USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -177:sc= 0 (180deg=-0.0254) USER MOD Single : A 14 ASN : amide:sc= -1.29 K(o=-1.3,f=-11!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.405 F(o=-2,f=-0.4) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= -0.0779 (180deg=-1.03) USER MOD Single : A 20 SER OG : rot 76:sc= -0.488 USER MOD Single : A 21 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.037) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -5.16! C(o=-5.2!,f=-7.8!) USER MOD Single : A 30 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.5!) USER MOD Single : A 31 HIS : no HE2:sc= -3.92! X(o=-3.9!,f=-4.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 128:sc= -0.355 (180deg=-3.03!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.712 F(o=-1.7,f=-0.71) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -11.7! C(o=-12!,f=-21!) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= 0.923 (180deg=-1.9!) USER MOD Single : A 55 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-2.7!) USER MOD Single : A 56 TYR OH : rot -149:sc= -0.239 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.85 K(o=-0.85,f=-3.1!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.93! F(o=-3.6,f=-2.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 103:sc= 1.41 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.026) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.786 -6.273 -7.092 1.00 0.00 N ATOM 60 CA GLY A 7 -11.987 -7.461 -6.842 1.00 0.00 C ATOM 61 C GLY A 7 -10.737 -7.120 -6.029 1.00 0.00 C ATOM 62 O GLY A 7 -10.756 -7.176 -4.800 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.584 -8.199 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.696 -7.914 -7.790 1.00 0.00 H new ATOM 66 N PRO A 8 -9.651 -6.765 -6.766 1.00 0.00 N ATOM 67 CA PRO A 8 -8.394 -6.415 -6.127 1.00 0.00 C ATOM 68 C PRO A 8 -8.467 -5.021 -5.500 1.00 0.00 C ATOM 69 O PRO A 8 -9.201 -4.159 -5.980 1.00 0.00 O ATOM 70 CB PRO A 8 -7.351 -6.517 -7.228 1.00 0.00 C ATOM 71 CG PRO A 8 -8.121 -6.466 -8.538 1.00 0.00 C ATOM 72 CD PRO A 8 -9.591 -6.688 -8.223 1.00 0.00 C ATOM 0 HA PRO A 8 -8.145 -7.078 -5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.634 -5.698 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.784 -7.444 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.977 -5.503 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.758 -7.231 -9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.205 -5.871 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.961 -7.604 -8.683 1.00 0.00 H new ATOM 80 N LYS A 9 -7.695 -4.844 -4.438 1.00 0.00 N ATOM 81 CA LYS A 9 -7.663 -3.570 -3.741 1.00 0.00 C ATOM 82 C LYS A 9 -6.283 -2.933 -3.915 1.00 0.00 C ATOM 83 O LYS A 9 -5.279 -3.487 -3.470 1.00 0.00 O ATOM 84 CB LYS A 9 -8.078 -3.748 -2.279 1.00 0.00 C ATOM 85 CG LYS A 9 -9.442 -3.106 -2.014 1.00 0.00 C ATOM 86 CD LYS A 9 -10.289 -3.982 -1.090 1.00 0.00 C ATOM 87 CE LYS A 9 -10.026 -3.644 0.379 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.520 -4.728 1.257 1.00 0.00 N ATOM 0 H LYS A 9 -7.087 -5.562 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.389 -2.882 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.118 -4.810 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.328 -3.300 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.304 -2.123 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.966 -2.954 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.346 -3.840 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.063 -5.033 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.958 -3.497 0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.519 -2.706 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.334 -4.482 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.543 -4.849 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.031 -5.615 1.022 1.00 0.00 H new ATOM 102 N LYS A 10 -6.277 -1.777 -4.562 1.00 0.00 N ATOM 103 CA LYS A 10 -5.037 -1.058 -4.800 1.00 0.00 C ATOM 104 C LYS A 10 -4.176 -1.103 -3.536 1.00 0.00 C ATOM 105 O LYS A 10 -4.426 -0.365 -2.584 1.00 0.00 O ATOM 106 CB LYS A 10 -5.325 0.359 -5.298 1.00 0.00 C ATOM 107 CG LYS A 10 -4.368 0.750 -6.426 1.00 0.00 C ATOM 108 CD LYS A 10 -2.917 0.740 -5.941 1.00 0.00 C ATOM 109 CE LYS A 10 -2.035 -0.099 -6.868 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.288 0.774 -7.802 1.00 0.00 N ATOM 0 H LYS A 10 -7.112 -1.320 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.465 -1.539 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.354 0.422 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.228 1.065 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.481 0.058 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.624 1.742 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.537 1.761 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.871 0.339 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.337 -0.692 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.652 -0.800 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.694 0.189 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.959 1.321 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.685 1.426 -7.261 1.00 0.00 H new ATOM 124 N PRO A 11 -3.153 -1.998 -3.568 1.00 0.00 N ATOM 125 CA PRO A 11 -2.254 -2.149 -2.437 1.00 0.00 C ATOM 126 C PRO A 11 -1.272 -0.978 -2.357 1.00 0.00 C ATOM 127 O PRO A 11 -1.233 -0.134 -3.251 1.00 0.00 O ATOM 128 CB PRO A 11 -1.567 -3.486 -2.655 1.00 0.00 C ATOM 129 CG PRO A 11 -1.758 -3.818 -4.126 1.00 0.00 C ATOM 130 CD PRO A 11 -2.827 -2.888 -4.678 1.00 0.00 C ATOM 0 HA PRO A 11 -2.776 -2.137 -1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.508 -3.427 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.004 -4.257 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.823 -3.691 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.058 -4.859 -4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.460 -2.329 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.703 -3.445 -5.010 1.00 0.00 H new ATOM 138 N PRO A 12 -0.483 -0.964 -1.250 1.00 0.00 N ATOM 139 CA PRO A 12 0.496 0.090 -1.042 1.00 0.00 C ATOM 140 C PRO A 12 1.713 -0.106 -1.949 1.00 0.00 C ATOM 141 O PRO A 12 1.735 -1.016 -2.776 1.00 0.00 O ATOM 142 CB PRO A 12 0.841 0.020 0.437 1.00 0.00 C ATOM 143 CG PRO A 12 0.398 -1.357 0.904 1.00 0.00 C ATOM 144 CD PRO A 12 -0.501 -1.946 -0.170 1.00 0.00 C ATOM 0 HA PRO A 12 0.113 1.077 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.910 0.161 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.330 0.805 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.262 -1.999 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.136 -1.285 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.131 -2.914 -0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.513 -2.105 0.204 1.00 0.00 H new ATOM 152 N MET A 13 2.696 0.763 -1.763 1.00 0.00 N ATOM 153 CA MET A 13 3.913 0.697 -2.554 1.00 0.00 C ATOM 154 C MET A 13 5.103 0.267 -1.694 1.00 0.00 C ATOM 155 O MET A 13 5.682 -0.795 -1.916 1.00 0.00 O ATOM 156 CB MET A 13 4.196 2.069 -3.170 1.00 0.00 C ATOM 157 CG MET A 13 3.345 2.295 -4.421 1.00 0.00 C ATOM 158 SD MET A 13 4.396 2.665 -5.815 1.00 0.00 S ATOM 159 CE MET A 13 4.951 4.300 -5.360 1.00 0.00 C ATOM 0 H MET A 13 2.674 1.517 -1.076 1.00 0.00 H new ATOM 0 HA MET A 13 3.773 -0.043 -3.342 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.988 2.850 -2.438 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.253 2.146 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.748 1.407 -4.630 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.647 3.115 -4.253 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.579 4.705 -6.153 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.088 4.950 -5.214 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.525 4.245 -4.435 1.00 0.00 H new ATOM 169 N ASN A 14 5.433 1.115 -0.731 1.00 0.00 N ATOM 170 CA ASN A 14 6.544 0.836 0.163 1.00 0.00 C ATOM 171 C ASN A 14 6.002 0.513 1.557 1.00 0.00 C ATOM 172 O ASN A 14 4.979 1.056 1.970 1.00 0.00 O ATOM 173 CB ASN A 14 7.471 2.048 0.285 1.00 0.00 C ATOM 174 CG ASN A 14 6.675 3.353 0.241 1.00 0.00 C ATOM 175 OD1 ASN A 14 5.711 3.548 0.963 1.00 0.00 O ATOM 176 ND2 ASN A 14 7.130 4.235 -0.645 1.00 0.00 N ATOM 0 H ASN A 14 4.951 1.995 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 14 7.103 -0.006 -0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.030 1.990 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.201 2.035 -0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.666 5.137 -0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.942 4.009 -1.219 1.00 0.00 H new ATOM 183 N GLY A 15 6.713 -0.369 2.243 1.00 0.00 N ATOM 184 CA GLY A 15 6.317 -0.771 3.582 1.00 0.00 C ATOM 185 C GLY A 15 5.816 0.429 4.389 1.00 0.00 C ATOM 186 O GLY A 15 4.984 0.278 5.282 1.00 0.00 O ATOM 0 H GLY A 15 7.561 -0.817 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.533 -1.526 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.163 -1.230 4.093 1.00 0.00 H new ATOM 190 N TYR A 16 6.345 1.594 4.046 1.00 0.00 N ATOM 191 CA TYR A 16 5.962 2.819 4.727 1.00 0.00 C ATOM 192 C TYR A 16 4.467 3.096 4.559 1.00 0.00 C ATOM 193 O TYR A 16 3.717 3.091 5.534 1.00 0.00 O ATOM 194 CB TYR A 16 6.755 3.942 4.054 1.00 0.00 C ATOM 195 CG TYR A 16 6.420 5.340 4.576 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.230 5.545 5.927 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.308 6.397 3.695 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.914 6.861 6.419 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.993 7.713 4.187 1.00 0.00 C ATOM 200 CZ TYR A 16 5.811 7.880 5.524 1.00 0.00 C ATOM 201 OH TYR A 16 5.513 9.123 5.988 1.00 0.00 O ATOM 0 H TYR A 16 7.036 1.716 3.305 1.00 0.00 H new ATOM 0 HA TYR A 16 6.167 2.744 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.820 3.757 4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.568 3.912 2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.318 4.718 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.457 6.237 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.762 7.035 7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.903 8.549 3.509 1.00 0.00 H new ATOM 0 HH TYR A 16 5.473 9.751 5.237 1.00 0.00 H new ATOM 211 N GLN A 17 4.077 3.331 3.314 1.00 0.00 N ATOM 212 CA GLN A 17 2.685 3.610 3.006 1.00 0.00 C ATOM 213 C GLN A 17 1.783 2.528 3.602 1.00 0.00 C ATOM 214 O GLN A 17 0.624 2.788 3.924 1.00 0.00 O ATOM 215 CB GLN A 17 2.472 3.731 1.495 1.00 0.00 C ATOM 216 CG GLN A 17 2.975 5.079 0.977 1.00 0.00 C ATOM 217 CD GLN A 17 2.492 5.332 -0.453 1.00 0.00 C ATOM 218 OE1 GLN A 17 2.528 4.256 -1.234 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.111 6.431 -0.822 1.00 0.00 N flip ATOM 0 H GLN A 17 4.701 3.334 2.507 1.00 0.00 H new ATOM 0 HA GLN A 17 2.418 4.566 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.996 2.923 0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.413 3.621 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.623 5.878 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.064 5.100 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.109 7.215 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.794 6.565 -1.782 1.00 0.00 H new ATOM 228 N LYS A 18 2.348 1.336 3.731 1.00 0.00 N ATOM 229 CA LYS A 18 1.609 0.213 4.283 1.00 0.00 C ATOM 230 C LYS A 18 1.304 0.484 5.758 1.00 0.00 C ATOM 231 O LYS A 18 0.141 0.556 6.153 1.00 0.00 O ATOM 232 CB LYS A 18 2.363 -1.096 4.041 1.00 0.00 C ATOM 233 CG LYS A 18 1.609 -2.282 4.644 1.00 0.00 C ATOM 234 CD LYS A 18 1.264 -3.316 3.570 1.00 0.00 C ATOM 235 CE LYS A 18 0.499 -4.497 4.171 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.811 -4.660 3.501 1.00 0.00 N ATOM 0 H LYS A 18 3.309 1.124 3.463 1.00 0.00 H new ATOM 0 HA LYS A 18 0.651 0.101 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.495 -1.251 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.359 -1.033 4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.217 -2.747 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.695 -1.931 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.664 -2.848 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.179 -3.673 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.085 -5.410 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.351 -4.336 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.568 -4.663 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.963 -3.872 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.824 -5.559 2.978 1.00 0.00 H new ATOM 250 N PHE A 19 2.370 0.628 6.532 1.00 0.00 N ATOM 251 CA PHE A 19 2.231 0.889 7.955 1.00 0.00 C ATOM 252 C PHE A 19 1.420 2.163 8.202 1.00 0.00 C ATOM 253 O PHE A 19 0.500 2.169 9.018 1.00 0.00 O ATOM 254 CB PHE A 19 3.642 1.081 8.514 1.00 0.00 C ATOM 255 CG PHE A 19 3.702 1.964 9.762 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.142 1.537 10.925 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.317 3.177 9.708 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.198 2.357 12.083 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.372 3.996 10.866 1.00 0.00 C ATOM 260 CZ PHE A 19 3.812 3.569 12.029 1.00 0.00 C ATOM 0 H PHE A 19 3.333 0.569 6.201 1.00 0.00 H new ATOM 0 HA PHE A 19 1.712 0.060 8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.064 0.104 8.752 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.272 1.520 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.655 0.574 10.968 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.763 3.516 8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.753 2.018 13.007 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.859 4.959 10.823 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.855 4.192 12.910 1.00 0.00 H new ATOM 270 N SER A 20 1.791 3.211 7.481 1.00 0.00 N ATOM 271 CA SER A 20 1.109 4.488 7.612 1.00 0.00 C ATOM 272 C SER A 20 -0.404 4.270 7.669 1.00 0.00 C ATOM 273 O SER A 20 -1.078 4.798 8.553 1.00 0.00 O ATOM 274 CB SER A 20 1.467 5.424 6.456 1.00 0.00 C ATOM 275 OG SER A 20 2.806 5.904 6.552 1.00 0.00 O ATOM 0 H SER A 20 2.554 3.202 6.805 1.00 0.00 H new ATOM 0 HA SER A 20 1.437 4.957 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.338 4.898 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.779 6.269 6.447 1.00 0.00 H new ATOM 0 HG SER A 20 3.427 5.197 6.278 1.00 0.00 H new ATOM 281 N GLN A 21 -0.894 3.491 6.716 1.00 0.00 N ATOM 282 CA GLN A 21 -2.315 3.197 6.647 1.00 0.00 C ATOM 283 C GLN A 21 -2.817 2.681 7.997 1.00 0.00 C ATOM 284 O GLN A 21 -3.964 2.920 8.370 1.00 0.00 O ATOM 285 CB GLN A 21 -2.614 2.193 5.532 1.00 0.00 C ATOM 286 CG GLN A 21 -3.405 2.850 4.399 1.00 0.00 C ATOM 287 CD GLN A 21 -4.862 2.384 4.407 1.00 0.00 C ATOM 288 OE1 GLN A 21 -5.167 1.212 4.255 1.00 0.00 O ATOM 289 NE2 GLN A 21 -5.743 3.363 4.591 1.00 0.00 N ATOM 0 H GLN A 21 -0.332 3.054 5.985 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.845 4.120 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.680 1.789 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.180 1.354 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.365 3.934 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.946 2.606 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.421 4.323 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.741 3.154 4.611 1.00 0.00 H new ATOM 298 N GLU A 22 -1.932 1.984 8.694 1.00 0.00 N ATOM 299 CA GLU A 22 -2.270 1.433 9.995 1.00 0.00 C ATOM 300 C GLU A 22 -2.623 2.556 10.972 1.00 0.00 C ATOM 301 O GLU A 22 -3.665 2.513 11.624 1.00 0.00 O ATOM 302 CB GLU A 22 -1.129 0.571 10.540 1.00 0.00 C ATOM 303 CG GLU A 22 -1.672 -0.628 11.320 1.00 0.00 C ATOM 304 CD GLU A 22 -0.903 -1.904 10.969 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.848 -2.220 9.761 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.387 -2.534 11.918 1.00 0.00 O ATOM 0 H GLU A 22 -0.981 1.788 8.382 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.143 0.791 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.507 0.222 9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.492 1.173 11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.595 -0.435 12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.730 -0.763 11.096 1.00 0.00 H new ATOM 313 N LEU A 23 -1.734 3.536 11.043 1.00 0.00 N ATOM 314 CA LEU A 23 -1.938 4.669 11.930 1.00 0.00 C ATOM 315 C LEU A 23 -3.253 5.363 11.569 1.00 0.00 C ATOM 316 O LEU A 23 -3.788 6.138 12.360 1.00 0.00 O ATOM 317 CB LEU A 23 -0.724 5.599 11.899 1.00 0.00 C ATOM 318 CG LEU A 23 0.560 5.047 12.521 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.790 5.496 11.730 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.660 5.426 14.000 1.00 0.00 C ATOM 0 H LEU A 23 -0.871 3.569 10.501 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.027 4.333 12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.518 5.861 10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.986 6.523 12.415 1.00 0.00 H new ATOM 0 HG LEU A 23 0.524 3.959 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.689 5.090 12.194 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.715 5.134 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.843 6.585 11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.582 5.021 14.418 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.663 6.512 14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.194 5.016 14.539 1.00 0.00 H new ATOM 332 N LEU A 24 -3.737 5.059 10.373 1.00 0.00 N ATOM 333 CA LEU A 24 -4.980 5.643 9.898 1.00 0.00 C ATOM 334 C LEU A 24 -6.145 4.722 10.265 1.00 0.00 C ATOM 335 O LEU A 24 -7.296 5.154 10.295 1.00 0.00 O ATOM 336 CB LEU A 24 -4.888 5.953 8.403 1.00 0.00 C ATOM 337 CG LEU A 24 -3.752 6.886 7.979 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.918 7.327 6.523 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.638 8.079 8.930 1.00 0.00 C ATOM 0 H LEU A 24 -3.291 4.416 9.719 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.164 6.599 10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.779 5.012 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.832 6.395 8.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.815 6.333 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.097 7.989 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.911 6.451 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.865 7.855 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.823 8.726 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.572 8.641 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.437 7.721 9.940 1.00 0.00 H new ATOM 351 N SER A 25 -5.805 3.470 10.536 1.00 0.00 N ATOM 352 CA SER A 25 -6.809 2.485 10.900 1.00 0.00 C ATOM 353 C SER A 25 -6.893 2.361 12.423 1.00 0.00 C ATOM 354 O SER A 25 -7.961 2.087 12.969 1.00 0.00 O ATOM 355 CB SER A 25 -6.498 1.124 10.274 1.00 0.00 C ATOM 356 OG SER A 25 -7.208 0.922 9.055 1.00 0.00 O ATOM 0 H SER A 25 -4.849 3.116 10.511 1.00 0.00 H new ATOM 0 HA SER A 25 -7.772 2.821 10.515 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.427 1.047 10.087 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.756 0.333 10.979 1.00 0.00 H new ATOM 0 HG SER A 25 -6.981 0.043 8.686 1.00 0.00 H new ATOM 362 N ASN A 26 -5.753 2.570 13.065 1.00 0.00 N ATOM 363 CA ASN A 26 -5.684 2.485 14.514 1.00 0.00 C ATOM 364 C ASN A 26 -6.134 3.816 15.120 1.00 0.00 C ATOM 365 O ASN A 26 -6.322 3.919 16.332 1.00 0.00 O ATOM 366 CB ASN A 26 -4.254 2.212 14.983 1.00 0.00 C ATOM 367 CG ASN A 26 -3.464 1.448 13.917 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.986 0.605 13.206 1.00 0.00 O ATOM 369 ND2 ASN A 26 -2.181 1.790 13.847 1.00 0.00 N ATOM 0 H ASN A 26 -4.870 2.798 12.608 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.330 1.668 14.835 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.754 3.155 15.205 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.274 1.636 15.908 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.569 1.338 13.167 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.809 2.504 14.473 1.00 0.00 H new ATOM 376 N GLY A 27 -6.294 4.802 14.250 1.00 0.00 N ATOM 377 CA GLY A 27 -6.719 6.122 14.684 1.00 0.00 C ATOM 378 C GLY A 27 -5.652 6.779 15.563 1.00 0.00 C ATOM 379 O GLY A 27 -5.918 7.783 16.222 1.00 0.00 O ATOM 0 H GLY A 27 -6.137 4.713 13.246 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.916 6.749 13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.654 6.043 15.238 1.00 0.00 H new ATOM 383 N GLU A 28 -4.468 6.185 15.545 1.00 0.00 N ATOM 384 CA GLU A 28 -3.361 6.700 16.332 1.00 0.00 C ATOM 385 C GLU A 28 -3.290 8.224 16.217 1.00 0.00 C ATOM 386 O GLU A 28 -2.985 8.910 17.190 1.00 0.00 O ATOM 387 CB GLU A 28 -2.040 6.056 15.907 1.00 0.00 C ATOM 388 CG GLU A 28 -1.356 5.372 17.093 1.00 0.00 C ATOM 389 CD GLU A 28 -1.440 6.241 18.350 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.067 7.429 18.244 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.875 5.697 19.387 1.00 0.00 O ATOM 0 H GLU A 28 -4.251 5.352 14.998 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.534 6.442 17.377 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.224 5.326 15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.379 6.816 15.490 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.826 4.407 17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.311 5.176 16.851 1.00 0.00 H new ATOM 398 N LEU A 29 -3.578 8.708 15.017 1.00 0.00 N ATOM 399 CA LEU A 29 -3.551 10.138 14.761 1.00 0.00 C ATOM 400 C LEU A 29 -4.791 10.531 13.956 1.00 0.00 C ATOM 401 O LEU A 29 -4.703 11.329 13.024 1.00 0.00 O ATOM 402 CB LEU A 29 -2.233 10.539 14.096 1.00 0.00 C ATOM 403 CG LEU A 29 -1.104 9.509 14.171 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.252 9.536 12.900 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.260 9.711 15.430 1.00 0.00 C ATOM 0 H LEU A 29 -3.831 8.135 14.212 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.590 10.693 15.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.430 10.757 13.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.885 11.465 14.554 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.551 8.517 14.239 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.543 8.795 12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.878 9.306 12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.186 10.526 12.777 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.535 8.966 15.458 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.178 10.709 15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.891 9.602 16.312 1.00 0.00 H new ATOM 417 N ASN A 30 -5.918 9.952 14.344 1.00 0.00 N ATOM 418 CA ASN A 30 -7.174 10.232 13.670 1.00 0.00 C ATOM 419 C ASN A 30 -7.861 11.417 14.351 1.00 0.00 C ATOM 420 O ASN A 30 -9.064 11.617 14.191 1.00 0.00 O ATOM 421 CB ASN A 30 -8.119 9.031 13.744 1.00 0.00 C ATOM 422 CG ASN A 30 -8.136 8.264 12.420 1.00 0.00 C ATOM 423 OD1 ASN A 30 -7.383 8.543 11.502 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.033 7.284 12.375 1.00 0.00 N ATOM 0 H ASN A 30 -5.987 9.290 15.117 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.954 10.453 12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.806 8.366 14.549 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.126 9.371 13.985 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.122 6.712 11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.633 7.104 13.180 1.00 0.00 H new ATOM 431 N HIS A 31 -7.067 12.171 15.097 1.00 0.00 N ATOM 432 CA HIS A 31 -7.584 13.331 15.804 1.00 0.00 C ATOM 433 C HIS A 31 -7.229 14.603 15.031 1.00 0.00 C ATOM 434 O HIS A 31 -7.826 15.655 15.254 1.00 0.00 O ATOM 435 CB HIS A 31 -7.082 13.355 17.249 1.00 0.00 C ATOM 436 CG HIS A 31 -5.577 13.328 17.376 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.857 12.153 17.502 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.666 14.342 17.396 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.571 12.459 17.593 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.455 13.816 17.527 1.00 0.00 N ATOM 0 H HIS A 31 -6.070 12.002 15.227 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.671 13.273 15.860 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.462 14.251 17.740 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.497 12.499 17.781 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -5.249 11.212 17.522 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.892 15.395 17.318 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.757 11.757 17.701 1.00 0.00 H new ATOM 448 N LEU A 32 -6.259 14.464 14.140 1.00 0.00 N ATOM 449 CA LEU A 32 -5.818 15.589 13.333 1.00 0.00 C ATOM 450 C LEU A 32 -6.084 15.288 11.857 1.00 0.00 C ATOM 451 O LEU A 32 -6.424 14.161 11.501 1.00 0.00 O ATOM 452 CB LEU A 32 -4.357 15.927 13.638 1.00 0.00 C ATOM 453 CG LEU A 32 -3.561 14.851 14.380 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.088 13.758 13.419 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.400 15.469 15.162 1.00 0.00 C ATOM 0 H LEU A 32 -5.766 13.590 13.959 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.387 16.484 13.584 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.850 16.142 12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.332 16.842 14.230 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.222 14.377 15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.525 13.006 13.972 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.952 13.290 12.947 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.450 14.198 12.653 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.851 14.683 15.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.731 15.985 14.473 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.790 16.180 15.891 1.00 0.00 H new ATOM 467 N PRO A 33 -5.914 16.343 11.016 1.00 0.00 N ATOM 468 CA PRO A 33 -6.132 16.203 9.586 1.00 0.00 C ATOM 469 C PRO A 33 -4.977 15.447 8.927 1.00 0.00 C ATOM 470 O PRO A 33 -3.864 15.429 9.449 1.00 0.00 O ATOM 471 CB PRO A 33 -6.284 17.624 9.070 1.00 0.00 C ATOM 472 CG PRO A 33 -5.685 18.522 10.140 1.00 0.00 C ATOM 473 CD PRO A 33 -5.512 17.692 11.402 1.00 0.00 C ATOM 0 HA PRO A 33 -7.017 15.612 9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.767 17.752 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.333 17.867 8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.725 18.920 9.811 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.336 19.375 10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.480 17.713 11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.131 18.073 12.214 1.00 0.00 H new ATOM 481 N LEU A 34 -5.281 14.841 7.788 1.00 0.00 N ATOM 482 CA LEU A 34 -4.282 14.086 7.052 1.00 0.00 C ATOM 483 C LEU A 34 -2.981 14.889 6.996 1.00 0.00 C ATOM 484 O LEU A 34 -1.926 14.395 7.391 1.00 0.00 O ATOM 485 CB LEU A 34 -4.818 13.687 5.675 1.00 0.00 C ATOM 486 CG LEU A 34 -4.026 12.609 4.933 1.00 0.00 C ATOM 487 CD1 LEU A 34 -4.552 11.213 5.270 1.00 0.00 C ATOM 488 CD2 LEU A 34 -4.021 12.872 3.426 1.00 0.00 C ATOM 0 H LEU A 34 -6.205 14.858 7.357 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.058 13.150 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.844 13.339 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.854 14.579 5.049 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.990 12.653 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.972 10.465 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.460 11.038 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.600 11.139 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.451 12.091 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.045 12.872 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.563 13.841 3.227 1.00 0.00 H new ATOM 500 N LYS A 35 -3.099 16.112 6.502 1.00 0.00 N ATOM 501 CA LYS A 35 -1.945 16.988 6.389 1.00 0.00 C ATOM 502 C LYS A 35 -1.083 16.854 7.647 1.00 0.00 C ATOM 503 O LYS A 35 0.133 17.026 7.591 1.00 0.00 O ATOM 504 CB LYS A 35 -2.388 18.423 6.098 1.00 0.00 C ATOM 505 CG LYS A 35 -1.212 19.395 6.215 1.00 0.00 C ATOM 506 CD LYS A 35 -0.211 19.184 5.076 1.00 0.00 C ATOM 507 CE LYS A 35 1.138 18.704 5.614 1.00 0.00 C ATOM 508 NZ LYS A 35 2.241 19.188 4.754 1.00 0.00 N ATOM 0 H LYS A 35 -3.976 16.518 6.175 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.324 16.693 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.813 18.480 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.175 18.713 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.580 20.421 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.713 19.254 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.606 18.453 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.077 20.116 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.279 19.064 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.153 17.615 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.150 18.853 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.114 18.824 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.236 20.228 4.735 1.00 0.00 H new ATOM 522 N GLU A 36 -1.748 16.548 8.751 1.00 0.00 N ATOM 523 CA GLU A 36 -1.059 16.388 10.020 1.00 0.00 C ATOM 524 C GLU A 36 -0.735 14.913 10.266 1.00 0.00 C ATOM 525 O GLU A 36 0.311 14.589 10.826 1.00 0.00 O ATOM 526 CB GLU A 36 -1.885 16.968 11.170 1.00 0.00 C ATOM 527 CG GLU A 36 -1.712 18.485 11.258 1.00 0.00 C ATOM 528 CD GLU A 36 -1.566 18.936 12.713 1.00 0.00 C ATOM 529 OE1 GLU A 36 -2.435 18.542 13.520 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.587 19.665 12.985 1.00 0.00 O ATOM 0 H GLU A 36 -2.757 16.407 8.793 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.122 16.943 9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.938 16.726 11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.579 16.508 12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.833 18.788 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.571 18.980 10.804 1.00 0.00 H new ATOM 537 N ARG A 37 -1.652 14.059 9.836 1.00 0.00 N ATOM 538 CA ARG A 37 -1.477 12.626 10.003 1.00 0.00 C ATOM 539 C ARG A 37 -0.176 12.170 9.340 1.00 0.00 C ATOM 540 O ARG A 37 0.772 11.786 10.023 1.00 0.00 O ATOM 541 CB ARG A 37 -2.650 11.854 9.396 1.00 0.00 C ATOM 542 CG ARG A 37 -3.978 12.301 10.010 1.00 0.00 C ATOM 543 CD ARG A 37 -5.077 11.269 9.750 1.00 0.00 C ATOM 544 NE ARG A 37 -6.407 11.879 9.975 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.564 11.315 9.602 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.562 10.127 8.983 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.723 11.941 9.847 1.00 0.00 N ATOM 0 H ARG A 37 -2.519 14.332 9.372 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.435 12.419 11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.673 12.010 8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.511 10.786 9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.856 12.445 11.084 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.271 13.263 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.006 10.899 8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.945 10.411 10.409 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.445 12.785 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.680 9.651 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.443 9.698 8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.724 12.846 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.604 11.512 9.563 1.00 0.00 H new ATOM 561 N MET A 38 -0.173 12.225 8.016 1.00 0.00 N ATOM 562 CA MET A 38 0.996 11.822 7.253 1.00 0.00 C ATOM 563 C MET A 38 2.283 12.306 7.924 1.00 0.00 C ATOM 564 O MET A 38 3.094 11.499 8.376 1.00 0.00 O ATOM 565 CB MET A 38 0.908 12.401 5.840 1.00 0.00 C ATOM 566 CG MET A 38 -0.113 11.636 4.996 1.00 0.00 C ATOM 567 SD MET A 38 0.651 10.193 4.273 1.00 0.00 S ATOM 568 CE MET A 38 0.042 8.932 5.380 1.00 0.00 C ATOM 0 H MET A 38 -0.962 12.543 7.452 1.00 0.00 H new ATOM 0 HA MET A 38 1.019 10.733 7.208 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.627 13.453 5.891 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.887 12.355 5.363 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.959 11.338 5.615 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.505 12.282 4.211 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.416 8.130 4.801 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.870 8.530 5.964 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.700 9.365 6.051 1.00 0.00 H new ATOM 578 N VAL A 39 2.430 13.622 7.969 1.00 0.00 N ATOM 579 CA VAL A 39 3.605 14.224 8.577 1.00 0.00 C ATOM 580 C VAL A 39 3.927 13.494 9.883 1.00 0.00 C ATOM 581 O VAL A 39 5.015 12.942 10.037 1.00 0.00 O ATOM 582 CB VAL A 39 3.384 15.725 8.770 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.031 16.000 9.430 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.524 16.348 9.577 1.00 0.00 C ATOM 0 H VAL A 39 1.755 14.289 7.594 1.00 0.00 H new ATOM 0 HA VAL A 39 4.470 14.119 7.923 1.00 0.00 H new ATOM 0 HB VAL A 39 3.377 16.192 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.899 17.075 9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.233 15.608 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.996 15.514 10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.342 17.416 9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.577 15.874 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.467 16.199 9.050 1.00 0.00 H new ATOM 594 N GLU A 40 2.962 13.517 10.790 1.00 0.00 N ATOM 595 CA GLU A 40 3.129 12.865 12.078 1.00 0.00 C ATOM 596 C GLU A 40 3.521 11.399 11.883 1.00 0.00 C ATOM 597 O GLU A 40 4.387 10.885 12.590 1.00 0.00 O ATOM 598 CB GLU A 40 1.859 12.986 12.923 1.00 0.00 C ATOM 599 CG GLU A 40 2.200 13.109 14.409 1.00 0.00 C ATOM 600 CD GLU A 40 2.700 14.517 14.742 1.00 0.00 C ATOM 601 OE1 GLU A 40 3.719 14.914 14.138 1.00 0.00 O ATOM 602 OE2 GLU A 40 2.051 15.163 15.593 1.00 0.00 O ATOM 0 H GLU A 40 2.061 13.977 10.659 1.00 0.00 H new ATOM 0 HA GLU A 40 3.933 13.367 12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.287 13.857 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.226 12.113 12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.318 12.881 15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.963 12.376 14.673 1.00 0.00 H new ATOM 609 N ILE A 41 2.865 10.767 10.922 1.00 0.00 N ATOM 610 CA ILE A 41 3.134 9.370 10.625 1.00 0.00 C ATOM 611 C ILE A 41 4.612 9.204 10.267 1.00 0.00 C ATOM 612 O ILE A 41 5.312 8.390 10.866 1.00 0.00 O ATOM 613 CB ILE A 41 2.178 8.857 9.546 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.731 8.870 10.044 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.602 7.473 9.051 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.252 8.904 8.872 1.00 0.00 C ATOM 0 H ILE A 41 2.147 11.196 10.338 1.00 0.00 H new ATOM 0 HA ILE A 41 2.947 8.752 11.503 1.00 0.00 H new ATOM 0 HB ILE A 41 2.231 9.534 8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.545 7.986 10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.570 9.738 10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.906 7.132 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.606 7.529 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.597 6.771 9.885 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.273 8.913 9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.079 9.801 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.105 8.022 8.248 1.00 0.00 H new ATOM 628 N GLY A 42 5.042 9.990 9.290 1.00 0.00 N ATOM 629 CA GLY A 42 6.424 9.941 8.845 1.00 0.00 C ATOM 630 C GLY A 42 7.379 9.807 10.033 1.00 0.00 C ATOM 631 O GLY A 42 8.368 9.079 9.960 1.00 0.00 O ATOM 0 H GLY A 42 4.458 10.664 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.562 9.099 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.661 10.845 8.284 1.00 0.00 H new ATOM 635 N SER A 43 7.050 10.522 11.098 1.00 0.00 N ATOM 636 CA SER A 43 7.866 10.493 12.300 1.00 0.00 C ATOM 637 C SER A 43 7.902 9.075 12.874 1.00 0.00 C ATOM 638 O SER A 43 8.962 8.586 13.262 1.00 0.00 O ATOM 639 CB SER A 43 7.339 11.475 13.348 1.00 0.00 C ATOM 640 OG SER A 43 8.279 12.507 13.634 1.00 0.00 O ATOM 0 H SER A 43 6.229 11.125 11.154 1.00 0.00 H new ATOM 0 HA SER A 43 8.878 10.797 12.033 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.409 11.920 12.993 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.104 10.935 14.265 1.00 0.00 H new ATOM 0 HG SER A 43 7.904 13.114 14.306 1.00 0.00 H new ATOM 646 N ARG A 44 6.732 8.455 12.909 1.00 0.00 N ATOM 647 CA ARG A 44 6.617 7.102 13.428 1.00 0.00 C ATOM 648 C ARG A 44 7.455 6.138 12.587 1.00 0.00 C ATOM 649 O ARG A 44 8.277 5.395 13.122 1.00 0.00 O ATOM 650 CB ARG A 44 5.160 6.635 13.428 1.00 0.00 C ATOM 651 CG ARG A 44 4.418 7.155 14.661 1.00 0.00 C ATOM 652 CD ARG A 44 3.579 8.387 14.316 1.00 0.00 C ATOM 653 NE ARG A 44 3.485 9.281 15.492 1.00 0.00 N ATOM 654 CZ ARG A 44 4.539 9.866 16.077 1.00 0.00 C ATOM 655 NH1 ARG A 44 5.773 9.656 15.599 1.00 0.00 N ATOM 656 NH2 ARG A 44 4.359 10.661 17.141 1.00 0.00 N ATOM 0 H ARG A 44 5.855 8.864 12.587 1.00 0.00 H new ATOM 0 HA ARG A 44 6.985 7.107 14.454 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.662 6.986 12.524 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.123 5.546 13.410 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.773 6.371 15.059 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.135 7.406 15.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.029 8.920 13.478 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.581 8.081 14.001 1.00 0.00 H new ATOM 0 HE ARG A 44 2.560 9.463 15.881 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.910 9.051 14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.575 10.101 16.045 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.420 10.821 17.505 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.161 11.106 17.586 1.00 0.00 H new ATOM 670 N TRP A 45 7.219 6.180 11.284 1.00 0.00 N ATOM 671 CA TRP A 45 7.942 5.319 10.364 1.00 0.00 C ATOM 672 C TRP A 45 9.438 5.578 10.550 1.00 0.00 C ATOM 673 O TRP A 45 10.255 4.678 10.367 1.00 0.00 O ATOM 674 CB TRP A 45 7.472 5.538 8.924 1.00 0.00 C ATOM 675 CG TRP A 45 8.341 4.844 7.873 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.366 5.358 7.180 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.219 3.478 7.423 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.911 4.427 6.318 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.191 3.248 6.471 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.317 2.471 7.807 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.354 2.017 5.824 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.493 1.246 7.151 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.467 0.999 6.191 1.00 0.00 C ATOM 0 H TRP A 45 6.537 6.797 10.843 1.00 0.00 H new ATOM 0 HA TRP A 45 7.741 4.270 10.580 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.448 5.178 8.828 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.455 6.608 8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.721 6.373 7.283 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.697 4.577 5.686 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.549 2.629 8.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.123 1.862 5.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.825 0.437 7.409 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.539 0.025 5.730 1.00 0.00 H new ATOM 694 N GLN A 46 9.752 6.814 10.912 1.00 0.00 N ATOM 695 CA GLN A 46 11.135 7.203 11.126 1.00 0.00 C ATOM 696 C GLN A 46 11.616 6.724 12.497 1.00 0.00 C ATOM 697 O GLN A 46 12.817 6.592 12.727 1.00 0.00 O ATOM 698 CB GLN A 46 11.308 8.716 10.982 1.00 0.00 C ATOM 699 CG GLN A 46 11.477 9.112 9.514 1.00 0.00 C ATOM 700 CD GLN A 46 12.848 9.746 9.271 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.878 9.093 9.308 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.804 11.052 9.022 1.00 0.00 N ATOM 0 H GLN A 46 9.072 7.559 11.062 1.00 0.00 H new ATOM 0 HA GLN A 46 11.748 6.726 10.361 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.441 9.226 11.402 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.178 9.042 11.553 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.362 8.232 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.693 9.814 9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.907 11.538 9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.667 11.567 8.847 1.00 0.00 H new ATOM 711 N ARG A 47 10.653 6.476 13.373 1.00 0.00 N ATOM 712 CA ARG A 47 10.963 6.014 14.715 1.00 0.00 C ATOM 713 C ARG A 47 11.270 4.516 14.703 1.00 0.00 C ATOM 714 O ARG A 47 12.310 4.088 15.202 1.00 0.00 O ATOM 715 CB ARG A 47 9.799 6.282 15.672 1.00 0.00 C ATOM 716 CG ARG A 47 9.815 7.731 16.162 1.00 0.00 C ATOM 717 CD ARG A 47 9.054 7.872 17.482 1.00 0.00 C ATOM 718 NE ARG A 47 9.802 8.752 18.407 1.00 0.00 N ATOM 719 CZ ARG A 47 9.470 8.949 19.690 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.400 8.329 20.208 1.00 0.00 N ATOM 721 NH2 ARG A 47 10.207 9.765 20.456 1.00 0.00 N ATOM 0 H ARG A 47 9.658 6.586 13.179 1.00 0.00 H new ATOM 0 HA ARG A 47 11.838 6.564 15.062 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.855 6.075 15.169 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.861 5.605 16.524 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.845 8.062 16.295 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.366 8.378 15.409 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.062 8.285 17.297 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.912 6.891 17.936 1.00 0.00 H new ATOM 0 HE ARG A 47 10.622 9.239 18.045 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.839 7.708 19.625 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.147 8.479 21.185 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.021 10.237 20.062 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.954 9.915 21.433 1.00 0.00 H new ATOM 735 N ILE A 48 10.346 3.759 14.129 1.00 0.00 N ATOM 736 CA ILE A 48 10.505 2.317 14.046 1.00 0.00 C ATOM 737 C ILE A 48 11.925 1.991 13.577 1.00 0.00 C ATOM 738 O ILE A 48 12.668 2.883 13.172 1.00 0.00 O ATOM 739 CB ILE A 48 9.412 1.707 13.167 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.237 2.508 11.874 1.00 0.00 C ATOM 741 CG2 ILE A 48 8.098 1.573 13.939 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.446 1.709 10.837 1.00 0.00 C ATOM 0 H ILE A 48 9.485 4.117 13.717 1.00 0.00 H new ATOM 0 HA ILE A 48 10.381 1.863 15.029 1.00 0.00 H new ATOM 0 HB ILE A 48 9.724 0.702 12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.721 3.444 12.089 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.215 2.769 11.469 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.338 1.137 13.291 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.249 0.929 14.805 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.769 2.558 14.272 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.336 2.301 9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.977 0.786 10.607 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.460 1.470 11.236 1.00 0.00 H new ATOM 754 N SER A 49 12.258 0.711 13.649 1.00 0.00 N ATOM 755 CA SER A 49 13.575 0.256 13.236 1.00 0.00 C ATOM 756 C SER A 49 13.493 -0.401 11.857 1.00 0.00 C ATOM 757 O SER A 49 12.484 -0.276 11.165 1.00 0.00 O ATOM 758 CB SER A 49 14.164 -0.721 14.256 1.00 0.00 C ATOM 759 OG SER A 49 15.343 -0.207 14.868 1.00 0.00 O ATOM 0 H SER A 49 11.639 -0.026 13.987 1.00 0.00 H new ATOM 0 HA SER A 49 14.235 1.122 13.180 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.421 -0.935 15.024 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.394 -1.665 13.763 1.00 0.00 H new ATOM 0 HG SER A 49 15.687 -0.859 15.514 1.00 0.00 H new ATOM 765 N GLN A 50 14.569 -1.086 11.499 1.00 0.00 N ATOM 766 CA GLN A 50 14.632 -1.763 10.215 1.00 0.00 C ATOM 767 C GLN A 50 13.702 -2.978 10.208 1.00 0.00 C ATOM 768 O GLN A 50 12.884 -3.133 9.303 1.00 0.00 O ATOM 769 CB GLN A 50 16.068 -2.171 9.880 1.00 0.00 C ATOM 770 CG GLN A 50 16.152 -2.787 8.482 1.00 0.00 C ATOM 771 CD GLN A 50 15.647 -1.807 7.420 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.335 -1.866 7.210 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.399 -1.048 6.831 1.00 0.00 N flip ATOM 0 H GLN A 50 15.404 -1.187 12.076 1.00 0.00 H new ATOM 0 HA GLN A 50 14.297 -1.069 9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.720 -1.299 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.428 -2.887 10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.183 -3.065 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.561 -3.702 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.397 -1.054 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.030 -0.407 6.129 1.00 0.00 H new ATOM 782 N SER A 51 13.858 -3.808 11.229 1.00 0.00 N ATOM 783 CA SER A 51 13.042 -5.004 11.353 1.00 0.00 C ATOM 784 C SER A 51 11.609 -4.708 10.905 1.00 0.00 C ATOM 785 O SER A 51 11.071 -5.395 10.038 1.00 0.00 O ATOM 786 CB SER A 51 13.052 -5.531 12.789 1.00 0.00 C ATOM 787 OG SER A 51 12.251 -6.701 12.933 1.00 0.00 O ATOM 0 H SER A 51 14.538 -3.676 11.978 1.00 0.00 H new ATOM 0 HA SER A 51 13.465 -5.775 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.077 -5.754 13.086 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.686 -4.756 13.462 1.00 0.00 H new ATOM 0 HG SER A 51 12.284 -7.008 13.863 1.00 0.00 H new ATOM 793 N GLN A 52 11.031 -3.684 11.517 1.00 0.00 N ATOM 794 CA GLN A 52 9.671 -3.289 11.193 1.00 0.00 C ATOM 795 C GLN A 52 9.549 -2.985 9.698 1.00 0.00 C ATOM 796 O GLN A 52 8.928 -3.744 8.955 1.00 0.00 O ATOM 797 CB GLN A 52 9.233 -2.089 12.035 1.00 0.00 C ATOM 798 CG GLN A 52 7.927 -2.385 12.774 1.00 0.00 C ATOM 799 CD GLN A 52 7.093 -1.114 12.945 1.00 0.00 C ATOM 800 OE1 GLN A 52 7.191 -0.168 12.180 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.270 -1.143 13.989 1.00 0.00 N ATOM 0 H GLN A 52 11.480 -3.116 12.235 1.00 0.00 H new ATOM 0 HA GLN A 52 9.006 -4.119 11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.014 -1.841 12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.102 -1.218 11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.353 -3.129 12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.147 -2.814 13.752 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.237 -1.967 14.590 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.672 -0.342 14.189 1.00 0.00 H new ATOM 810 N LYS A 53 10.151 -1.873 9.302 1.00 0.00 N ATOM 811 CA LYS A 53 10.118 -1.459 7.910 1.00 0.00 C ATOM 812 C LYS A 53 10.268 -2.689 7.013 1.00 0.00 C ATOM 813 O LYS A 53 9.560 -2.824 6.016 1.00 0.00 O ATOM 814 CB LYS A 53 11.165 -0.375 7.648 1.00 0.00 C ATOM 815 CG LYS A 53 10.857 0.891 8.449 1.00 0.00 C ATOM 816 CD LYS A 53 12.074 1.817 8.502 1.00 0.00 C ATOM 817 CE LYS A 53 11.653 3.283 8.382 1.00 0.00 C ATOM 818 NZ LYS A 53 12.447 4.127 9.303 1.00 0.00 N ATOM 0 H LYS A 53 10.665 -1.246 9.921 1.00 0.00 H new ATOM 0 HA LYS A 53 9.157 -1.005 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.154 -0.747 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.191 -0.139 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.016 1.416 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.557 0.621 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.611 1.665 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.762 1.565 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.791 3.624 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.592 3.383 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.808 4.631 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.094 3.527 9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.998 4.817 8.754 1.00 0.00 H new ATOM 832 N GLU A 54 11.193 -3.555 7.399 1.00 0.00 N ATOM 833 CA GLU A 54 11.445 -4.769 6.642 1.00 0.00 C ATOM 834 C GLU A 54 10.158 -5.583 6.501 1.00 0.00 C ATOM 835 O GLU A 54 9.796 -5.994 5.400 1.00 0.00 O ATOM 836 CB GLU A 54 12.552 -5.601 7.293 1.00 0.00 C ATOM 837 CG GLU A 54 13.930 -5.171 6.789 1.00 0.00 C ATOM 838 CD GLU A 54 14.355 -6.002 5.577 1.00 0.00 C ATOM 839 OE1 GLU A 54 13.818 -5.725 4.483 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.208 -6.895 5.772 1.00 0.00 O ATOM 0 H GLU A 54 11.778 -3.440 8.227 1.00 0.00 H new ATOM 0 HA GLU A 54 11.785 -4.489 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.506 -5.489 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.394 -6.657 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.910 -4.115 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.664 -5.283 7.587 1.00 0.00 H new ATOM 847 N HIS A 55 9.500 -5.792 7.633 1.00 0.00 N ATOM 848 CA HIS A 55 8.260 -6.549 7.649 1.00 0.00 C ATOM 849 C HIS A 55 7.246 -5.894 6.710 1.00 0.00 C ATOM 850 O HIS A 55 6.824 -6.499 5.725 1.00 0.00 O ATOM 851 CB HIS A 55 7.734 -6.700 9.078 1.00 0.00 C ATOM 852 CG HIS A 55 6.539 -7.614 9.199 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.570 -8.943 8.814 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.280 -7.378 9.666 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.377 -9.473 9.043 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.579 -8.501 9.571 1.00 0.00 N ATOM 0 H HIS A 55 9.803 -5.450 8.545 1.00 0.00 H new ATOM 0 HA HIS A 55 8.442 -7.559 7.282 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.535 -7.081 9.711 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.466 -5.716 9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.915 -6.436 10.049 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.088 -10.495 8.846 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.604 -8.618 9.847 1.00 0.00 H new ATOM 864 N TYR A 56 6.883 -4.665 7.048 1.00 0.00 N ATOM 865 CA TYR A 56 5.926 -3.921 6.247 1.00 0.00 C ATOM 866 C TYR A 56 6.316 -3.940 4.767 1.00 0.00 C ATOM 867 O TYR A 56 5.542 -4.391 3.924 1.00 0.00 O ATOM 868 CB TYR A 56 5.980 -2.479 6.757 1.00 0.00 C ATOM 869 CG TYR A 56 5.150 -2.234 8.019 1.00 0.00 C ATOM 870 CD1 TYR A 56 3.805 -2.540 8.030 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.748 -1.706 9.146 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.024 -2.309 9.218 1.00 0.00 C ATOM 873 CE2 TYR A 56 4.967 -1.476 10.333 1.00 0.00 C ATOM 874 CZ TYR A 56 3.644 -1.788 10.311 1.00 0.00 C ATOM 875 OH TYR A 56 2.906 -1.570 11.433 1.00 0.00 O ATOM 0 H TYR A 56 7.234 -4.166 7.865 1.00 0.00 H new ATOM 0 HA TYR A 56 4.932 -4.359 6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.018 -2.215 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.630 -1.812 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.338 -2.953 7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.801 -1.466 9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.970 -2.544 9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.422 -1.065 11.222 1.00 0.00 H new ATOM 0 HH TYR A 56 3.271 -0.803 11.921 1.00 0.00 H new ATOM 885 N LYS A 57 7.515 -3.446 4.498 1.00 0.00 N ATOM 886 CA LYS A 57 8.017 -3.401 3.135 1.00 0.00 C ATOM 887 C LYS A 57 7.774 -4.754 2.462 1.00 0.00 C ATOM 888 O LYS A 57 7.358 -4.810 1.306 1.00 0.00 O ATOM 889 CB LYS A 57 9.481 -2.960 3.117 1.00 0.00 C ATOM 890 CG LYS A 57 10.034 -2.949 1.691 1.00 0.00 C ATOM 891 CD LYS A 57 11.254 -2.032 1.582 1.00 0.00 C ATOM 892 CE LYS A 57 12.518 -2.741 2.073 1.00 0.00 C ATOM 893 NZ LYS A 57 13.596 -1.759 2.330 1.00 0.00 N ATOM 0 H LYS A 57 8.154 -3.073 5.200 1.00 0.00 H new ATOM 0 HA LYS A 57 7.476 -2.653 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.570 -1.965 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.075 -3.633 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.309 -3.962 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.260 -2.614 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.387 -1.719 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.088 -1.129 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.299 -3.297 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.848 -3.466 1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.447 -2.256 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.815 -1.247 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.284 -1.083 3.056 1.00 0.00 H new ATOM 907 N LYS A 58 8.044 -5.810 3.215 1.00 0.00 N ATOM 908 CA LYS A 58 7.860 -7.158 2.705 1.00 0.00 C ATOM 909 C LYS A 58 6.380 -7.382 2.390 1.00 0.00 C ATOM 910 O LYS A 58 6.027 -7.720 1.261 1.00 0.00 O ATOM 911 CB LYS A 58 8.443 -8.183 3.681 1.00 0.00 C ATOM 912 CG LYS A 58 8.021 -9.604 3.300 1.00 0.00 C ATOM 913 CD LYS A 58 6.796 -10.046 4.103 1.00 0.00 C ATOM 914 CE LYS A 58 7.103 -10.072 5.601 1.00 0.00 C ATOM 915 NZ LYS A 58 6.992 -11.451 6.129 1.00 0.00 N ATOM 0 H LYS A 58 8.389 -5.760 4.174 1.00 0.00 H new ATOM 0 HA LYS A 58 8.408 -7.291 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.531 -8.111 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.107 -7.959 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.797 -9.647 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.846 -10.293 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.966 -9.367 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.480 -11.037 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.107 -9.688 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.412 -9.416 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.204 -11.451 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.026 -11.805 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.668 -12.067 5.635 1.00 0.00 H new ATOM 929 N LEU A 59 5.555 -7.186 3.407 1.00 0.00 N ATOM 930 CA LEU A 59 4.121 -7.362 3.252 1.00 0.00 C ATOM 931 C LEU A 59 3.667 -6.694 1.953 1.00 0.00 C ATOM 932 O LEU A 59 3.052 -7.336 1.102 1.00 0.00 O ATOM 933 CB LEU A 59 3.382 -6.858 4.493 1.00 0.00 C ATOM 934 CG LEU A 59 3.725 -7.560 5.809 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.157 -6.791 7.004 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.259 -9.017 5.791 1.00 0.00 C ATOM 0 H LEU A 59 5.852 -6.907 4.342 1.00 0.00 H new ATOM 0 HA LEU A 59 3.874 -8.420 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.588 -5.794 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.311 -6.958 4.319 1.00 0.00 H new ATOM 0 HG LEU A 59 4.809 -7.571 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.415 -7.311 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.579 -5.786 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.073 -6.728 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.515 -9.493 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.179 -9.052 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.750 -9.546 4.975 1.00 0.00 H new ATOM 948 N ALA A 60 3.986 -5.413 1.840 1.00 0.00 N ATOM 949 CA ALA A 60 3.619 -4.651 0.659 1.00 0.00 C ATOM 950 C ALA A 60 3.843 -5.511 -0.587 1.00 0.00 C ATOM 951 O ALA A 60 2.978 -5.584 -1.459 1.00 0.00 O ATOM 952 CB ALA A 60 4.421 -3.349 0.621 1.00 0.00 C ATOM 0 H ALA A 60 4.495 -4.883 2.548 1.00 0.00 H new ATOM 0 HA ALA A 60 2.563 -4.382 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.145 -2.778 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.204 -2.762 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.486 -3.579 0.588 1.00 0.00 H new ATOM 958 N GLU A 61 5.009 -6.139 -0.632 1.00 0.00 N ATOM 959 CA GLU A 61 5.357 -6.991 -1.756 1.00 0.00 C ATOM 960 C GLU A 61 4.337 -8.121 -1.903 1.00 0.00 C ATOM 961 O GLU A 61 3.913 -8.440 -3.013 1.00 0.00 O ATOM 962 CB GLU A 61 6.774 -7.548 -1.604 1.00 0.00 C ATOM 963 CG GLU A 61 7.723 -6.488 -1.041 1.00 0.00 C ATOM 964 CD GLU A 61 9.134 -6.659 -1.606 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.313 -6.323 -2.796 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.002 -7.122 -0.835 1.00 0.00 O ATOM 0 H GLU A 61 5.725 -6.075 0.092 1.00 0.00 H new ATOM 0 HA GLU A 61 5.334 -6.388 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.759 -8.415 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.139 -7.891 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.348 -5.494 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.752 -6.561 0.046 1.00 0.00 H new ATOM 973 N GLU A 62 3.971 -8.696 -0.767 1.00 0.00 N ATOM 974 CA GLU A 62 3.008 -9.784 -0.755 1.00 0.00 C ATOM 975 C GLU A 62 1.671 -9.316 -1.333 1.00 0.00 C ATOM 976 O GLU A 62 1.017 -10.052 -2.070 1.00 0.00 O ATOM 977 CB GLU A 62 2.829 -10.342 0.658 1.00 0.00 C ATOM 978 CG GLU A 62 1.685 -11.357 0.706 1.00 0.00 C ATOM 979 CD GLU A 62 2.208 -12.759 1.023 1.00 0.00 C ATOM 980 OE1 GLU A 62 2.572 -12.977 2.199 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.233 -13.582 0.082 1.00 0.00 O ATOM 0 H GLU A 62 4.324 -8.429 0.152 1.00 0.00 H new ATOM 0 HA GLU A 62 3.391 -10.589 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.754 -10.816 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.626 -9.526 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.959 -11.056 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.163 -11.368 -0.251 1.00 0.00 H new ATOM 988 N GLN A 63 1.304 -8.094 -0.976 1.00 0.00 N ATOM 989 CA GLN A 63 0.056 -7.518 -1.450 1.00 0.00 C ATOM 990 C GLN A 63 0.059 -7.430 -2.977 1.00 0.00 C ATOM 991 O GLN A 63 -0.847 -7.942 -3.634 1.00 0.00 O ATOM 992 CB GLN A 63 -0.187 -6.145 -0.822 1.00 0.00 C ATOM 993 CG GLN A 63 -1.315 -6.206 0.210 1.00 0.00 C ATOM 994 CD GLN A 63 -2.683 -6.248 -0.474 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.977 -7.116 -1.279 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.500 -5.263 -0.111 1.00 0.00 N ATOM 0 H GLN A 63 1.849 -7.486 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.762 -8.170 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.728 -5.792 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.440 -5.425 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.191 -7.089 0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.259 -5.338 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.191 -4.568 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.436 -5.203 -0.512 1.00 0.00 H new ATOM 1005 N GLN A 64 1.088 -6.778 -3.499 1.00 0.00 N ATOM 1006 CA GLN A 64 1.220 -6.616 -4.937 1.00 0.00 C ATOM 1007 C GLN A 64 1.363 -7.981 -5.613 1.00 0.00 C ATOM 1008 O GLN A 64 1.117 -8.112 -6.811 1.00 0.00 O ATOM 1009 CB GLN A 64 2.403 -5.708 -5.280 1.00 0.00 C ATOM 1010 CG GLN A 64 2.212 -4.311 -4.685 1.00 0.00 C ATOM 1011 CD GLN A 64 3.353 -3.379 -5.096 1.00 0.00 C ATOM 1012 OE1 GLN A 64 3.362 -2.803 -6.172 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.314 -3.264 -4.183 1.00 0.00 N ATOM 0 H GLN A 64 1.838 -6.356 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 64 0.316 -6.138 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.325 -6.147 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.508 -5.635 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.261 -3.897 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.166 -4.378 -3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.245 -3.774 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.120 -2.666 -4.364 1.00 0.00 H new ATOM 1022 N ARG A 65 1.759 -8.963 -4.816 1.00 0.00 N ATOM 1023 CA ARG A 65 1.937 -10.312 -5.323 1.00 0.00 C ATOM 1024 C ARG A 65 0.579 -10.984 -5.534 1.00 0.00 C ATOM 1025 O ARG A 65 0.364 -11.656 -6.542 1.00 0.00 O ATOM 1026 CB ARG A 65 2.772 -11.157 -4.359 1.00 0.00 C ATOM 1027 CG ARG A 65 2.352 -12.628 -4.414 1.00 0.00 C ATOM 1028 CD ARG A 65 3.356 -13.513 -3.673 1.00 0.00 C ATOM 1029 NE ARG A 65 2.950 -14.932 -3.773 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.229 -15.722 -4.819 1.00 0.00 C ATOM 1031 NH1 ARG A 65 3.917 -15.235 -5.861 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.821 -16.998 -4.824 1.00 0.00 N ATOM 0 H ARG A 65 1.961 -8.851 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 65 2.463 -10.241 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.828 -11.067 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.654 -10.779 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.363 -12.744 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.276 -12.950 -5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.352 -13.380 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.412 -13.215 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 65 2.425 -15.335 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.228 -14.264 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.130 -15.836 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.297 -17.369 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.034 -17.598 -5.621 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.304 -10.778 -4.568 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.636 -11.355 -4.635 1.00 0.00 C ATOM 1048 C GLN A 66 -2.490 -10.602 -5.657 1.00 0.00 C ATOM 1049 O GLN A 66 -3.190 -11.217 -6.459 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.303 -11.357 -3.258 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.635 -12.370 -2.326 1.00 0.00 C ATOM 1052 CD GLN A 66 -2.156 -12.227 -0.895 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -3.269 -11.789 -0.654 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -1.293 -12.619 0.037 1.00 0.00 N ATOM 0 H GLN A 66 -0.123 -10.219 -3.734 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.546 -12.392 -4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.244 -10.361 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.361 -11.597 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.825 -13.381 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.555 -12.224 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.377 -12.976 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.547 -12.563 1.023 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.403 -9.281 -5.594 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.159 -8.437 -6.504 1.00 0.00 C ATOM 1065 C TYR A 67 -2.914 -8.842 -7.959 1.00 0.00 C ATOM 1066 O TYR A 67 -3.728 -8.551 -8.833 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.641 -7.014 -6.288 1.00 0.00 C ATOM 1068 CG TYR A 67 -3.048 -6.031 -7.387 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.499 -6.140 -8.649 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.963 -5.034 -7.117 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.882 -5.214 -9.683 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.346 -4.109 -8.151 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.787 -4.244 -9.383 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.149 -3.370 -10.361 1.00 0.00 O ATOM 0 H TYR A 67 -1.821 -8.775 -4.927 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.228 -8.526 -6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.009 -6.646 -5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.553 -7.040 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.782 -6.920 -8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.392 -4.948 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.460 -5.288 -10.674 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.062 -3.325 -7.953 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.803 -2.733 -10.005 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.788 -9.508 -8.172 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.425 -9.955 -9.506 1.00 0.00 C ATOM 1086 C LYS A 68 -2.373 -11.076 -9.939 1.00 0.00 C ATOM 1087 O LYS A 68 -3.039 -10.968 -10.967 1.00 0.00 O ATOM 1088 CB LYS A 68 0.053 -10.346 -9.556 1.00 0.00 C ATOM 1089 CG LYS A 68 0.949 -9.106 -9.549 1.00 0.00 C ATOM 1090 CD LYS A 68 1.263 -8.648 -10.975 1.00 0.00 C ATOM 1091 CE LYS A 68 0.280 -7.568 -11.433 1.00 0.00 C ATOM 1092 NZ LYS A 68 1.010 -6.368 -11.899 1.00 0.00 N ATOM 0 H LYS A 68 -1.116 -9.749 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.541 -9.144 -10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.295 -10.978 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.247 -10.934 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.457 -8.300 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.877 -9.326 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.281 -8.261 -11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.215 -9.500 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.346 -7.955 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.385 -7.301 -10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.329 -5.645 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.589 -5.990 -11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.626 -6.624 -12.697 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.402 -12.127 -9.132 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.257 -13.267 -9.418 1.00 0.00 C ATOM 1108 C VAL A 69 -4.721 -12.829 -9.354 1.00 0.00 C ATOM 1109 O VAL A 69 -5.535 -13.249 -10.175 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.934 -14.416 -8.462 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.430 -14.501 -8.194 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.717 -14.278 -7.155 1.00 0.00 C ATOM 0 H VAL A 69 -1.847 -12.213 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.073 -13.640 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.242 -15.346 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.228 -15.326 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.902 -14.669 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.087 -13.568 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.469 -15.108 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.455 -13.337 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.786 -14.291 -7.368 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.013 -11.990 -8.371 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.365 -11.491 -8.189 1.00 0.00 C ATOM 1124 C HIS A 70 -6.918 -11.007 -9.531 1.00 0.00 C ATOM 1125 O HIS A 70 -8.033 -11.363 -9.911 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.404 -10.410 -7.107 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.132 -10.925 -5.714 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.575 -12.095 -5.290 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.444 -10.204 -4.574 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.547 -12.089 -3.963 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -6.086 -10.918 -3.517 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.336 -11.643 -7.692 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.010 -12.297 -7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.670 -9.642 -7.349 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.383 -9.931 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.901 -9.226 -4.550 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.161 -12.881 -3.339 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.194 -10.641 -2.541 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.114 -10.204 -10.212 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.509 -9.668 -11.503 1.00 0.00 C ATOM 1141 C LEU A 71 -6.943 -10.817 -12.416 1.00 0.00 C ATOM 1142 O LEU A 71 -7.933 -10.701 -13.138 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.390 -8.806 -12.090 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.827 -7.490 -12.738 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.714 -6.680 -11.790 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.617 -6.687 -13.218 1.00 0.00 C ATOM 0 H LEU A 71 -5.190 -9.912 -9.894 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.367 -9.005 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.679 -8.578 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.857 -9.396 -12.836 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.427 -7.725 -13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.011 -5.750 -12.275 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.603 -7.259 -11.540 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.161 -6.454 -10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.955 -5.757 -13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.971 -6.461 -12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.061 -7.270 -13.952 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.182 -11.900 -12.354 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.476 -13.068 -13.166 1.00 0.00 C ATOM 1160 C ASP A 72 -7.738 -13.750 -12.633 1.00 0.00 C ATOM 1161 O ASP A 72 -8.593 -14.176 -13.408 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.331 -14.081 -13.108 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.558 -14.258 -14.417 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.134 -14.877 -15.337 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.408 -13.770 -14.467 1.00 0.00 O ATOM 0 H ASP A 72 -5.362 -11.993 -11.754 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.613 -12.737 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.633 -13.773 -12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.736 -15.048 -12.809 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.814 -13.834 -11.313 1.00 0.00 N ATOM 1171 CA LEU A 73 -8.956 -14.457 -10.667 1.00 0.00 C ATOM 1172 C LEU A 73 -10.231 -13.708 -11.062 1.00 0.00 C ATOM 1173 O LEU A 73 -11.278 -14.321 -11.264 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.737 -14.542 -9.155 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.431 -15.198 -8.703 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.548 -15.723 -7.270 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.000 -16.294 -9.681 1.00 0.00 C ATOM 0 H LEU A 73 -7.103 -13.481 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.071 -15.486 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.774 -13.533 -8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.569 -15.095 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.649 -14.438 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.606 -16.184 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.775 -14.896 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.347 -16.463 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.069 -16.744 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.775 -17.059 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.849 -15.861 -10.670 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.101 -12.393 -11.159 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.229 -11.555 -11.526 1.00 0.00 C ATOM 1191 C TRP A 74 -11.552 -11.815 -12.998 1.00 0.00 C ATOM 1192 O TRP A 74 -12.704 -11.698 -13.415 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.937 -10.082 -11.229 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.827 -9.104 -11.999 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -13.032 -8.635 -11.650 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.529 -8.490 -13.271 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.532 -7.767 -12.600 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.588 -7.676 -13.617 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.402 -8.618 -14.101 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.626 -6.927 -14.799 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.454 -7.863 -15.279 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.514 -7.039 -15.642 1.00 0.00 C ATOM 0 H TRP A 74 -9.231 -11.888 -10.990 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.106 -11.805 -10.928 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.061 -9.906 -10.160 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.894 -9.874 -11.468 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.548 -8.902 -10.740 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.428 -7.282 -12.563 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.562 -9.249 -13.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.467 -6.297 -15.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.612 -7.925 -15.953 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.479 -6.488 -16.570 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.516 -12.163 -13.746 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.675 -12.440 -15.164 1.00 0.00 C ATOM 1215 C VAL A 75 -11.405 -13.773 -15.339 1.00 0.00 C ATOM 1216 O VAL A 75 -12.370 -13.862 -16.096 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.313 -12.409 -15.859 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.390 -13.053 -17.245 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.775 -10.979 -15.948 1.00 0.00 C ATOM 0 H VAL A 75 -9.562 -12.260 -13.397 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.284 -11.670 -15.638 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.616 -12.992 -15.257 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.408 -13.018 -17.718 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.709 -14.091 -17.147 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.108 -12.510 -17.859 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.806 -10.985 -16.446 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.471 -10.363 -16.517 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.664 -10.569 -14.944 1.00 0.00 H new ATOM 1229 N LYS A 76 -10.916 -14.778 -14.626 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.510 -16.102 -14.693 1.00 0.00 C ATOM 1231 C LYS A 76 -13.017 -15.993 -14.453 1.00 0.00 C ATOM 1232 O LYS A 76 -13.777 -16.876 -14.848 1.00 0.00 O ATOM 1233 CB LYS A 76 -10.801 -17.056 -13.730 1.00 0.00 C ATOM 1234 CG LYS A 76 -9.327 -17.220 -14.106 1.00 0.00 C ATOM 1235 CD LYS A 76 -8.531 -17.831 -12.951 1.00 0.00 C ATOM 1236 CE LYS A 76 -8.863 -19.315 -12.782 1.00 0.00 C ATOM 1237 NZ LYS A 76 -9.018 -19.651 -11.348 1.00 0.00 N ATOM 0 H LYS A 76 -10.115 -14.701 -13.999 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.376 -16.530 -15.686 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.880 -16.675 -12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.294 -18.028 -13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.241 -17.855 -14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.905 -16.250 -14.370 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.464 -17.712 -13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.755 -17.297 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.782 -19.552 -13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.072 -19.923 -13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.243 -20.662 -11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.132 -19.444 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.788 -19.084 -10.940 1.00 0.00 H new ATOM 1251 N SER A 77 -13.404 -14.903 -13.807 1.00 0.00 N ATOM 1252 CA SER A 77 -14.806 -14.667 -13.509 1.00 0.00 C ATOM 1253 C SER A 77 -15.462 -13.895 -14.655 1.00 0.00 C ATOM 1254 O SER A 77 -16.647 -14.075 -14.932 1.00 0.00 O ATOM 1255 CB SER A 77 -14.970 -13.904 -12.193 1.00 0.00 C ATOM 1256 OG SER A 77 -14.885 -14.767 -11.062 1.00 0.00 O ATOM 0 H SER A 77 -12.770 -14.173 -13.481 1.00 0.00 H new ATOM 0 HA SER A 77 -15.299 -15.633 -13.401 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.201 -13.135 -12.121 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.933 -13.393 -12.188 1.00 0.00 H new ATOM 0 HG SER A 77 -14.993 -14.242 -10.241 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.662 -13.051 -15.291 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.150 -12.250 -16.401 1.00 0.00 C ATOM 1264 C LEU A 78 -15.896 -13.152 -17.386 1.00 0.00 C ATOM 1265 O LEU A 78 -15.395 -14.208 -17.769 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.003 -11.462 -17.037 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.501 -10.252 -16.246 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.451 -9.474 -17.042 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.666 -9.361 -15.810 1.00 0.00 C ATOM 0 H LEU A 78 -13.680 -12.905 -15.059 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.862 -11.504 -16.049 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.165 -12.141 -17.194 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.325 -11.120 -18.021 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.015 -10.614 -15.340 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.111 -8.619 -16.457 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.604 -10.125 -17.260 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.889 -9.123 -17.976 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.282 -8.508 -15.250 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.201 -9.005 -16.690 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.346 -9.934 -15.179 1.00 0.00 H new ATOM 1281 N SER A 79 -17.083 -12.703 -17.768 1.00 0.00 N ATOM 1282 CA SER A 79 -17.904 -13.457 -18.700 1.00 0.00 C ATOM 1283 C SER A 79 -17.148 -13.661 -20.015 1.00 0.00 C ATOM 1284 O SER A 79 -16.023 -13.189 -20.168 1.00 0.00 O ATOM 1285 CB SER A 79 -19.236 -12.749 -18.958 1.00 0.00 C ATOM 1286 OG SER A 79 -19.418 -11.626 -18.100 1.00 0.00 O ATOM 0 H SER A 79 -17.496 -11.826 -17.449 1.00 0.00 H new ATOM 0 HA SER A 79 -18.120 -14.429 -18.257 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.278 -12.422 -19.997 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.055 -13.453 -18.812 1.00 0.00 H new ATOM 0 HG SER A 79 -19.250 -10.801 -18.601 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.815 -14.383 -20.955 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.219 -14.656 -22.252 1.00 0.00 C ATOM 1294 C PRO A 80 -17.246 -13.410 -23.140 1.00 0.00 C ATOM 1295 O PRO A 80 -16.558 -13.355 -24.158 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.027 -15.810 -22.822 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.329 -15.835 -22.037 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.149 -14.958 -20.808 1.00 0.00 C ATOM 0 HA PRO A 80 -16.164 -14.923 -22.183 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.215 -15.667 -23.886 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.490 -16.752 -22.717 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.152 -15.468 -22.651 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.579 -16.855 -21.745 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.912 -14.181 -20.761 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.230 -15.541 -19.890 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.048 -12.442 -22.723 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.174 -11.201 -23.468 1.00 0.00 C ATOM 1308 C GLN A 81 -17.200 -10.154 -22.924 1.00 0.00 C ATOM 1309 O GLN A 81 -16.567 -9.432 -23.692 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.614 -10.683 -23.431 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.586 -11.725 -23.987 1.00 0.00 C ATOM 1312 CD GLN A 81 -21.986 -11.537 -23.399 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.791 -10.758 -23.883 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.230 -12.292 -22.331 1.00 0.00 N ATOM 0 H GLN A 81 -18.617 -12.492 -21.878 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.920 -11.398 -24.510 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.889 -10.435 -22.406 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.689 -9.764 -24.012 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.630 -11.644 -25.073 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.222 -12.726 -23.757 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.511 -12.923 -21.978 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.136 -12.239 -21.866 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.111 -10.106 -21.603 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.225 -9.159 -20.947 1.00 0.00 C ATOM 1325 C ASP A 82 -14.772 -9.553 -21.221 1.00 0.00 C ATOM 1326 O ASP A 82 -14.001 -8.761 -21.759 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.438 -9.163 -19.432 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.717 -8.470 -18.957 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.758 -7.225 -19.055 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.626 -9.202 -18.508 1.00 0.00 O ATOM 0 H ASP A 82 -17.638 -10.707 -20.969 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.444 -8.166 -21.339 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.452 -10.196 -19.085 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.583 -8.679 -18.959 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.442 -10.778 -20.837 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.096 -11.287 -21.034 1.00 0.00 C ATOM 1337 C ARG A 83 -12.662 -11.091 -22.488 1.00 0.00 C ATOM 1338 O ARG A 83 -11.515 -10.737 -22.755 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.011 -12.773 -20.680 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.655 -13.112 -20.058 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.751 -14.361 -19.180 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.751 -15.362 -19.613 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.722 -16.631 -19.182 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -11.638 -17.060 -18.303 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -9.778 -17.469 -19.629 1.00 0.00 N ATOM 0 H ARG A 83 -15.084 -11.433 -20.390 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.431 -10.730 -20.374 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.809 -13.031 -19.984 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.164 -13.373 -21.577 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.919 -13.273 -20.846 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.304 -12.270 -19.461 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.584 -14.096 -18.136 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.753 -14.785 -19.244 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.039 -15.068 -20.281 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.357 -16.421 -17.962 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.617 -18.025 -17.975 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.081 -17.142 -20.298 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.756 -18.435 -19.301 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.603 -11.331 -23.390 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.332 -11.185 -24.810 1.00 0.00 C ATOM 1361 C ALA A 84 -12.796 -9.778 -25.082 1.00 0.00 C ATOM 1362 O ALA A 84 -12.035 -9.571 -26.026 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.603 -11.488 -25.606 1.00 0.00 C ATOM 0 H ALA A 84 -14.553 -11.625 -23.165 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.569 -11.895 -25.129 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.400 -11.379 -26.671 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.926 -12.509 -25.401 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.390 -10.793 -25.313 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.214 -8.847 -24.237 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.785 -7.465 -24.373 1.00 0.00 C ATOM 1371 C ALA A 85 -11.463 -7.270 -23.628 1.00 0.00 C ATOM 1372 O ALA A 85 -10.456 -6.900 -24.229 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.887 -6.536 -23.860 1.00 0.00 C ATOM 0 H ALA A 85 -13.845 -9.022 -23.455 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.612 -7.218 -25.420 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.566 -5.499 -23.962 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.795 -6.693 -24.442 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.086 -6.753 -22.810 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.510 -7.527 -22.329 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.329 -7.384 -21.495 1.00 0.00 C ATOM 1381 C TYR A 86 -9.086 -7.921 -22.207 1.00 0.00 C ATOM 1382 O TYR A 86 -8.050 -7.259 -22.239 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.590 -8.228 -20.245 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.332 -8.546 -19.435 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.481 -9.551 -19.850 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -9.048 -7.830 -18.291 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.296 -9.851 -19.087 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.864 -8.130 -17.528 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.046 -9.125 -17.964 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.928 -9.409 -17.244 1.00 0.00 O ATOM 0 H TYR A 86 -12.347 -7.833 -21.834 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.150 -6.335 -21.261 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.298 -7.702 -19.605 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.064 -9.163 -20.543 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.703 -10.112 -20.746 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.714 -7.044 -17.967 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.622 -10.634 -19.400 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.631 -7.577 -16.630 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.877 -8.811 -16.469 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.231 -9.116 -22.762 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.133 -9.749 -23.472 1.00 0.00 C ATOM 1402 C LYS A 87 -7.710 -8.861 -24.644 1.00 0.00 C ATOM 1403 O LYS A 87 -6.520 -8.715 -24.919 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.513 -11.173 -23.885 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.536 -12.193 -23.297 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.427 -12.530 -24.295 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.321 -13.351 -23.629 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.989 -12.810 -23.982 1.00 0.00 N ATOM 0 H LYS A 87 -10.092 -9.662 -22.734 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.266 -9.851 -22.820 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.525 -11.396 -23.546 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.516 -11.252 -24.972 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.098 -11.796 -22.382 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.073 -13.101 -23.025 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.844 -13.088 -25.133 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.007 -11.610 -24.702 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.451 -13.336 -22.547 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.393 -14.392 -23.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.257 -13.302 -23.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.813 -12.955 -24.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.959 -11.793 -23.767 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.707 -8.291 -25.304 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.453 -7.421 -26.440 1.00 0.00 C ATOM 1424 C GLU A 88 -7.375 -6.393 -26.091 1.00 0.00 C ATOM 1425 O GLU A 88 -6.535 -6.062 -26.925 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.739 -6.733 -26.902 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.774 -5.273 -26.444 1.00 0.00 C ATOM 1428 CD GLU A 88 -11.076 -4.595 -26.874 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -12.137 -5.226 -26.677 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.982 -3.460 -27.389 1.00 0.00 O ATOM 0 H GLU A 88 -9.693 -8.415 -25.074 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.090 -8.032 -27.267 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.810 -6.779 -27.989 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.603 -7.264 -26.503 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.676 -5.226 -25.359 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.924 -4.736 -26.864 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.435 -5.917 -24.856 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.475 -4.933 -24.386 1.00 0.00 C ATOM 1439 C TYR A 89 -5.155 -5.600 -23.992 1.00 0.00 C ATOM 1440 O TYR A 89 -4.088 -5.007 -24.138 1.00 0.00 O ATOM 1441 CB TYR A 89 -7.099 -4.293 -23.144 1.00 0.00 C ATOM 1442 CG TYR A 89 -6.079 -3.715 -22.162 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.620 -2.424 -22.325 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.618 -4.484 -21.113 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.660 -1.879 -21.400 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.657 -3.940 -20.189 1.00 0.00 C ATOM 1447 CZ TYR A 89 -4.226 -2.664 -20.378 1.00 0.00 C ATOM 1448 OH TYR A 89 -3.319 -2.150 -19.505 1.00 0.00 O ATOM 0 H TYR A 89 -8.134 -6.195 -24.167 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.259 -4.205 -25.168 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.776 -3.498 -23.459 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.702 -5.040 -22.628 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.981 -1.822 -23.146 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.978 -5.494 -20.985 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.293 -0.870 -21.515 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.287 -4.532 -19.365 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.101 -2.822 -18.826 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.272 -6.825 -23.499 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.101 -7.578 -23.083 1.00 0.00 C ATOM 1460 C ILE A 90 -3.151 -7.733 -24.271 1.00 0.00 C ATOM 1461 O ILE A 90 -2.044 -7.196 -24.260 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.517 -8.908 -22.451 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.405 -8.679 -21.226 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.294 -9.765 -22.120 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.563 -8.338 -19.995 1.00 0.00 C ATOM 0 H ILE A 90 -6.159 -7.314 -23.379 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.557 -7.039 -22.308 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.110 -9.461 -23.180 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.106 -7.869 -21.427 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.998 -9.573 -21.030 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.618 -10.704 -21.672 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.737 -9.972 -23.034 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.654 -9.230 -21.418 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.218 -8.180 -19.138 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.880 -9.160 -19.782 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.990 -7.430 -20.186 1.00 0.00 H new