7.414 7.346 1.00 23.35 H new ATOM 0 HB2 LEU A 30 -9.444 -4.793 8.741 1.00 33.43 H new ATOM 0 HB3 LEU A 30 -9.002 -6.254 9.601 1.00 33.43 H new ATOM 0 HG LEU A 30 -7.261 -4.766 7.612 1.00 42.10 H new ATOM 0 HD11 LEU A 30 -5.882 -4.248 9.585 1.00 13.41 H new ATOM 0 HD12 LEU A 30 -7.525 -3.583 9.735 1.00 13.41 H new ATOM 0 HD13 LEU A 30 -7.077 -5.056 10.627 1.00 13.41 H new ATOM 0 HD21 LEU A 30 -5.488 -6.325 8.314 1.00 73.41 H new ATOM 0 HD22 LEU A 30 -6.668 -7.214 9.306 1.00 73.41 H new ATOM 0 HD23 LEU A 30 -6.844 -7.175 7.536 1.00 73.41 H new ATOM 463 N ASN A 31 -11.834 -6.206 7.877 1.00 41.40 N ATOM 464 CA ASN A 31 -13.198 -6.579 8.237 1.00 12.05 C ATOM 465 C ASN A 31 -13.683 -7.751 7.390 1.00 35.21 C ATOM 466 O ASN A 31 -13.969 -8.830 7.909 1.00 50.13 O ATOM 467 CB ASN A 31 -14.138 -5.385 8.062 1.00 60.13 C ATOM 468 CG ASN A 31 -15.580 -5.734 8.376 1.00 23.41 C ATOM 469 OD1 ASN A 31 -15.999 -5.707 9.533 1.00 72.03 O ATOM 470 ND2 ASN A 31 -16.347 -6.062 7.342 1.00 51.11 N ATOM 0 H ASN A 31 -11.726 -5.236 7.582 1.00 41.40 H new ATOM 0 HA ASN A 31 -13.201 -6.885 9.283 1.00 12.05 H new ATOM 0 HB2 ASN A 31 -13.814 -4.572 8.712 1.00 60.13 H new ATOM 0 HB3 ASN A 31 -14.070 -5.020 7.037 1.00 60.13 H new ATOM 0 HD21 ASN A 31 -17.326 -6.305 7.490 1.00 51.11 H new ATOM 0 HD22 ASN A 31 -15.956 -6.071 6.400 1.00 51.11 H new ATOM 477 N THR A 32 -13.770 -7.532 6.081 1.00 34.01 N ATOM 478 CA THR A 32 -14.219 -8.569 5.161 1.00 44.13 C ATOM 479 C THR A 32 -13.669 -9.934 5.559 1.00 74.13 C ATOM 480 O THR A 32 -14.427 -10.878 5.787 1.00 4.03 O ATOM 481 CB THR A 32 -13.796 -8.259 3.715 1.00 24.52 C ATOM 482 OG1 THR A 32 -12.763 -7.267 3.708 1.00 24.33 O ATOM 483 CG2 THR A 32 -14.980 -7.768 2.895 1.00 52.25 C ATOM 0 H THR A 32 -13.535 -6.645 5.635 1.00 34.01 H new ATOM 0 HA THR A 32 -15.307 -8.590 5.216 1.00 44.13 H new ATOM 0 HB THR A 32 -13.421 -9.179 3.267 1.00 24.52 H new ATOM 0 HG1 THR A 32 -12.009 -7.576 4.252 1.00 24.33 H new ATOM 0 HG21 THR A 32 -14.654 -7.556 1.877 1.00 52.25 H new ATOM 0 HG22 THR A 32 -15.753 -8.536 2.876 1.00 52.25 H new ATOM 0 HG23 THR A 32 -15.382 -6.860 3.344 1.00 52.25 H new ATOM 491 N ASP A 33 -12.348 -10.032 5.640 1.00 21.42 N ATOM 492 CA ASP A 33 -11.694 -11.281 6.012 1.00 74.14 C ATOM 493 C ASP A 33 -12.377 -11.913 7.221 1.00 43.14 C ATOM 494 O ASP A 33 -12.600 -13.123 7.258 1.00 13.23 O ATOM 495 CB ASP A 33 -10.215 -11.039 6.317 1.00 21.14 C ATOM 496 CG ASP A 33 -9.449 -12.329 6.531 1.00 12.14 C ATOM 497 OD1 ASP A 33 -9.507 -12.875 7.652 1.00 50.11 O ATOM 498 OD2 ASP A 33 -8.790 -12.791 5.576 1.00 14.43 O ATOM 0 H ASP A 33 -11.707 -9.261 5.453 1.00 21.42 H new ATOM 0 HA ASP A 33 -11.775 -11.968 5.169 1.00 74.14 H new ATOM 0 HB2 ASP A 33 -9.764 -10.484 5.495 1.00 21.14 H new ATOM 0 HB3 ASP A 33 -10.128 -10.416 7.207 1.00 21.14 H new ATOM 504 N GLU A 34 -12.708 -11.085 8.207 1.00 41.14 N ATOM 505 CA GLU A 34 -13.366 -11.563 9.418 1.00 60.22 C ATOM 506 C GLU A 34 -14.779 -12.052 9.113 1.00 71.02 C ATOM 507 O GLU A 34 -15.234 -13.056 9.663 1.00 75.22 O ATOM 508 CB GLU A 34 -13.413 -10.455 10.471 1.00 53.54 C ATOM 509 CG GLU A 34 -14.789 -9.828 10.631 1.00 13.42 C ATOM 510 CD GLU A 34 -14.779 -8.636 11.569 1.00 3.32 C ATOM 511 OE1 GLU A 34 -15.870 -8.231 12.024 1.00 71.02 O ATOM 512 OE2 GLU A 34 -13.683 -8.105 11.845 1.00 63.43 O ATOM 0 H GLU A 34 -12.531 -10.081 8.191 1.00 41.14 H new ATOM 0 HA GLU A 34 -12.788 -12.400 9.809 1.00 60.22 H new ATOM 0 HB2 GLU A 34 -13.095 -10.863 11.430 1.00 53.54 H new ATOM 0 HB3 GLU A 34 -12.698 -9.678 10.202 1.00 53.54 H new ATOM 0 HG2 GLU A 34 -15.158 -9.514 9.654 1.00 13.42 H new ATOM 0 HG3 GLU A 34 -15.485 -10.578 11.009 1.00 13.42 H new ATOM 520 N LEU A 35 -15.469 -11.335 8.234 1.00 63.32 N ATOM 521 CA LEU A 35 -16.832 -11.694 7.855 1.00 52.02 C ATOM 522 C LEU A 35 -16.857 -13.026 7.113 1.00 74.23 C ATOM 523 O LEU A 35 -17.826 -13.781 7.203 1.00 74.32 O ATOM 524 CB LEU A 35 -17.445 -10.599 6.980 1.00 4.24 C ATOM 525 CG LEU A 35 -18.195 -9.491 7.721 1.00 62.22 C ATOM 526 CD1 LEU A 35 -17.326 -8.901 8.821 1.00 40.52 C ATOM 527 CD2 LEU A 35 -18.638 -8.407 6.749 1.00 14.24 C ATOM 0 H LEU A 35 -15.108 -10.502 7.770 1.00 63.32 H new ATOM 0 HA LEU A 35 -17.421 -11.795 8.766 1.00 52.02 H new ATOM 0 HB2 LEU A 35 -16.648 -10.142 6.393 1.00 4.24 H new ATOM 0 HB3 LEU A 35 -18.132 -11.067 6.275 1.00 4.24 H new ATOM 0 HG LEU A 35 -19.083 -9.924 8.182 1.00 62.22 H new ATOM 0 HD11 LEU A 35 -17.876 -8.114 9.337 1.00 40.52 H new ATOM 0 HD12 LEU A 35 -17.058 -9.683 9.532 1.00 40.52 H new ATOM 0 HD13 LEU A 35 -16.420 -8.482 8.384 1.00 40.52 H new ATOM 0 HD21 LEU A 35 -19.170 -7.626 7.293 1.00 14.24 H new ATOM 0 HD22 LEU A 35 -17.764 -7.977 6.260 1.00 14.24 H new ATOM 0 HD23 LEU A 35 -19.298 -8.840 5.997 1.00 14.24 H new ATOM 539 N GLY A 36 -15.785 -13.312 6.380 1.00 2.31 N ATOM 540 CA GLY A 36 -15.704 -14.554 5.635 1.00 63.11 C ATOM 541 C GLY A 36 -15.719 -14.333 4.135 1.00 3.43 C ATOM 542 O GLY A 36 -16.125 -15.211 3.376 1.00 52.24 O ATOM 0 H GLY A 36 -14.971 -12.705 6.289 1.00 2.31 H new ATOM 0 HA2 GLY A 36 -14.791 -15.081 5.912 1.00 63.11 H new ATOM 0 HA3 GLY A 36 -16.540 -15.196 5.913 1.00 63.11 H new ATOM 546 N GLN A 37 -15.275 -13.155 3.708 1.00 24.33 N ATOM 547 CA GLN A 37 -15.241 -12.820 2.289 1.00 63.05 C ATOM 548 C GLN A 37 -13.807 -12.629 1.808 1.00 74.01 C ATOM 549 O GLN A 37 -13.312 -11.504 1.727 1.00 73.14 O ATOM 550 CB GLN A 37 -16.054 -11.552 2.023 1.00 41.23 C ATOM 551 CG GLN A 37 -17.312 -11.446 2.870 1.00 41.15 C ATOM 552 CD GLN A 37 -18.067 -12.758 2.960 1.00 74.42 C ATOM 553 OE1 GLN A 37 -17.865 -13.661 2.148 1.00 21.41 O ATOM 554 NE2 GLN A 37 -18.943 -12.870 3.952 1.00 42.22 N ATOM 0 H GLN A 37 -14.934 -12.417 4.324 1.00 24.33 H new ATOM 0 HA GLN A 37 -15.682 -13.649 1.736 1.00 63.05 H new ATOM 0 HB2 GLN A 37 -15.425 -10.682 2.211 1.00 41.23 H new ATOM 0 HB3 GLN A 37 -16.332 -11.523 0.969 1.00 41.23 H new ATOM 0 HG2 GLN A 37 -17.043 -11.116 3.874 1.00 41.15 H new ATOM 0 HG3 GLN A 37 -17.966 -10.683 2.448 1.00 41.15 H new ATOM 0 HE21 GLN A 37 -19.079 -12.096 4.602 1.00 42.22 H new ATOM 0 HE22 GLN A 37 -19.480 -13.730 4.063 1.00 42.22 H new ATOM 563 N LYS A 38 -13.142 -13.734 1.490 1.00 14.42 N ATOM 564 CA LYS A 38 -11.764 -13.690 1.017 1.00 71.21 C ATOM 565 C LYS A 38 -11.658 -12.884 -0.273 1.00 32.24 C ATOM 566 O LYS A 38 -10.879 -11.935 -0.359 1.00 23.21 O ATOM 567 CB LYS A 38 -11.235 -15.108 0.789 1.00 74.15 C ATOM 568 CG LYS A 38 -10.991 -15.880 2.075 1.00 44.03 C ATOM 569 CD LYS A 38 -12.247 -15.959 2.925 1.00 50.14 C ATOM 570 CE LYS A 38 -12.058 -16.889 4.115 1.00 64.12 C ATOM 571 NZ LYS A 38 -13.215 -17.812 4.287 1.00 11.31 N ATOM 0 H LYS A 38 -13.536 -14.673 1.551 1.00 14.42 H new ATOM 0 HA LYS A 38 -11.159 -13.202 1.781 1.00 71.21 H new ATOM 0 HB2 LYS A 38 -11.947 -15.658 0.174 1.00 74.15 H new ATOM 0 HB3 LYS A 38 -10.304 -15.053 0.226 1.00 74.15 H new ATOM 0 HG2 LYS A 38 -10.648 -16.887 1.836 1.00 44.03 H new ATOM 0 HG3 LYS A 38 -10.195 -15.399 2.644 1.00 44.03 H new ATOM 0 HD2 LYS A 38 -12.511 -14.963 3.279 1.00 50.14 H new ATOM 0 HD3 LYS A 38 -13.079 -16.311 2.315 1.00 50.14 H new ATOM 0 HE2 LYS A 38 -11.146 -17.471 3.980 1.00 64.12 H new ATOM 0 HE3 LYS A 38 -11.927 -16.297 5.021 1.00 64.12 H new ATOM 0 HZ1 LYS A 38 -13.048 -18.429 5.108 1.00 11.31 H new ATOM 0 HZ2 LYS A 38 -14.081 -17.258 4.441 1.00 11.31 H new ATOM 0 HZ3 LYS A 38 -13.324 -18.395 3.432 1.00 11.31 H new ATOM 585 N GLU A 39 -12.447 -13.268 -1.272 1.00 25.14 N ATOM 586 CA GLU A 39 -12.441 -12.577 -2.558 1.00 52.11 C ATOM 587 C GLU A 39 -12.359 -11.066 -2.364 1.00 43.25 C ATOM 588 O GLU A 39 -11.344 -10.445 -2.676 1.00 64.55 O ATOM 589 CB GLU A 39 -13.694 -12.934 -3.357 1.00 44.12 C ATOM 590 CG GLU A 39 -14.822 -13.495 -2.507 1.00 51.10 C ATOM 591 CD GLU A 39 -16.192 -13.075 -3.002 1.00 73.22 C ATOM 592 OE1 GLU A 39 -16.705 -12.042 -2.524 1.00 54.42 O ATOM 593 OE2 GLU A 39 -16.751 -13.781 -3.868 1.00 44.41 O ATOM 0 H GLU A 39 -13.097 -14.052 -1.217 1.00 25.14 H new ATOM 0 HA GLU A 39 -11.560 -12.901 -3.113 1.00 52.11 H new ATOM 0 HB2 GLU A 39 -14.050 -12.043 -3.875 1.00 44.12 H new ATOM 0 HB3 GLU A 39 -13.430 -13.664 -4.122 1.00 44.12 H new ATOM 0 HG2 GLU A 39 -14.760 -14.583 -2.501 1.00 51.10 H new ATOM 0 HG3 GLU A 39 -14.695 -13.163 -1.477 1.00 51.10 H new ATOM 601 N GLU A 40 -13.436 -10.483 -1.847 1.00 33.32 N ATOM 602 CA GLU A 40 -13.487 -9.044 -1.612 1.00 31.01 C ATOM 603 C GLU A 40 -12.240 -8.570 -0.874 1.00 31.33 C ATOM 604 O GLU A 40 -11.563 -7.638 -1.310 1.00 73.24 O ATOM 605 CB GLU A 40 -14.738 -8.680 -0.811 1.00 10.12 C ATOM 606 CG GLU A 40 -15.923 -8.290 -1.676 1.00 65.50 C ATOM 607 CD GLU A 40 -16.739 -7.162 -1.075 1.00 50.21 C ATOM 608 OE1 GLU A 40 -16.215 -6.031 -0.992 1.00 11.42 O ATOM 609 OE2 GLU A 40 -17.901 -7.409 -0.689 1.00 22.43 O ATOM 0 H GLU A 40 -14.284 -10.984 -1.583 1.00 33.32 H new ATOM 0 HA GLU A 40 -13.527 -8.544 -2.580 1.00 31.01 H new ATOM 0 HB2 GLU A 40 -15.019 -9.528 -0.186 1.00 10.12 H new ATOM 0 HB3 GLU A 40 -14.502 -7.854 -0.140 1.00 10.12 H new ATOM 0 HG2 GLU A 40 -15.566 -7.990 -2.661 1.00 65.50 H new ATOM 0 HG3 GLU A 40 -16.564 -9.160 -1.821 1.00 65.50 H new ATOM 617 N ALA A 41 -11.942 -9.216 0.249 1.00 3.13 N ATOM 618 CA ALA A 41 -10.775 -8.859 1.048 1.00 53.44 C ATOM 619 C ALA A 41 -9.544 -8.672 0.169 1.00 71.40 C ATOM 620 O ALA A 41 -8.816 -7.687 0.303 1.00 73.14 O ATOM 621 CB ALA A 41 -10.515 -9.925 2.105 1.00 4.41 C ATOM 0 H ALA A 41 -12.492 -9.988 0.626 1.00 3.13 H new ATOM 0 HA ALA A 41 -10.981 -7.911 1.545 1.00 53.44 H new ATOM 0 HB1 ALA A 41 -9.642 -9.647 2.695 1.00 4.41 H new ATOM 0 HB2 ALA A 41 -11.383 -10.008 2.759 1.00 4.41 H new ATOM 0 HB3 ALA A 41 -10.334 -10.883 1.618 1.00 4.41 H new ATOM 627 N LYS A 42 -9.314 -9.622 -0.731 1.00 72.11 N ATOM 628 CA LYS A 42 -8.171 -9.562 -1.633 1.00 75.21 C ATOM 629 C LYS A 42 -8.229 -8.310 -2.502 1.00 31.40 C ATOM 630 O LYS A 42 -7.206 -7.677 -2.763 1.00 1.51 O ATOM 631 CB LYS A 42 -8.130 -10.809 -2.520 1.00 31.22 C ATOM 632 CG LYS A 42 -7.180 -11.882 -2.015 1.00 22.01 C ATOM 633 CD LYS A 42 -7.802 -13.266 -2.111 1.00 42.21 C ATOM 634 CE LYS A 42 -8.024 -13.679 -3.557 1.00 52.15 C ATOM 635 NZ LYS A 42 -9.474 -13.790 -3.886 1.00 21.45 N ATOM 0 H LYS A 42 -9.905 -10.444 -0.855 1.00 72.11 H new ATOM 0 HA LYS A 42 -7.265 -9.522 -1.029 1.00 75.21 H new ATOM 0 HB2 LYS A 42 -9.134 -11.228 -2.591 1.00 31.22 H new ATOM 0 HB3 LYS A 42 -7.834 -10.518 -3.528 1.00 31.22 H new ATOM 0 HG2 LYS A 42 -6.258 -11.855 -2.595 1.00 22.01 H new ATOM 0 HG3 LYS A 42 -6.911 -11.674 -0.979 1.00 22.01 H new ATOM 0 HD2 LYS A 42 -7.154 -13.992 -1.620 1.00 42.21 H new ATOM 0 HD3 LYS A 42 -8.753 -13.276 -1.579 1.00 42.21 H new ATOM 0 HE2 LYS A 42 -7.556 -12.950 -4.219 1.00 52.15 H new ATOM 0 HE3 LYS A 42 -7.536 -14.636 -3.741 1.00 52.15 H new ATOM 0 HZ1 LYS A 42 -9.595 -14.394 -4.724 1.00 21.45 H new ATOM 0 HZ2 LYS A 42 -9.982 -14.209 -3.081 1.00 21.45 H new ATOM 0 HZ3 LYS A 42 -9.859 -12.844 -4.083 1.00 21.45 H new ATOM 649 N ASN A 43 -9.430 -7.958 -2.945 1.00 44.44 N ATOM 650 CA ASN A 43 -9.622 -6.780 -3.783 1.00 21.54 C ATOM 651 C ASN A 43 -9.315 -5.504 -3.007 1.00 0.34 C ATOM 652 O ASN A 43 -8.610 -4.620 -3.496 1.00 1.01 O ATOM 653 CB ASN A 43 -11.055 -6.734 -4.316 1.00 25.43 C ATOM 654 CG ASN A 43 -11.377 -5.417 -4.998 1.00 1.15 C ATOM 655 OD1 ASN A 43 -10.564 -4.881 -5.752 1.00 72.35 O ATOM 656 ND2 ASN A 43 -12.567 -4.891 -4.736 1.00 12.14 N ATOM 0 H ASN A 43 -10.286 -8.472 -2.738 1.00 44.44 H new ATOM 0 HA ASN A 43 -8.931 -6.848 -4.624 1.00 21.54 H new ATOM 0 HB2 ASN A 43 -11.204 -7.551 -5.022 1.00 25.43 H new ATOM 0 HB3 ASN A 43 -11.751 -6.893 -3.493 1.00 25.43 H new ATOM 0 HD21 ASN A 43 -12.840 -4.007 -5.166 1.00 12.14 H new ATOM 0 HD22 ASN A 43 -13.209 -5.371 -4.105 1.00 12.14 H new ATOM 663 N TYR A 44 -9.847 -5.413 -1.792 1.00 60.34 N ATOM 664 CA TYR A 44 -9.632 -4.245 -0.948 1.00 71.24 C ATOM 665 C TYR A 44 -8.145 -3.928 -0.824 1.00 14.32 C ATOM 666 O TYR A 44 -7.721 -2.791 -1.032 1.00 53.33 O ATOM 667 CB TYR A 44 -10.234 -4.474 0.440 1.00 53.22 C ATOM 668 CG TYR A 44 -11.712 -4.164 0.518 1.00 35.34 C ATOM 669 CD1 TYR A 44 -12.166 -2.851 0.512 1.00 23.41 C ATOM 670 CD2 TYR A 44 -12.652 -5.183 0.600 1.00 13.13 C ATOM 671 CE1 TYR A 44 -13.515 -2.562 0.584 1.00 65.12 C ATOM 672 CE2 TYR A 44 -14.003 -4.903 0.672 1.00 14.23 C ATOM 673 CZ TYR A 44 -14.430 -3.592 0.663 1.00 31.21 C ATOM 674 OH TYR A 44 -15.774 -3.310 0.736 1.00 41.41 O ATOM 0 H TYR A 44 -10.431 -6.136 -1.370 1.00 60.34 H new ATOM 0 HA TYR A 44 -10.128 -3.395 -1.416 1.00 71.24 H new ATOM 0 HB2 TYR A 44 -10.073 -5.512 0.730 1.00 53.22 H new ATOM 0 HB3 TYR A 44 -9.703 -3.856 1.164 1.00 53.22 H new ATOM 0 HD1 TYR A 44 -11.452 -2.043 0.450 1.00 23.41 H new ATOM 0 HD2 TYR A 44 -12.322 -6.211 0.608 1.00 13.13 H new ATOM 0 HE1 TYR A 44 -13.852 -1.536 0.578 1.00 65.12 H new ATOM 0 HE2 TYR A 44 -14.721 -5.707 0.735 1.00 14.23 H new ATOM 0 HH TYR A 44 -16.280 -4.005 0.266 1.00 41.41 H new ATOM 684 N TYR A 45 -7.358 -4.943 -0.486 1.00 33.31 N ATOM 685 CA TYR A 45 -5.917 -4.775 -0.333 1.00 50.31 C ATOM 686 C TYR A 45 -5.268 -4.403 -1.661 1.00 35.55 C ATOM 687 O TYR A 45 -4.281 -3.668 -1.700 1.00 11.32 O ATOM 688 CB TYR A 45 -5.287 -6.058 0.216 1.00 45.34 C ATOM 689 CG TYR A 45 -5.862 -6.494 1.545 1.00 20.33 C ATOM 690 CD1 TYR A 45 -5.789 -5.668 2.660 1.00 42.24 C ATOM 691 CD2 TYR A 45 -6.476 -7.732 1.685 1.00 44.53 C ATOM 692 CE1 TYR A 45 -6.311 -6.063 3.877 1.00 44.21 C ATOM 693 CE2 TYR A 45 -7.003 -8.135 2.897 1.00 3.53 C ATOM 694 CZ TYR A 45 -6.917 -7.296 3.990 1.00 50.35 C ATOM 695 OH TYR A 45 -7.439 -7.693 5.200 1.00 3.52 O ATOM 0 H TYR A 45 -7.693 -5.891 -0.313 1.00 33.31 H new ATOM 0 HA TYR A 45 -5.745 -3.963 0.374 1.00 50.31 H new ATOM 0 HB2 TYR A 45 -5.424 -6.859 -0.510 1.00 45.34 H new ATOM 0 HB3 TYR A 45 -4.213 -5.907 0.326 1.00 45.34 H new ATOM 0 HD1 TYR A 45 -5.316 -4.701 2.574 1.00 42.24 H new ATOM 0 HD2 TYR A 45 -6.543 -8.391 0.832 1.00 44.53 H new ATOM 0 HE1 TYR A 45 -6.245 -5.410 4.734 1.00 44.21 H new ATOM 0 HE2 TYR A 45 -7.479 -9.100 2.989 1.00 3.53 H new ATOM 0 HH TYR A 45 -8.282 -8.170 5.052 1.00 3.52 H new ATOM 705 N LYS A 46 -5.827 -4.919 -2.751 1.00 45.53 N ATOM 706 CA LYS A 46 -5.306 -4.641 -4.084 1.00 41.13 C ATOM 707 C LYS A 46 -5.413 -3.155 -4.412 1.00 2.24 C ATOM 708 O LYS A 46 -4.681 -2.643 -5.258 1.00 20.21 O ATOM 709 CB LYS A 46 -6.065 -5.460 -5.132 1.00 15.51 C ATOM 710 CG LYS A 46 -5.400 -6.784 -5.464 1.00 54.22 C ATOM 711 CD LYS A 46 -6.259 -7.618 -6.402 1.00 10.20 C ATOM 712 CE LYS A 46 -5.785 -9.062 -6.455 1.00 75.21 C ATOM 713 NZ LYS A 46 -6.762 -9.941 -7.155 1.00 30.52 N ATOM 0 H LYS A 46 -6.642 -5.533 -2.737 1.00 45.53 H new ATOM 0 HA LYS A 46 -4.254 -4.924 -4.101 1.00 41.13 H new ATOM 0 HB2 LYS A 46 -7.076 -5.651 -4.771 1.00 15.51 H new ATOM 0 HB3 LYS A 46 -6.159 -4.871 -6.044 1.00 15.51 H new ATOM 0 HG2 LYS A 46 -4.429 -6.600 -5.925 1.00 54.22 H new ATOM 0 HG3 LYS A 46 -5.216 -7.341 -4.545 1.00 54.22 H new ATOM 0 HD2 LYS A 46 -7.297 -7.587 -6.071 1.00 10.20 H new ATOM 0 HD3 LYS A 46 -6.230 -7.187 -7.403 1.00 10.20 H new ATOM 0 HE2 LYS A 46 -4.823 -9.110 -6.965 1.00 75.21 H new ATOM 0 HE3 LYS A 46 -5.627 -9.430 -5.441 1.00 75.21 H new ATOM 0 HZ1 LYS A 46 -6.402 -10.917 -7.170 1.00 30.52 H new ATOM 0 HZ2 LYS A 46 -7.673 -9.915 -6.654 1.00 30.52 H new ATOM 0 HZ3 LYS A 46 -6.894 -9.606 -8.131 1.00 30.52 H new ATOM 727 N GLN A 47 -6.327 -2.469 -3.734 1.00 5.11 N ATOM 728 CA GLN A 47 -6.528 -1.041 -3.954 1.00 24.15 C ATOM 729 C GLN A 47 -5.668 -0.217 -3.000 1.00 51.30 C ATOM 730 O GLN A 47 -4.920 0.663 -3.423 1.00 73.44 O ATOM 731 CB GLN A 47 -8.002 -0.677 -3.774 1.00 31.11 C ATOM 732 CG GLN A 47 -8.940 -1.489 -4.654 1.00 4.44 C ATOM 733 CD GLN A 47 -10.223 -0.748 -4.977 1.00 3.15 C ATOM 734 OE1 GLN A 47 -10.226 0.473 -5.138 1.00 1.24 O ATOM 735 NE2 GLN A 47 -11.324 -1.485 -5.072 1.00 31.25 N ATOM 0 H GLN A 47 -6.940 -2.878 -3.028 1.00 5.11 H new ATOM 0 HA GLN A 47 -6.227 -0.811 -4.976 1.00 24.15 H new ATOM 0 HB2 GLN A 47 -8.279 -0.823 -2.730 1.00 31.11 H new ATOM 0 HB3 GLN A 47 -8.136 0.382 -3.994 1.00 31.11 H new ATOM 0 HG2 GLN A 47 -8.430 -1.746 -5.582 1.00 4.44 H new ATOM 0 HG3 GLN A 47 -9.182 -2.426 -4.153 1.00 4.44 H new ATOM 0 HE21 GLN A 47 -11.276 -2.494 -4.931 1.00 31.25 H new ATOM 0 HE22 GLN A 47 -12.217 -1.042 -5.286 1.00 31.25 H new ATOM 744 N GLY A 48 -5.782 -0.509 -1.708 1.00 51.22 N ATOM 745 CA GLY A 48 -5.011 0.214 -0.713 1.00 53.15 C ATOM 746 C GLY A 48 -3.523 0.190 -1.003 1.00 64.12 C ATOM 747 O GLY A 48 -2.816 1.160 -0.731 1.00 60.51 O ATOM 0 H GLY A 48 -6.394 -1.233 -1.332 1.00 51.22 H new ATOM 0 HA2 GLY A 48 -5.354 1.248 -0.673 1.00 53.15 H new ATOM 0 HA3 GLY A 48 -5.194 -0.220 0.270 1.00 53.15 H new ATOM 751 N ILE A 49 -3.048 -0.920 -1.556 1.00 60.52 N ATOM 752 CA ILE A 49 -1.635 -1.067 -1.883 1.00 51.40 C ATOM 753 C ILE A 49 -1.176 0.030 -2.839 1.00 61.34 C ATOM 754 O ILE A 49 -0.083 0.573 -2.698 1.00 13.44 O ATOM 755 CB ILE A 49 -1.343 -2.439 -2.515 1.00 34.52 C ATOM 756 CG1 ILE A 49 -1.250 -3.515 -1.430 1.00 12.04 C ATOM 757 CG2 ILE A 49 -0.056 -2.386 -3.326 1.00 64.21 C ATOM 758 CD1 ILE A 49 -1.824 -4.850 -1.853 1.00 12.43 C ATOM 0 H ILE A 49 -3.621 -1.732 -1.787 1.00 60.52 H new ATOM 0 HA ILE A 49 -1.084 -0.984 -0.946 1.00 51.40 H new ATOM 0 HB ILE A 49 -2.163 -2.695 -3.186 1.00 34.52 H new ATOM 0 HG12 ILE A 49 -0.205 -3.650 -1.152 1.00 12.04 H new ATOM 0 HG13 ILE A 49 -1.775 -3.168 -0.540 1.00 12.04 H new ATOM 0 HG21 ILE A 49 0.137 -3.364 -3.767 1.00 64.21 H new ATOM 0 HG22 ILE A 49 -0.156 -1.644 -4.118 1.00 64.21 H new ATOM 0 HG23 ILE A 49 0.774 -2.112 -2.674 1.00 64.21 H new ATOM 0 HD11 ILE A 49 -1.724 -5.564 -1.036 1.00 12.43 H new ATOM 0 HD12 ILE A 49 -2.878 -4.730 -2.104 1.00 12.43 H new ATOM 0 HD13 ILE A 49 -1.284 -5.219 -2.725 1.00 12.43 H new ATOM 770 N GLY A 50 -2.022 0.348 -3.814 1.00 41.02 N ATOM 771 CA GLY A 50 -1.686 1.380 -4.780 1.00 71.44 C ATOM 772 C GLY A 50 -1.540 2.746 -4.140 1.00 63.33 C ATOM 773 O GLY A 50 -0.504 3.397 -4.280 1.00 74.24 O ATOM 0 H GLY A 50 -2.933 -0.089 -3.953 1.00 41.02 H new ATOM 0 HA2 GLY A 50 -0.755 1.115 -5.281 1.00 71.44 H new ATOM 0 HA3 GLY A 50 -2.460 1.422 -5.547 1.00 71.44 H new ATOM 777 N HIS A 51 -2.582 3.185 -3.440 1.00 71.20 N ATOM 778 CA HIS A 51 -2.564 4.484 -2.779 1.00 42.24 C ATOM 779 C HIS A 51 -1.307 4.646 -1.930 1.00 71.13 C ATOM 780 O HIS A 51 -0.704 5.719 -1.894 1.00 33.23 O ATOM 781 CB HIS A 51 -3.808 4.652 -1.905 1.00 65.42 C ATOM 782 CG HIS A 51 -5.085 4.709 -2.687 1.00 51.45 C ATOM 783 ND1 HIS A 51 -5.502 5.835 -3.365 1.00 0.42 N ATOM 784 CD2 HIS A 51 -6.037 3.770 -2.896 1.00 1.53 C ATOM 785 CE1 HIS A 51 -6.658 5.587 -3.956 1.00 23.12 C ATOM 786 NE2 HIS A 51 -7.005 4.341 -3.688 1.00 23.43 N ATOM 0 H HIS A 51 -3.448 2.660 -3.316 1.00 71.20 H new ATOM 0 HA HIS A 51 -2.562 5.255 -3.549 1.00 42.24 H new ATOM 0 HB2 HIS A 51 -3.861 3.824 -1.199 1.00 65.42 H new ATOM 0 HB3 HIS A 51 -3.709 5.565 -1.318 1.00 65.42 H new ATOM 0 HD2 HIS A 51 -6.036 2.760 -2.512 1.00 1.53 H new ATOM 0 HE1 HIS A 51 -7.223 6.285 -4.556 1.00 23.12 H new ATOM 0 HE2 HIS A 51 -7.853 3.878 -4.015 1.00 23.43 H new ATOM 795 N LEU A 52 -0.917 3.575 -1.248 1.00 73.11 N ATOM 796 CA LEU A 52 0.269 3.597 -0.398 1.00 44.03 C ATOM 797 C LEU A 52 1.478 4.122 -1.166 1.00 11.21 C ATOM 798 O LEU A 52 2.204 4.991 -0.681 1.00 11.21 O ATOM 799 CB LEU A 52 0.561 2.195 0.140 1.00 65.52 C ATOM 800 CG LEU A 52 -0.378 1.686 1.233 1.00 62.34 C ATOM 801 CD1 LEU A 52 -0.082 0.230 1.556 1.00 22.25 C ATOM 802 CD2 LEU A 52 -0.260 2.547 2.481 1.00 3.21 C ATOM 0 H LEU A 52 -1.405 2.679 -1.267 1.00 73.11 H new ATOM 0 HA LEU A 52 0.074 4.267 0.439 1.00 44.03 H new ATOM 0 HB2 LEU A 52 0.529 1.494 -0.694 1.00 65.52 H new ATOM 0 HB3 LEU A 52 1.579 2.182 0.529 1.00 65.52 H new ATOM 0 HG LEU A 52 -1.402 1.753 0.866 1.00 62.34 H new ATOM 0 HD11 LEU A 52 -0.760 -0.115 2.336 1.00 22.25 H new ATOM 0 HD12 LEU A 52 -0.220 -0.377 0.661 1.00 22.25 H new ATOM 0 HD13 LEU A 52 0.947 0.136 1.903 1.00 22.25 H new ATOM 0 HD21 LEU A 52 -0.936 2.170 3.249 1.00 3.21 H new ATOM 0 HD22 LEU A 52 0.765 2.513 2.851 1.00 3.21 H new ATOM 0 HD23 LEU A 52 -0.524 3.576 2.239 1.00 3.21 H new ATOM 814 N LEU A 53 1.686 3.593 -2.365 1.00 32.30 N ATOM 815 CA LEU A 53 2.807 4.010 -3.201 1.00 35.32 C ATOM 816 C LEU A 53 2.646 5.460 -3.643 1.00 5.14 C ATOM 817 O LEU A 53 3.544 6.281 -3.454 1.00 14.11 O ATOM 818 CB LEU A 53 2.920 3.101 -4.427 1.00 14.31 C ATOM 819 CG LEU A 53 2.935 1.597 -4.149 1.00 15.23 C ATOM 820 CD1 LEU A 53 3.357 0.830 -5.392 1.00 74.55 C ATOM 821 CD2 LEU A 53 3.861 1.281 -2.983 1.00 60.05 C ATOM 0 H LEU A 53 1.094 2.874 -2.781 1.00 32.30 H new ATOM 0 HA LEU A 53 3.719 3.928 -2.610 1.00 35.32 H new ATOM 0 HB2 LEU A 53 2.086 3.319 -5.094 1.00 14.31 H new ATOM 0 HB3 LEU A 53 3.833 3.360 -4.964 1.00 14.31 H new ATOM 0 HG LEU A 53 1.926 1.285 -3.880 1.00 15.23 H new ATOM 0 HD11 LEU A 53 3.362 -0.238 -5.176 1.00 74.55 H new ATOM 0 HD12 LEU A 53 2.655 1.033 -6.201 1.00 74.55 H new ATOM 0 HD13 LEU A 53 4.357 1.144 -5.692 1.00 74.55 H new ATOM 0 HD21 LEU A 53 3.860 0.207 -2.798 1.00 60.05 H new ATOM 0 HD22 LEU A 53 4.873 1.607 -3.223 1.00 60.05 H new ATOM 0 HD23 LEU A 53 3.514 1.803 -2.091 1.00 60.05 H new ATOM 833 N ARG A 54 1.494 5.770 -4.231 1.00 23.12 N ATOM 834 CA ARG A 54 1.215 7.123 -4.699 1.00 15.14 C ATOM 835 C ARG A 54 1.620 8.155 -3.651 1.00 14.13 C ATOM 836 O ARG A 54 1.999 9.278 -3.982 1.00 62.33 O ATOM 837 CB ARG A 54 -0.270 7.274 -5.031 1.00 3.35 C ATOM 838 CG ARG A 54 -0.637 8.648 -5.568 1.00 11.41 C ATOM 839 CD ARG A 54 -2.124 8.747 -5.874 1.00 55.53 C ATOM 840 NE ARG A 54 -2.489 7.997 -7.072 1.00 74.01 N ATOM 841 CZ ARG A 54 -2.146 8.365 -8.301 1.00 50.11 C ATOM 842 NH1 ARG A 54 -1.433 9.466 -8.492 1.00 23.45 N ATOM 843 NH2 ARG A 54 -2.515 7.629 -9.342 1.00 74.11 N ATOM 0 H ARG A 54 0.740 5.103 -4.394 1.00 23.12 H new ATOM 0 HA ARG A 54 1.802 7.297 -5.601 1.00 15.14 H new ATOM 0 HB2 ARG A 54 -0.548 6.519 -5.767 1.00 3.35 H new ATOM 0 HB3 ARG A 54 -0.856 7.075 -4.134 1.00 3.35 H new ATOM 0 HG2 ARG A 54 -0.363 9.410 -4.839 1.00 11.41 H new ATOM 0 HG3 ARG A 54 -0.064 8.852 -6.472 1.00 11.41 H new ATOM 0 HD2 ARG A 54 -2.694 8.372 -5.024 1.00 55.53 H new ATOM 0 HD3 ARG A 54 -2.398 9.794 -6.005 1.00 55.53 H new ATOM 0 HE ARG A 54 -3.037 7.144 -6.959 1.00 74.01 H new ATOM 0 HH11 ARG A 54 -1.146 10.033 -7.694 1.00 23.45 H new ATOM 0 HH12 ARG A 54 -1.171 9.746 -9.437 1.00 23.45 H new ATOM 0 HH21 ARG A 54 -3.062 6.780 -9.198 1.00 74.11 H new ATOM 0 HH22 ARG A 54 -2.251 7.912 -10.286 1.00 74.11 H new ATOM 857 N GLY A 55 1.537 7.767 -2.381 1.00 35.32 N ATOM 858 CA GLY A 55 1.898 8.669 -1.304 1.00 42.22 C ATOM 859 C GLY A 55 3.368 8.582 -0.940 1.00 50.45 C ATOM 860 O GLY A 55 3.960 9.561 -0.488 1.00 73.01 O ATOM 0 H GLY A 55 1.226 6.843 -2.080 1.00 35.32 H new ATOM 0 HA2 GLY A 55 1.659 9.692 -1.596 1.00 42.22 H new ATOM 0 HA3 GLY A 55 1.295 8.440 -0.425 1.00 42.22 H new ATOM 864 N ILE A 56 3.954 7.406 -1.137 1.00 30.12 N ATOM 865 CA ILE A 56 5.362 7.195 -0.826 1.00 74.34 C ATOM 866 C ILE A 56 6.252 7.626 -1.987 1.00 53.35 C ATOM 867 O ILE A 56 7.462 7.787 -1.829 1.00 0.43 O ATOM 868 CB ILE A 56 5.649 5.719 -0.494 1.00 74.31 C ATOM 869 CG1 ILE A 56 4.965 5.325 0.817 1.00 31.14 C ATOM 870 CG2 ILE A 56 7.149 5.478 -0.408 1.00 22.42 C ATOM 871 CD1 ILE A 56 4.426 3.913 0.816 1.00 50.45 C ATOM 0 H ILE A 56 3.476 6.586 -1.510 1.00 30.12 H new ATOM 0 HA ILE A 56 5.588 7.806 0.048 1.00 74.34 H new ATOM 0 HB ILE A 56 5.245 5.097 -1.293 1.00 74.31 H new ATOM 0 HG12 ILE A 56 5.677 5.433 1.635 1.00 31.14 H new ATOM 0 HG13 ILE A 56 4.146 6.018 1.013 1.00 31.14 H new ATOM 0 HG21 ILE A 56 7.336 4.430 -0.173 1.00 22.42 H new ATOM 0 HG22 ILE A 56 7.612 5.724 -1.364 1.00 22.42 H new ATOM 0 HG23 ILE A 56 7.574 6.107 0.374 1.00 22.42 H new ATOM 0 HD11 ILE A 56 3.955 3.703 1.776 1.00 50.45 H new ATOM 0 HD12 ILE A 56 3.690 3.805 0.019 1.00 50.45 H new ATOM 0 HD13 ILE A 56 5.244 3.211 0.652 1.00 50.45 H new ATOM 883 N SER A 57 5.644 7.812 -3.154 1.00 42.22 N ATOM 884 CA SER A 57 6.382 8.223 -4.344 1.00 3.22 C ATOM 885 C SER A 57 6.195 9.713 -4.610 1.00 1.02 C ATOM 886 O SER A 57 5.787 10.113 -5.702 1.00 41.23 O ATOM 887 CB SER A 57 5.924 7.414 -5.558 1.00 13.40 C ATOM 888 OG SER A 57 4.551 7.636 -5.831 1.00 63.44 O ATOM 0 H SER A 57 4.643 7.685 -3.302 1.00 42.22 H new ATOM 0 HA SER A 57 7.441 8.033 -4.169 1.00 3.22 H new ATOM 0 HB2 SER A 57 6.520 7.689 -6.428 1.00 13.40 H new ATOM 0 HB3 SER A 57 6.095 6.353 -5.377 1.00 13.40 H new ATOM 0 HG SER A 57 4.007 7.225 -5.127 1.00 63.44 H new ATOM 894 N ILE A 58 6.495 10.530 -3.607 1.00 55.33 N ATOM 895 CA ILE A 58 6.361 11.976 -3.732 1.00 23.32 C ATOM 896 C ILE A 58 7.704 12.671 -3.539 1.00 23.12 C ATOM 897 O ILE A 58 8.597 12.147 -2.873 1.00 74.13 O ATOM 898 CB ILE A 58 5.353 12.539 -2.714 1.00 43.10 C ATOM 899 CG1 ILE A 58 3.981 11.891 -2.910 1.00 44.12 C ATOM 900 CG2 ILE A 58 5.254 14.051 -2.847 1.00 23.32 C ATOM 901 CD1 ILE A 58 3.184 12.495 -4.045 1.00 43.42 C ATOM 0 H ILE A 58 6.833 10.215 -2.698 1.00 55.33 H new ATOM 0 HA ILE A 58 5.994 12.172 -4.739 1.00 23.32 H new ATOM 0 HB ILE A 58 5.705 12.304 -1.709 1.00 43.10 H new ATOM 0 HG12 ILE A 58 4.115 10.826 -3.097 1.00 44.12 H new ATOM 0 HG13 ILE A 58 3.410 11.983 -1.986 1.00 44.12 H new ATOM 0 HG21 ILE A 58 4.537 14.434 -2.121 1.00 23.32 H new ATOM 0 HG22 ILE A 58 6.231 14.497 -2.663 1.00 23.32 H new ATOM 0 HG23 ILE A 58 4.922 14.307 -3.853 1.00 23.32 H new ATOM 0 HD11 ILE A 58 2.223 11.987 -4.126 1.00 43.42 H new ATOM 0 HD12 ILE A 58 3.019 13.555 -3.850 1.00 43.42 H new ATOM 0 HD13 ILE A 58 3.735 12.379 -4.978 1.00 43.42 H new ATOM 1060 N TRP A 70 4.880 20.166 6.687 1.00 25.13 N ATOM 1061 CA TRP A 70 5.716 19.090 6.166 1.00 20.32 C ATOM 1062 C TRP A 70 6.069 18.094 7.266 1.00 23.20 C ATOM 1063 O TRP A 70 6.436 16.954 6.987 1.00 64.05 O ATOM 1064 CB TRP A 70 6.993 19.662 5.549 1.00 33.55 C ATOM 1065 CG TRP A 70 6.844 20.026 4.103 1.00 13.24 C ATOM 1066 CD1 TRP A 70 6.645 21.275 3.589 1.00 40.42 C ATOM 1067 CD2 TRP A 70 6.880 19.132 2.985 1.00 51.31 C ATOM 1068 NE1 TRP A 70 6.555 21.212 2.220 1.00 30.05 N ATOM 1069 CE2 TRP A 70 6.697 19.908 1.824 1.00 12.20 C ATOM 1070 CE3 TRP A 70 7.051 17.752 2.854 1.00 22.11 C ATOM 1071 CZ2 TRP A 70 6.679 19.348 0.550 1.00 52.21 C ATOM 1072 CZ3 TRP A 70 7.032 17.197 1.588 1.00 22.41 C ATOM 1073 CH2 TRP A 70 6.848 17.994 0.450 1.00 14.34 C ATOM 0 HA TRP A 70 5.152 18.566 5.395 1.00 20.32 H new ATOM 0 HB2 TRP A 70 7.294 20.547 6.110 1.00 33.55 H new ATOM 0 HB3 TRP A 70 7.796 18.932 5.651 1.00 33.55 H new ATOM 0 HD1 TRP A 70 6.569 22.180 4.173 1.00 40.42 H new ATOM 0 HE1 TRP A 70 6.406 22.007 1.599 1.00 30.05 H new ATOM 0 HE3 TRP A 70 7.195 17.130 3.725 1.00 22.11 H new ATOM 0 HZ2 TRP A 70 6.537 19.960 -0.328 1.00 52.21 H new ATOM 0 HZ3 TRP A 70 7.161 16.131 1.474 1.00 22.41 H new ATOM 0 HH2 TRP A 70 6.839 17.530 -0.525 1.00 14.34 H new ATOM 1084 N GLU A 71 5.955 18.534 8.514 1.00 54.42 N ATOM 1085 CA GLU A 71 6.263 17.680 9.655 1.00 74.20 C ATOM 1086 C GLU A 71 5.268 16.528 9.757 1.00 42.24 C ATOM 1087 O GLU A 71 5.645 15.358 9.682 1.00 71.24 O ATOM 1088 CB GLU A 71 6.249 18.495 10.950 1.00 2.02 C ATOM 1089 CG GLU A 71 7.451 18.238 11.843 1.00 54.53 C ATOM 1090 CD GLU A 71 8.707 18.927 11.346 1.00 22.03 C ATOM 1091 OE1 GLU A 71 9.694 18.983 12.109 1.00 60.20 O ATOM 1092 OE2 GLU A 71 8.702 19.413 10.196 1.00 70.34 O ATOM 0 H GLU A 71 5.652 19.476 8.761 1.00 54.42 H new ATOM 0 HA GLU A 71 7.260 17.265 9.506 1.00 74.20 H new ATOM 0 HB2 GLU A 71 6.212 19.556 10.702 1.00 2.02 H new ATOM 0 HB3 GLU A 71 5.339 18.265 11.504 1.00 2.02 H new ATOM 0 HG2 GLU A 71 7.228 18.582 12.853 1.00 54.53 H new ATOM 0 HG3 GLU A 71 7.630 17.165 11.904 1.00 54.53 H new ATOM 1100 N SER A 72 3.994 16.867 9.928 1.00 61.11 N ATOM 1101 CA SER A 72 2.944 15.862 10.044 1.00 44.31 C ATOM 1102 C SER A 72 2.884 14.991 8.793 1.00 14.23 C ATOM 1103 O SER A 72 2.605 13.795 8.870 1.00 44.25 O ATOM 1104 CB SER A 72 1.589 16.534 10.275 1.00 44.43 C ATOM 1105 OG SER A 72 1.004 16.101 11.491 1.00 33.22 O ATOM 0 H SER A 72 3.664 17.830 9.989 1.00 61.11 H new ATOM 0 HA SER A 72 3.178 15.226 10.898 1.00 44.31 H new ATOM 0 HB2 SER A 72 1.715 17.616 10.294 1.00 44.43 H new ATOM 0 HB3 SER A 72 0.920 16.306 9.445 1.00 44.43 H new ATOM 0 HG SER A 72 0.140 16.547 11.615 1.00 33.22 H new ATOM 1111 N ALA A 73 3.152 15.599 7.642 1.00 15.01 N ATOM 1112 CA ALA A 73 3.132 14.879 6.375 1.00 12.42 C ATOM 1113 C ALA A 73 4.191 13.782 6.350 1.00 0.43 C ATOM 1114 O ALA A 73 3.917 12.651 5.949 1.00 2.31 O ATOM 1115 CB ALA A 73 3.342 15.843 5.218 1.00 24.21 C ATOM 0 H ALA A 73 3.386 16.589 7.561 1.00 15.01 H new ATOM 0 HA ALA A 73 2.155 14.407 6.269 1.00 12.42 H new ATOM 0 HB1 ALA A 73 3.325 15.292 4.278 1.00 24.21 H new ATOM 0 HB2 ALA A 73 2.547 16.588 5.216 1.00 24.21 H new ATOM 0 HB3 ALA A 73 4.305 16.341 5.329 1.00 24.21 H new ATOM 1121 N ARG A 74 5.401 14.123 6.783 1.00 43.12 N ATOM 1122 CA ARG A 74 6.500 13.166 6.808 1.00 20.55 C ATOM 1123 C ARG A 74 6.171 11.983 7.713 1.00 35.23 C ATOM 1124 O ARG A 74 6.599 10.858 7.459 1.00 73.12 O ATOM 1125 CB ARG A 74 7.785 13.847 7.284 1.00 40.54 C ATOM 1126 CG ARG A 74 8.956 13.673 6.331 1.00 13.24 C ATOM 1127 CD ARG A 74 10.284 13.677 7.073 1.00 10.33 C ATOM 1128 NE ARG A 74 10.938 12.372 7.029 1.00 11.34 N ATOM 1129 CZ ARG A 74 12.235 12.194 7.253 1.00 73.02 C ATOM 1130 NH1 ARG A 74 13.013 13.231 7.536 1.00 64.04 N ATOM 1131 NH2 ARG A 74 12.758 10.976 7.197 1.00 62.53 N ATOM 0 H ARG A 74 5.644 15.054 7.121 1.00 43.12 H new ATOM 0 HA ARG A 74 6.648 12.793 5.794 1.00 20.55 H new ATOM 0 HB2 ARG A 74 7.593 14.911 7.420 1.00 40.54 H new ATOM 0 HB3 ARG A 74 8.059 13.446 8.260 1.00 40.54 H new ATOM 0 HG2 ARG A 74 8.846 12.736 5.785 1.00 13.24 H new ATOM 0 HG3 ARG A 74 8.948 14.475 5.593 1.00 13.24 H new ATOM 0 HD2 ARG A 74 10.942 14.427 6.635 1.00 10.33 H new ATOM 0 HD3 ARG A 74 10.119 13.965 8.111 1.00 10.33 H new ATOM 0 HE ARG A 74 10.368 11.553 6.815 1.00 11.34 H new ATOM 0 HH11 ARG A 74 12.615 14.169 7.582 1.00 64.04 H new ATOM 0 HH12 ARG A 74 14.009 13.090 7.707 1.00 64.04 H new ATOM 0 HH21 ARG A 74 12.164 10.175 6.982 1.00 62.53 H new ATOM 0 HH22 ARG A 74 13.754 10.840 7.369 1.00 62.53 H new ATOM 1145 N GLN A 75 5.411 12.248 8.771 1.00 63.13 N ATOM 1146 CA GLN A 75 5.025 11.205 9.714 1.00 10.44 C ATOM 1147 C GLN A 75 4.109 10.182 9.051 1.00 14.24 C ATOM 1148 O GLN A 75 4.390 8.984 9.062 1.00 11.24 O ATOM 1149 CB GLN A 75 4.329 11.820 10.930 1.00 23.02 C ATOM 1150 CG GLN A 75 5.080 11.605 12.235 1.00 62.12 C ATOM 1151 CD GLN A 75 4.549 10.426 13.026 1.00 64.35 C ATOM 1152 OE1 GLN A 75 5.110 9.331 12.983 1.00 62.15 O ATOM 1153 NE2 GLN A 75 3.459 10.644 13.755 1.00 22.34 N ATOM 0 H GLN A 75 5.051 13.175 8.996 1.00 63.13 H new ATOM 0 HA GLN A 75 5.930 10.694 10.042 1.00 10.44 H new ATOM 0 HB2 GLN A 75 4.205 12.890 10.764 1.00 23.02 H new ATOM 0 HB3 GLN A 75 3.330 11.393 11.021 1.00 23.02 H new ATOM 0 HG2 GLN A 75 6.137 11.447 12.020 1.00 62.12 H new ATOM 0 HG3 GLN A 75 5.010 12.507 12.843 1.00 62.12 H new ATOM 0 HE21 GLN A 75 3.026 11.568 13.762 1.00 22.34 H new ATOM 0 HE22 GLN A 75 3.056 9.888 14.308 1.00 22.34 H new ATOM 1162 N MET A 76 3.011 10.663 8.478 1.00 65.20 N ATOM 1163 CA MET A 76 2.053 9.790 7.810 1.00 62.42 C ATOM 1164 C MET A 76 2.740 8.952 6.734 1.00 53.24 C ATOM 1165 O MET A 76 2.461 7.762 6.593 1.00 2.11 O ATOM 1166 CB MET A 76 0.926 10.616 7.186 1.00 71.55 C ATOM 1167 CG MET A 76 1.131 10.906 5.709 1.00 24.31 C ATOM 1168 SD MET A 76 -0.173 11.943 5.017 1.00 42.10 S ATOM 1169 CE MET A 76 -0.492 13.047 6.392 1.00 74.45 C ATOM 0 H MET A 76 2.762 11.652 8.463 1.00 65.20 H new ATOM 0 HA MET A 76 1.630 9.117 8.556 1.00 62.42 H new ATOM 0 HB2 MET A 76 -0.017 10.085 7.316 1.00 71.55 H new ATOM 0 HB3 MET A 76 0.838 11.560 7.724 1.00 71.55 H new ATOM 0 HG2 MET A 76 2.094 11.398 5.569 1.00 24.31 H new ATOM 0 HG3 MET A 76 1.171 9.965 5.160 1.00 24.31 H new ATOM 0 HE1 MET A 76 -1.024 13.929 6.035 1.00 74.45 H new ATOM 0 HE2 MET A 76 -1.100 12.534 7.137 1.00 74.45 H new ATOM 0 HE3 MET A 76 0.453 13.351 6.842 1.00 74.45 H new ATOM 1179 N GLN A 77 3.635 9.582 5.983 1.00 35.51 N ATOM 1180 CA GLN A 77 4.360 8.893 4.921 1.00 11.24 C ATOM 1181 C GLN A 77 5.042 7.635 5.453 1.00 11.34 C ATOM 1182 O GLN A 77 4.916 6.558 4.872 1.00 71.41 O ATOM 1183 CB GLN A 77 5.400 9.825 4.295 1.00 54.13 C ATOM 1184 CG GLN A 77 5.250 9.981 2.792 1.00 44.32 C ATOM 1185 CD GLN A 77 6.563 10.302 2.103 1.00 75.22 C ATOM 1186 OE1 GLN A 77 7.633 10.189 2.701 1.00 15.01 O ATOM 1187 NE2 GLN A 77 6.486 10.704 0.841 1.00 70.42 N ATOM 0 H GLN A 77 3.876 10.567 6.089 1.00 35.51 H new ATOM 0 HA GLN A 77 3.640 8.599 4.157 1.00 11.24 H new ATOM 0 HB2 GLN A 77 5.325 10.806 4.763 1.00 54.13 H new ATOM 0 HB3 GLN A 77 6.397 9.443 4.515 1.00 54.13 H new ATOM 0 HG2 GLN A 77 4.841 9.061 2.374 1.00 44.32 H new ATOM 0 HG3 GLN A 77 4.531 10.773 2.583 1.00 44.32 H new ATOM 0 HE21 GLN A 77 5.577 10.783 0.385 1.00 70.42 H new ATOM 0 HE22 GLN A 77 7.336 10.934 0.326 1.00 70.42 H new ATOM 1196 N GLN A 78 5.762 7.783 6.560 1.00 74.11 N ATOM 1197 CA GLN A 78 6.464 6.660 7.169 1.00 11.30 C ATOM 1198 C GLN A 78 5.495 5.531 7.508 1.00 73.42 C ATOM 1199 O GLN A 78 5.806 4.355 7.320 1.00 1.15 O ATOM 1200 CB GLN A 78 7.198 7.113 8.433 1.00 50.40 C ATOM 1201 CG GLN A 78 8.649 6.668 8.486 1.00 12.03 C ATOM 1202 CD GLN A 78 9.620 7.828 8.378 1.00 31.12 C ATOM 1203 OE1 GLN A 78 10.601 7.765 7.635 1.00 65.23 O ATOM 1204 NE2 GLN A 78 9.352 8.896 9.121 1.00 23.55 N ATOM 0 H GLN A 78 5.874 8.669 7.053 1.00 74.11 H new ATOM 0 HA GLN A 78 7.192 6.287 6.449 1.00 11.30 H new ATOM 0 HB2 GLN A 78 7.158 8.200 8.496 1.00 50.40 H new ATOM 0 HB3 GLN A 78 6.675 6.723 9.306 1.00 50.40 H new ATOM 0 HG2 GLN A 78 8.828 6.135 9.420 1.00 12.03 H new ATOM 0 HG3 GLN A 78 8.839 5.964 7.676 1.00 12.03 H new ATOM 0 HE21 GLN A 78 8.528 8.905 9.722 1.00 23.55 H new ATOM 0 HE22 GLN A 78 9.970 9.707 9.090 1.00 23.55 H new ATOM 1213 N LYS A 79 4.319 5.897 8.006 1.00 23.13 N ATOM 1214 CA LYS A 79 3.304 4.917 8.369 1.00 50.44 C ATOM 1215 C LYS A 79 3.091 3.909 7.244 1.00 31.21 C ATOM 1216 O LYS A 79 3.158 2.700 7.460 1.00 35.24 O ATOM 1217 CB LYS A 79 1.983 5.618 8.697 1.00 71.20 C ATOM 1218 CG LYS A 79 0.983 4.726 9.412 1.00 54.42 C ATOM 1219 CD LYS A 79 1.152 4.795 10.921 1.00 10.13 C ATOM 1220 CE LYS A 79 2.214 3.821 11.408 1.00 25.21 C ATOM 1221 NZ LYS A 79 1.726 2.989 12.541 1.00 34.43 N ATOM 0 H LYS A 79 4.046 6.866 8.167 1.00 23.13 H new ATOM 0 HA LYS A 79 3.653 4.380 9.251 1.00 50.44 H new ATOM 0 HB2 LYS A 79 2.188 6.490 9.318 1.00 71.20 H new ATOM 0 HB3 LYS A 79 1.536 5.983 7.773 1.00 71.20 H new ATOM 0 HG2 LYS A 79 -0.030 5.026 9.144 1.00 54.42 H new ATOM 0 HG3 LYS A 79 1.109 3.696 9.078 1.00 54.42 H new ATOM 0 HD2 LYS A 79 1.426 5.809 11.211 1.00 10.13 H new ATOM 0 HD3 LYS A 79 0.202 4.571 11.405 1.00 10.13 H new ATOM 0 HE2 LYS A 79 2.517 3.173 10.586 1.00 25.21 H new ATOM 0 HE3 LYS A 79 3.099 4.375 11.720 1.00 25.21 H new ATOM 0 HZ1 LYS A 79 2.479 2.339 12.844 1.00 34.43 H new ATOM 0 HZ2 LYS A 79 1.461 3.606 13.336 1.00 34.43 H new ATOM 0 HZ3 LYS A 79 0.896 2.440 12.237 1.00 34.43 H new ATOM 1235 N MET A 80 2.836 4.417 6.043 1.00 25.33 N ATOM 1236 CA MET A 80 2.618 3.561 4.882 1.00 14.22 C ATOM 1237 C MET A 80 3.789 2.603 4.686 1.00 71.34 C ATOM 1238 O MET A 80 3.615 1.383 4.702 1.00 65.23 O ATOM 1239 CB MET A 80 2.423 4.410 3.625 1.00 60.01 C ATOM 1240 CG MET A 80 1.130 5.210 3.626 1.00 41.14 C ATOM 1241 SD MET A 80 1.392 6.952 4.010 1.00 41.44 S ATOM 1242 CE MET A 80 1.502 7.649 2.363 1.00 34.34 C ATOM 0 H MET A 80 2.775 5.416 5.848 1.00 25.33 H new ATOM 0 HA MET A 80 1.717 2.974 5.058 1.00 14.22 H new ATOM 0 HB2 MET A 80 3.265 5.095 3.525 1.00 60.01 H new ATOM 0 HB3 MET A 80 2.437 3.759 2.751 1.00 60.01 H new ATOM 0 HG2 MET A 80 0.654 5.125 2.649 1.00 41.14 H new ATOM 0 HG3 MET A 80 0.442 4.781 4.355 1.00 41.14 H new ATOM 0 HE1 MET A 80 1.822 8.689 2.429 1.00 34.34 H new ATOM 0 HE2 MET A 80 2.226 7.083 1.776 1.00 34.34 H new ATOM 0 HE3 MET A 80 0.526 7.599 1.881 1.00 34.34 H new ATOM 1252 N LYS A 81 4.980 3.160 4.502 1.00 73.05 N ATOM 1253 CA LYS A 81 6.179 2.355 4.304 1.00 23.50 C ATOM 1254 C LYS A 81 6.215 1.183 5.277 1.00 70.15 C ATOM 1255 O LYS A 81 6.866 0.169 5.021 1.00 23.05 O ATOM 1256 CB LYS A 81 7.432 3.217 4.479 1.00 73.41 C ATOM 1257 CG LYS A 81 8.086 3.615 3.168 1.00 71.50 C ATOM 1258 CD LYS A 81 9.088 4.740 3.363 1.00 74.05 C ATOM 1259 CE LYS A 81 8.392 6.068 3.618 1.00 25.24 C ATOM 1260 NZ LYS A 81 9.006 7.175 2.833 1.00 10.33 N ATOM 0 H LYS A 81 5.141 4.167 4.486 1.00 73.05 H new ATOM 0 HA LYS A 81 6.157 1.960 3.289 1.00 23.50 H new ATOM 0 HB2 LYS A 81 7.168 4.119 5.032 1.00 73.41 H new ATOM 0 HB3 LYS A 81 8.156 2.672 5.085 1.00 73.41 H new ATOM 0 HG2 LYS A 81 8.588 2.751 2.734 1.00 71.50 H new ATOM 0 HG3 LYS A 81 7.320 3.928 2.459 1.00 71.50 H new ATOM 0 HD2 LYS A 81 9.743 4.504 4.202 1.00 74.05 H new ATOM 0 HD3 LYS A 81 9.720 4.823 2.479 1.00 74.05 H new ATOM 0 HE2 LYS A 81 7.337 5.981 3.359 1.00 25.24 H new ATOM 0 HE3 LYS A 81 8.441 6.306 4.681 1.00 25.24 H new ATOM 0 HZ1 LYS A 81 8.433 8.036 2.941 1.00 10.33 H new ATOM 0 HZ2 LYS A 81 9.970 7.354 3.180 1.00 10.33 H new ATOM 0 HZ3 LYS A 81 9.044 6.909 1.828 1.00 10.33 H new ATOM 1274 N GLU A 82 5.510 1.326 6.395 1.00 75.34 N ATOM 1275 CA GLU A 82 5.461 0.277 7.407 1.00 31.33 C ATOM 1276 C GLU A 82 4.239 -0.615 7.210 1.00 24.24 C ATOM 1277 O GLU A 82 4.296 -1.826 7.429 1.00 2.34 O ATOM 1278 CB GLU A 82 5.437 0.890 8.808 1.00 35.52 C ATOM 1279 CG GLU A 82 6.778 1.452 9.251 1.00 74.50 C ATOM 1280 CD GLU A 82 7.836 0.375 9.411 1.00 5.34 C ATOM 1281 OE1 GLU A 82 7.498 -0.721 9.903 1.00 41.20 O ATOM 1282 OE2 GLU A 82 9.003 0.631 9.044 1.00 64.15 O ATOM 0 H GLU A 82 4.965 2.158 6.623 1.00 75.34 H new ATOM 0 HA GLU A 82 6.356 -0.335 7.301 1.00 31.33 H new ATOM 0 HB2 GLU A 82 4.693 1.686 8.834 1.00 35.52 H new ATOM 0 HB3 GLU A 82 5.117 0.131 9.522 1.00 35.52 H new ATOM 0 HG2 GLU A 82 7.119 2.186 8.521 1.00 74.50 H new ATOM 0 HG3 GLU A 82 6.653 1.977 10.198 1.00 74.50 H new ATOM 1290 N THR A 83 3.132 -0.007 6.793 1.00 24.15 N ATOM 1291 CA THR A 83 1.896 -0.743 6.565 1.00 14.52 C ATOM 1292 C THR A 83 2.011 -1.651 5.348 1.00 14.02 C ATOM 1293 O THR A 83 1.665 -2.833 5.406 1.00 5.10 O ATOM 1294 CB THR A 83 0.702 0.210 6.369 1.00 3.42 C ATOM 1295 OG1 THR A 83 0.686 1.196 7.408 1.00 42.23 O ATOM 1296 CG2 THR A 83 -0.611 -0.558 6.372 1.00 0.04 C ATOM 0 H THR A 83 3.067 0.994 6.607 1.00 24.15 H new ATOM 0 HA THR A 83 1.724 -1.352 7.453 1.00 14.52 H new ATOM 0 HB THR A 83 0.814 0.702 5.403 1.00 3.42 H new ATOM 0 HG1 THR A 83 1.458 1.791 7.306 1.00 42.23 H new ATOM 0 HG21 THR A 83 -1.439 0.137 6.232 1.00 0.04 H new ATOM 0 HG22 THR A 83 -0.608 -1.287 5.562 1.00 0.04 H new ATOM 0 HG23 THR A 83 -0.728 -1.075 7.325 1.00 0.04 H new ATOM 1304 N LEU A 84 2.501 -1.095 4.245 1.00 1.10 N ATOM 1305 CA LEU A 84 2.663 -1.857 3.011 1.00 32.21 C ATOM 1306 C LEU A 84 3.329 -3.202 3.285 1.00 10.30 C ATOM 1307 O LEU A 84 2.734 -4.256 3.060 1.00 25.42 O ATOM 1308 CB LEU A 84 3.495 -1.060 2.003 1.00 54.43 C ATOM 1309 CG LEU A 84 4.128 -1.868 0.871 1.00 5.13 C ATOM 1310 CD1 LEU A 84 3.062 -2.354 -0.099 1.00 62.41 C ATOM 1311 CD2 LEU A 84 5.173 -1.035 0.142 1.00 11.14 C ATOM 0 H LEU A 84 2.793 -0.120 4.180 1.00 1.10 H new ATOM 0 HA LEU A 84 1.673 -2.041 2.593 1.00 32.21 H new ATOM 0 HB2 LEU A 84 2.859 -0.292 1.563 1.00 54.43 H new ATOM 0 HB3 LEU A 84 4.289 -0.545 2.544 1.00 54.43 H new ATOM 0 HG LEU A 84 4.621 -2.738 1.303 1.00 5.13 H new ATOM 0 HD11 LEU A 84 3.532 -2.927 -0.898 1.00 62.41 H new ATOM 0 HD12 LEU A 84 2.349 -2.986 0.431 1.00 62.41 H new ATOM 0 HD13 LEU A 84 2.540 -1.497 -0.525 1.00 62.41 H new ATOM 0 HD21 LEU A 84 5.614 -1.626 -0.661 1.00 11.14 H new ATOM 0 HD22 LEU A 84 4.702 -0.146 -0.278 1.00 11.14 H new ATOM 0 HD23 LEU A 84 5.953 -0.736 0.842 1.00 11.14 H new ATOM 1323 N GLN A 85 4.563 -3.157 3.775 1.00 13.44 N ATOM 1324 CA GLN A 85 5.307 -4.374 4.082 1.00 35.22 C ATOM 1325 C GLN A 85 4.445 -5.355 4.868 1.00 54.11 C ATOM 1326 O GLN A 85 4.649 -6.567 4.802 1.00 4.20 O ATOM 1327 CB GLN A 85 6.571 -4.036 4.875 1.00 71.52 C ATOM 1328 CG GLN A 85 6.298 -3.269 6.158 1.00 64.15 C ATOM 1329 CD GLN A 85 7.479 -3.281 7.108 1.00 22.10 C ATOM 1330 OE1 GLN A 85 7.504 -4.039 8.077 1.00 1.14 O ATOM 1331 NE2 GLN A 85 8.469 -2.438 6.833 1.00 4.54 N ATOM 0 H GLN A 85 5.069 -2.293 3.968 1.00 13.44 H new ATOM 0 HA GLN A 85 5.592 -4.844 3.141 1.00 35.22 H new ATOM 0 HB2 GLN A 85 7.095 -4.960 5.119 1.00 71.52 H new ATOM 0 HB3 GLN A 85 7.238 -3.448 4.245 1.00 71.52 H new ATOM 0 HG2 GLN A 85 6.044 -2.238 5.913 1.00 64.15 H new ATOM 0 HG3 GLN A 85 5.431 -3.701 6.657 1.00 64.15 H new ATOM 0 HE21 GLN A 85 8.407 -1.827 6.019 1.00 4.54 H new ATOM 0 HE22 GLN A 85 9.291 -2.402 7.436 1.00 4.54 H new ATOM 1340 N ASN A 86 3.481 -4.823 5.615 1.00 34.22 N ATOM 1341 CA ASN A 86 2.590 -5.654 6.415 1.00 54.01 C ATOM 1342 C ASN A 86 1.397 -6.126 5.589 1.00 31.14 C ATOM 1343 O ASN A 86 0.875 -7.221 5.802 1.00 42.13 O ATOM 1344 CB ASN A 86 2.101 -4.878 7.641 1.00 44.45 C ATOM 1345 CG ASN A 86 2.867 -5.239 8.897 1.00 31.12 C ATOM 1346 OD1 ASN A 86 3.380 -6.349 9.028 1.00 54.15 O ATOM 1347 ND2 ASN A 86 2.948 -4.298 9.831 1.00 4.44 N ATOM 0 H ASN A 86 3.298 -3.822 5.682 1.00 34.22 H new ATOM 0 HA ASN A 86 3.149 -6.530 6.745 1.00 54.01 H new ATOM 0 HB2 ASN A 86 2.199 -3.809 7.454 1.00 44.45 H new ATOM 0 HB3 ASN A 86 1.041 -5.078 7.795 1.00 44.45 H new ATOM 0 HD21 ASN A 86 3.451 -4.483 10.699 1.00 4.44 H new ATOM 0 HD22 ASN A 86 2.507 -3.391 9.680 1.00 4.44 H new ATOM 1354 N VAL A 87 0.974 -5.294 4.644 1.00 65.51 N ATOM 1355 CA VAL A 87 -0.155 -5.627 3.783 1.00 3.41 C ATOM 1356 C VAL A 87 0.218 -6.717 2.784 1.00 61.15 C ATOM 1357 O VAL A 87 -0.514 -7.692 2.613 1.00 51.30 O ATOM 1358 CB VAL A 87 -0.657 -4.390 3.013 1.00 73.21 C ATOM 1359 CG1 VAL A 87 -1.574 -4.807 1.872 1.00 55.24 C ATOM 1360 CG2 VAL A 87 -1.366 -3.428 3.953 1.00 60.22 C ATOM 0 H VAL A 87 1.395 -4.385 4.455 1.00 65.51 H new ATOM 0 HA VAL A 87 -0.952 -5.991 4.432 1.00 3.41 H new ATOM 0 HB VAL A 87 0.204 -3.876 2.586 1.00 73.21 H new ATOM 0 HG11 VAL A 87 -1.919 -3.920 1.340 1.00 55.24 H new ATOM 0 HG12 VAL A 87 -1.029 -5.454 1.185 1.00 55.24 H new ATOM 0 HG13 VAL A 87 -2.432 -5.346 2.273 1.00 55.24 H new ATOM 0 HG21 VAL A 87 -1.714 -2.561 3.392 1.00 60.22 H new ATOM 0 HG22 VAL A 87 -2.219 -3.929 4.411 1.00 60.22 H new ATOM 0 HG23 VAL A 87 -0.675 -3.104 4.731 1.00 60.22 H new ATOM 1370 N ARG A 88 1.360 -6.545 2.128 1.00 71.25 N ATOM 1371 CA ARG A 88 1.829 -7.515 1.145 1.00 12.15 C ATOM 1372 C ARG A 88 1.678 -8.939 1.671 1.00 44.03 C ATOM 1373 O ARG A 88 1.185 -9.823 0.970 1.00 14.13 O ATOM 1374 CB ARG A 88 3.294 -7.244 0.790 1.00 64.14 C ATOM 1375 CG ARG A 88 3.470 -6.388 -0.455 1.00 52.23 C ATOM 1376 CD ARG A 88 4.938 -6.215 -0.807 1.00 63.21 C ATOM 1377 NE ARG A 88 5.178 -6.370 -2.240 1.00 60.02 N ATOM 1378 CZ ARG A 88 4.841 -7.454 -2.929 1.00 53.23 C ATOM 1379 NH1 ARG A 88 4.252 -8.474 -2.321 1.00 53.51 N ATOM 1380 NH2 ARG A 88 5.093 -7.519 -4.230 1.00 62.31 N ATOM 0 H ARG A 88 1.978 -5.744 2.259 1.00 71.25 H new ATOM 0 HA ARG A 88 1.218 -7.411 0.248 1.00 12.15 H new ATOM 0 HB2 ARG A 88 3.778 -6.749 1.632 1.00 64.14 H new ATOM 0 HB3 ARG A 88 3.805 -8.195 0.642 1.00 64.14 H new ATOM 0 HG2 ARG A 88 2.946 -6.849 -1.292 1.00 52.23 H new ATOM 0 HG3 ARG A 88 3.016 -5.411 -0.293 1.00 52.23 H new ATOM 0 HD2 ARG A 88 5.274 -5.228 -0.488 1.00 63.21 H new ATOM 0 HD3 ARG A 88 5.531 -6.947 -0.259 1.00 63.21 H new ATOM 0 HE ARG A 88 5.629 -5.603 -2.739 1.00 60.02 H new ATOM 0 HH11 ARG A 88 4.056 -8.428 -1.321 1.00 53.51 H new ATOM 0 HH12 ARG A 88 3.994 -9.305 -2.853 1.00 53.51 H new ATOM 0 HH21 ARG A 88 5.546 -6.736 -4.701 1.00 62.31 H new ATOM 0 HH22 ARG A 88 4.834 -8.352 -4.759 1.00 62.31 H new ATOM 1394 N THR A 89 2.106 -9.155 2.912 1.00 4.44 N ATOM 1395 CA THR A 89 2.020 -10.471 3.532 1.00 41.11 C ATOM 1396 C THR A 89 0.576 -10.957 3.591 1.00 51.04 C ATOM 1397 O THR A 89 0.289 -12.116 3.291 1.00 51.23 O ATOM 1398 CB THR A 89 2.605 -10.461 4.957 1.00 2.01 C ATOM 1399 OG1 THR A 89 3.943 -10.967 4.940 1.00 13.30 O ATOM 1400 CG2 THR A 89 1.751 -11.298 5.897 1.00 14.12 C ATOM 0 H THR A 89 2.516 -8.435 3.507 1.00 4.44 H new ATOM 0 HA THR A 89 2.605 -11.151 2.913 1.00 41.11 H new ATOM 0 HB THR A 89 2.612 -9.432 5.317 1.00 2.01 H new ATOM 0 HG1 THR A 89 4.309 -10.956 5.849 1.00 13.30 H new ATOM 0 HG21 THR A 89 2.183 -11.276 6.897 1.00 14.12 H new ATOM 0 HG22 THR A 89 0.740 -10.891 5.929 1.00 14.12 H new ATOM 0 HG23 THR A 89 1.717 -12.327 5.539 1.00 14.12 H new ATOM 1408 N ARG A 90 -0.330 -10.065 3.978 1.00 23.53 N ATOM 1409 CA ARG A 90 -1.743 -10.404 4.076 1.00 51.42 C ATOM 1410 C ARG A 90 -2.299 -10.818 2.716 1.00 22.03 C ATOM 1411 O ARG A 90 -3.009 -11.819 2.602 1.00 44.41 O ATOM 1412 CB ARG A 90 -2.538 -9.217 4.623 1.00 11.42 C ATOM 1413 CG ARG A 90 -2.001 -8.680 5.940 1.00 4.43 C ATOM 1414 CD ARG A 90 -2.167 -9.689 7.064 1.00 62.43 C ATOM 1415 NE ARG A 90 -3.328 -9.395 7.897 1.00 52.35 N ATOM 1416 CZ ARG A 90 -3.782 -10.212 8.841 1.00 30.33 C ATOM 1417 NH1 ARG A 90 -3.174 -11.368 9.070 1.00 41.34 N ATOM 1418 NH2 ARG A 90 -4.846 -9.874 9.558 1.00 53.41 N ATOM 0 H ARG A 90 -0.109 -9.101 4.229 1.00 23.53 H new ATOM 0 HA ARG A 90 -1.841 -11.246 4.762 1.00 51.42 H new ATOM 0 HB2 ARG A 90 -2.533 -8.416 3.884 1.00 11.42 H new ATOM 0 HB3 ARG A 90 -3.577 -9.518 4.759 1.00 11.42 H new ATOM 0 HG2 ARG A 90 -0.946 -8.429 5.828 1.00 4.43 H new ATOM 0 HG3 ARG A 90 -2.523 -7.758 6.198 1.00 4.43 H new ATOM 0 HD2 ARG A 90 -2.268 -10.689 6.641 1.00 62.43 H new ATOM 0 HD3 ARG A 90 -1.269 -9.694 7.682 1.00 62.43 H new ATOM 0 HE ARG A 90 -3.818 -8.513 7.746 1.00 52.35 H new ATOM 0 HH11 ARG A 90 -2.356 -11.632 8.521 1.00 41.34 H new ATOM 0 HH12 ARG A 90 -3.524 -11.994 9.795 1.00 41.34 H new ATOM 0 HH21 ARG A 90 -5.317 -8.986 9.385 1.00 53.41 H new ATOM 0 HH22 ARG A 90 -5.193 -10.502 10.282 1.00 53.41 H new ATOM 1432 N LEU A 91 -1.973 -10.042 1.689 1.00 30.43 N ATOM 1433 CA LEU A 91 -2.439 -10.327 0.336 1.00 31.13 C ATOM 1434 C LEU A 91 -1.803 -11.605 -0.201 1.00 50.25 C ATOM 1435 O LEU A 91 -2.203 -12.117 -1.246 1.00 64.15 O ATOM 1436 CB LEU A 91 -2.119 -9.156 -0.593 1.00 45.43 C ATOM 1437 CG LEU A 91 -2.569 -9.308 -2.046 1.00 4.22 C ATOM 1438 CD1 LEU A 91 -4.064 -9.579 -2.116 1.00 52.42 C ATOM 1439 CD2 LEU A 91 -2.212 -8.066 -2.849 1.00 22.42 C ATOM 0 H LEU A 91 -1.388 -9.210 1.767 1.00 30.43 H new ATOM 0 HA LEU A 91 -3.519 -10.468 0.373 1.00 31.13 H new ATOM 0 HB2 LEU A 91 -2.580 -8.257 -0.183 1.00 45.43 H new ATOM 0 HB3 LEU A 91 -1.041 -8.995 -0.583 1.00 45.43 H new ATOM 0 HG LEU A 91 -2.045 -10.159 -2.481 1.00 4.22 H new ATOM 0 HD11 LEU A 91 -4.366 -9.684 -3.158 1.00 52.42 H new ATOM 0 HD12 LEU A 91 -4.293 -10.498 -1.577 1.00 52.42 H new ATOM 0 HD13 LEU A 91 -4.606 -8.749 -1.663 1.00 52.42 H new ATOM 0 HD21 LEU A 91 -2.540 -8.193 -3.881 1.00 22.42 H new ATOM 0 HD22 LEU A 91 -2.707 -7.197 -2.415 1.00 22.42 H new ATOM 0 HD23 LEU A 91 -1.132 -7.917 -2.827 1.00 22.42 H new ATOM 1451 N GLU A 92 -0.812 -12.117 0.523 1.00 54.15 N ATOM 1452 CA GLU A 92 -0.123 -13.336 0.119 1.00 34.40 C ATOM 1453 C GLU A 92 -0.803 -14.568 0.710 1.00 34.04 C ATOM 1454 O GLU A 92 -1.248 -15.454 -0.018 1.00 52.40 O ATOM 1455 CB GLU A 92 1.343 -13.289 0.557 1.00 63.12 C ATOM 1456 CG GLU A 92 1.778 -14.505 1.357 1.00 34.13 C ATOM 1457 CD GLU A 92 3.286 -14.618 1.473 1.00 24.30 C ATOM 1458 OE1 GLU A 92 3.893 -13.776 2.168 1.00 44.42 O ATOM 1459 OE2 GLU A 92 3.861 -15.547 0.867 1.00 31.20 O ATOM 0 H GLU A 92 -0.469 -11.706 1.391 1.00 54.15 H new ATOM 0 HA GLU A 92 -0.168 -13.405 -0.968 1.00 34.40 H new ATOM 0 HB2 GLU A 92 1.975 -13.201 -0.327 1.00 63.12 H new ATOM 0 HB3 GLU A 92 1.506 -12.393 1.156 1.00 63.12 H new ATOM 0 HG2 GLU A 92 1.343 -14.453 2.355 1.00 34.13 H new ATOM 0 HG3 GLU A 92 1.385 -15.405 0.885 1.00 34.13 H new ATOM 1467 N ILE A 93 -0.877 -14.615 2.037 1.00 31.34 N ATOM 1468 CA ILE A 93 -1.502 -15.736 2.728 1.00 64.21 C ATOM 1469 C ILE A 93 -2.947 -15.921 2.278 1.00 74.35 C ATOM 1470 O ILE A 93 -3.524 -16.998 2.434 1.00 11.25 O ATOM 1471 CB ILE A 93 -1.471 -15.545 4.255 1.00 31.23 C ATOM 1472 CG1 ILE A 93 -0.029 -15.571 4.766 1.00 41.10 C ATOM 1473 CG2 ILE A 93 -2.301 -16.621 4.940 1.00 5.40 C ATOM 1474 CD1 ILE A 93 0.121 -15.046 6.176 1.00 33.13 C ATOM 0 H ILE A 93 -0.512 -13.890 2.654 1.00 31.34 H new ATOM 0 HA ILE A 93 -0.927 -16.626 2.471 1.00 64.21 H new ATOM 0 HB ILE A 93 -1.903 -14.573 4.493 1.00 31.23 H new ATOM 0 HG12 ILE A 93 0.344 -16.595 4.726 1.00 41.10 H new ATOM 0 HG13 ILE A 93 0.596 -14.978 4.098 1.00 41.10 H new ATOM 0 HG21 ILE A 93 -2.269 -16.473 6.019 1.00 5.40 H new ATOM 0 HG22 ILE A 93 -3.333 -16.559 4.595 1.00 5.40 H new ATOM 0 HG23 ILE A 93 -1.896 -17.603 4.697 1.00 5.40 H new ATOM 0 HD11 ILE A 93 1.169 -15.094 6.473 1.00 33.13 H new ATOM 0 HD12 ILE A 93 -0.221 -14.012 6.217 1.00 33.13 H new ATOM 0 HD13 ILE A 93 -0.477 -15.653 6.856 1.00 33.13 H new ATOM 1486 N LEU A 94 -3.527 -14.866 1.717 1.00 4.51 N ATOM 1487 CA LEU A 94 -4.905 -14.910 1.243 1.00 54.34 C ATOM 1488 C LEU A 94 -4.999 -15.656 -0.085 1.00 31.04 C ATOM 1489 O LEU A 94 -5.709 -16.654 -0.198 1.00 22.32 O ATOM 1490 CB LEU A 94 -5.460 -13.494 1.087 1.00 31.02 C ATOM 1491 CG LEU A 94 -6.422 -13.026 2.178 1.00 63.13 C ATOM 1492 CD1 LEU A 94 -6.127 -11.586 2.569 1.00 12.11 C ATOM 1493 CD2 LEU A 94 -7.865 -13.168 1.714 1.00 33.44 C ATOM 0 H LEU A 94 -3.063 -13.968 1.579 1.00 4.51 H new ATOM 0 HA LEU A 94 -5.500 -15.445 1.983 1.00 54.34 H new ATOM 0 HB2 LEU A 94 -4.621 -12.799 1.048 1.00 31.02 H new ATOM 0 HB3 LEU A 94 -5.972 -13.430 0.127 1.00 31.02 H new ATOM 0 HG LEU A 94 -6.279 -13.656 3.056 1.00 63.13 H new ATOM 0 HD11 LEU A 94 -6.822 -11.271 3.347 1.00 12.11 H new ATOM 0 HD12 LEU A 94 -5.106 -11.512 2.943 1.00 12.11 H new ATOM 0 HD13 LEU A 94 -6.241 -10.942 1.697 1.00 12.11 H new ATOM 0 HD21 LEU A 94 -8.536 -12.830 2.504 1.00 33.44 H new ATOM 0 HD22 LEU A 94 -8.021 -12.563 0.821 1.00 33.44 H new ATOM 0 HD23 LEU A 94 -8.072 -14.213 1.484 1.00 33.44 H new