USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 61 HIS : no HD1:sc= -0.0178 X(o=-0.026,f=0.013) USER MOD Set 1.2: A 64 GLN : amide:sc=-0.00807 K(o=-0.026,f=-1.8!) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= -1.11 USER MOD Set 2.2: A 49 GLN : amide:sc= 0 X(o=-1.1,f=-1.4) USER MOD Single : A 26 MET CE :methyl 167:sc= -0.0367 (180deg=-0.296) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 0.437 (180deg=-0.0952) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= 0.885 (180deg=0.11) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.446 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.018) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 46 SER OG : rot 180:sc= -0.126 USER MOD Single : A 48 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.2) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= 0.822 (180deg=0.529) USER MOD Single : A 55 SER OG : rot -8:sc= 0.53 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.927 (180deg=-2.37!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 130:sc= -0.135 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.079 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.15) USER MOD Single : A 83 HIS : no HE2:sc= -1.69! C(o=-1.7!,f=-2.2!) USER MOD Single : A 86 HIS : no HE2:sc= 0.0131 X(o=0.013,f=-0.22) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -11.580 12.936 6.249 1.00 0.00 N ATOM 38 CA ILE A 25 -10.451 12.014 6.397 1.00 0.00 C ATOM 39 C ILE A 25 -9.761 11.840 5.028 1.00 0.00 C ATOM 40 O ILE A 25 -10.403 12.010 3.976 1.00 0.00 O ATOM 41 CB ILE A 25 -10.942 10.638 6.993 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.751 9.873 7.634 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.677 9.762 5.940 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.132 8.665 8.453 1.00 0.00 C ATOM 0 HA ILE A 25 -9.723 12.422 7.098 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.673 10.860 7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.074 9.556 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.196 10.563 8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.994 8.827 6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.551 10.297 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.003 9.547 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.232 8.201 8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.782 8.971 9.273 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.658 7.949 7.822 1.00 0.00 H new ATOM 56 N MET A 26 -8.459 11.528 5.035 1.00 0.00 N ATOM 57 CA MET A 26 -7.645 11.544 3.813 1.00 0.00 C ATOM 58 C MET A 26 -7.880 10.251 3.021 1.00 0.00 C ATOM 59 O MET A 26 -7.532 9.148 3.473 1.00 0.00 O ATOM 60 CB MET A 26 -6.145 11.713 4.155 1.00 0.00 C ATOM 61 CG MET A 26 -5.256 11.940 2.938 1.00 0.00 C ATOM 62 SD MET A 26 -5.824 13.338 1.951 1.00 0.00 S ATOM 63 CE MET A 26 -5.654 14.696 3.098 1.00 0.00 C ATOM 0 H MET A 26 -7.946 11.261 5.875 1.00 0.00 H new ATOM 0 HA MET A 26 -7.944 12.394 3.200 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.031 12.555 4.838 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.801 10.824 4.684 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.231 12.117 3.264 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.244 11.040 2.323 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.746 15.640 2.561 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.435 14.632 3.856 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.677 14.646 3.579 1.00 0.00 H new ATOM 73 N LYS A 27 -8.507 10.411 1.853 1.00 0.00 N ATOM 74 CA LYS A 27 -8.912 9.308 0.990 1.00 0.00 C ATOM 75 C LYS A 27 -7.735 8.931 0.078 1.00 0.00 C ATOM 76 O LYS A 27 -7.549 9.530 -0.981 1.00 0.00 O ATOM 77 CB LYS A 27 -10.167 9.729 0.165 1.00 0.00 C ATOM 78 CG LYS A 27 -11.298 10.413 0.985 1.00 0.00 C ATOM 79 CD LYS A 27 -11.826 9.562 2.167 1.00 0.00 C ATOM 80 CE LYS A 27 -12.464 8.235 1.722 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.579 8.444 0.756 1.00 0.00 N ATOM 0 H LYS A 27 -8.750 11.328 1.478 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.180 8.434 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.851 10.409 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.577 8.844 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.928 11.363 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.128 10.642 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.003 9.351 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.562 10.142 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.703 7.603 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.838 7.702 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.405 7.886 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.833 9.452 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.278 8.140 -0.192 1.00 0.00 H new ATOM 95 N VAL A 28 -6.894 7.995 0.531 1.00 0.00 N ATOM 96 CA VAL A 28 -5.685 7.601 -0.207 1.00 0.00 C ATOM 97 C VAL A 28 -5.973 6.339 -1.026 1.00 0.00 C ATOM 98 O VAL A 28 -6.088 5.244 -0.462 1.00 0.00 O ATOM 99 CB VAL A 28 -4.482 7.335 0.767 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.156 7.161 -0.011 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.375 8.438 1.842 1.00 0.00 C ATOM 0 H VAL A 28 -7.028 7.493 1.409 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.409 8.420 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.677 6.397 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.343 6.978 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.243 6.315 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.947 8.067 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.533 8.224 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.222 9.403 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.294 8.466 2.427 1.00 0.00 H new ATOM 111 N THR A 29 -6.071 6.494 -2.353 1.00 0.00 N ATOM 112 CA THR A 29 -6.315 5.370 -3.258 1.00 0.00 C ATOM 113 C THR A 29 -4.981 4.695 -3.588 1.00 0.00 C ATOM 114 O THR A 29 -3.959 5.363 -3.711 1.00 0.00 O ATOM 115 CB THR A 29 -7.049 5.820 -4.562 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.177 6.630 -4.231 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.555 4.619 -5.367 1.00 0.00 C ATOM 0 H THR A 29 -5.984 7.395 -2.823 1.00 0.00 H new ATOM 0 HA THR A 29 -6.972 4.658 -2.759 1.00 0.00 H new ATOM 0 HB THR A 29 -6.329 6.378 -5.160 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.631 6.910 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.060 4.971 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.712 3.988 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.254 4.043 -4.761 1.00 0.00 H new ATOM 125 N VAL A 30 -4.994 3.364 -3.630 1.00 0.00 N ATOM 126 CA VAL A 30 -3.820 2.528 -3.907 1.00 0.00 C ATOM 127 C VAL A 30 -4.171 1.540 -5.028 1.00 0.00 C ATOM 128 O VAL A 30 -5.241 0.929 -5.010 1.00 0.00 O ATOM 129 CB VAL A 30 -3.371 1.759 -2.608 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.263 0.728 -2.887 1.00 0.00 C ATOM 131 CG2 VAL A 30 -2.917 2.745 -1.508 1.00 0.00 C ATOM 0 H VAL A 30 -5.842 2.820 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.988 3.157 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.245 1.212 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.990 0.226 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.624 -0.009 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.389 1.235 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.612 2.187 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.076 3.335 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.742 3.410 -1.252 1.00 0.00 H new ATOM 141 N LYS A 31 -3.255 1.386 -5.986 1.00 0.00 N ATOM 142 CA LYS A 31 -3.476 0.597 -7.204 1.00 0.00 C ATOM 143 C LYS A 31 -2.495 -0.592 -7.211 1.00 0.00 C ATOM 144 O LYS A 31 -1.289 -0.414 -7.052 1.00 0.00 O ATOM 145 CB LYS A 31 -3.284 1.498 -8.478 1.00 0.00 C ATOM 146 CG LYS A 31 -4.234 1.194 -9.672 1.00 0.00 C ATOM 147 CD LYS A 31 -4.039 -0.209 -10.270 1.00 0.00 C ATOM 148 CE LYS A 31 -5.105 -0.582 -11.313 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.957 -1.987 -11.768 1.00 0.00 N ATOM 0 H LYS A 31 -2.328 1.809 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.497 0.216 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.419 2.540 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.255 1.394 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.267 1.298 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.074 1.938 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.054 -0.265 -10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.056 -0.944 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.098 -0.440 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.027 0.088 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.897 -2.420 -11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.466 -2.005 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.404 -2.522 -11.069 1.00 0.00 H new ATOM 163 N THR A 32 -3.040 -1.800 -7.384 1.00 0.00 N ATOM 164 CA THR A 32 -2.270 -3.042 -7.520 1.00 0.00 C ATOM 165 C THR A 32 -2.403 -3.544 -8.969 1.00 0.00 C ATOM 166 O THR A 32 -3.378 -3.196 -9.647 1.00 0.00 O ATOM 167 CB THR A 32 -2.814 -4.124 -6.522 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.136 -4.538 -6.902 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.859 -3.586 -5.091 1.00 0.00 C ATOM 0 H THR A 32 -4.048 -1.946 -7.435 1.00 0.00 H new ATOM 0 HA THR A 32 -1.221 -2.857 -7.287 1.00 0.00 H new ATOM 0 HB THR A 32 -2.133 -4.974 -6.562 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.461 -5.214 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.240 -4.359 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.855 -3.299 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.514 -2.716 -5.050 1.00 0.00 H new ATOM 177 N PRO A 33 -1.467 -4.404 -9.477 1.00 0.00 N ATOM 178 CA PRO A 33 -1.602 -5.004 -10.833 1.00 0.00 C ATOM 179 C PRO A 33 -2.876 -5.893 -10.989 1.00 0.00 C ATOM 180 O PRO A 33 -3.208 -6.320 -12.099 1.00 0.00 O ATOM 181 CB PRO A 33 -0.287 -5.822 -10.985 1.00 0.00 C ATOM 182 CG PRO A 33 0.164 -6.075 -9.580 1.00 0.00 C ATOM 183 CD PRO A 33 -0.205 -4.834 -8.813 1.00 0.00 C ATOM 0 HA PRO A 33 -1.732 -4.250 -11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.460 -6.756 -11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.463 -5.266 -11.548 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.325 -6.955 -9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.238 -6.258 -9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.355 -5.042 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.570 -4.070 -8.881 1.00 0.00 H new ATOM 191 N LYS A 34 -3.569 -6.171 -9.860 1.00 0.00 N ATOM 192 CA LYS A 34 -4.816 -6.965 -9.827 1.00 0.00 C ATOM 193 C LYS A 34 -6.061 -6.059 -9.885 1.00 0.00 C ATOM 194 O LYS A 34 -7.001 -6.323 -10.646 1.00 0.00 O ATOM 195 CB LYS A 34 -4.874 -7.845 -8.536 1.00 0.00 C ATOM 196 CG LYS A 34 -3.879 -9.031 -8.500 1.00 0.00 C ATOM 197 CD LYS A 34 -2.408 -8.628 -8.231 1.00 0.00 C ATOM 198 CE LYS A 34 -1.420 -9.776 -8.519 1.00 0.00 C ATOM 199 NZ LYS A 34 -1.741 -11.010 -7.752 1.00 0.00 N ATOM 0 H LYS A 34 -3.274 -5.847 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.814 -7.610 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.685 -7.207 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.885 -8.237 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.197 -9.732 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.929 -9.560 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.151 -7.768 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.304 -8.316 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.431 -10.002 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.409 -9.451 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.993 -11.716 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.805 -10.782 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.650 -11.395 -8.078 1.00 0.00 H new ATOM 213 N GLU A 35 -6.050 -4.991 -9.080 1.00 0.00 N ATOM 214 CA GLU A 35 -7.251 -4.173 -8.793 1.00 0.00 C ATOM 215 C GLU A 35 -6.850 -2.798 -8.232 1.00 0.00 C ATOM 216 O GLU A 35 -5.693 -2.407 -8.317 1.00 0.00 O ATOM 217 CB GLU A 35 -8.142 -4.933 -7.773 1.00 0.00 C ATOM 218 CG GLU A 35 -7.441 -5.245 -6.429 1.00 0.00 C ATOM 219 CD GLU A 35 -8.332 -5.998 -5.441 1.00 0.00 C ATOM 220 OE1 GLU A 35 -8.340 -7.248 -5.459 1.00 0.00 O ATOM 221 OE2 GLU A 35 -9.036 -5.344 -4.638 1.00 0.00 O ATOM 0 H GLU A 35 -5.210 -4.662 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.806 -4.008 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.035 -4.340 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.473 -5.869 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.546 -5.836 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.114 -4.311 -5.973 1.00 0.00 H new ATOM 228 N LYS A 36 -7.826 -2.070 -7.669 1.00 0.00 N ATOM 229 CA LYS A 36 -7.601 -0.778 -6.996 1.00 0.00 C ATOM 230 C LYS A 36 -8.535 -0.677 -5.774 1.00 0.00 C ATOM 231 O LYS A 36 -9.668 -1.174 -5.812 1.00 0.00 O ATOM 232 CB LYS A 36 -7.856 0.393 -7.986 1.00 0.00 C ATOM 233 CG LYS A 36 -7.384 1.777 -7.498 1.00 0.00 C ATOM 234 CD LYS A 36 -7.702 2.903 -8.512 1.00 0.00 C ATOM 235 CE LYS A 36 -9.215 3.125 -8.696 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.504 4.186 -9.691 1.00 0.00 N ATOM 0 H LYS A 36 -8.803 -2.363 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.566 -0.713 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.356 0.167 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.924 0.444 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.862 2.005 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.309 1.748 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.241 3.831 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.255 2.656 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.682 2.193 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.661 3.395 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.533 4.303 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.081 5.082 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.101 3.918 -10.612 1.00 0.00 H new ATOM 250 N GLU A 37 -8.044 -0.046 -4.697 1.00 0.00 N ATOM 251 CA GLU A 37 -8.796 0.137 -3.441 1.00 0.00 C ATOM 252 C GLU A 37 -8.409 1.475 -2.796 1.00 0.00 C ATOM 253 O GLU A 37 -7.227 1.811 -2.734 1.00 0.00 O ATOM 254 CB GLU A 37 -8.498 -1.026 -2.455 1.00 0.00 C ATOM 255 CG GLU A 37 -9.209 -0.910 -1.086 1.00 0.00 C ATOM 256 CD GLU A 37 -10.744 -1.018 -1.154 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.426 0.019 -1.300 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.282 -2.140 -1.034 1.00 0.00 O ATOM 0 H GLU A 37 -7.107 0.356 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.862 0.138 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.791 -1.966 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.422 -1.076 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.831 -1.691 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.944 0.045 -0.633 1.00 0.00 H new ATOM 265 N GLU A 38 -9.412 2.210 -2.290 1.00 0.00 N ATOM 266 CA GLU A 38 -9.209 3.497 -1.618 1.00 0.00 C ATOM 267 C GLU A 38 -9.343 3.305 -0.102 1.00 0.00 C ATOM 268 O GLU A 38 -10.271 2.642 0.376 1.00 0.00 O ATOM 269 CB GLU A 38 -10.219 4.561 -2.114 1.00 0.00 C ATOM 270 CG GLU A 38 -9.996 5.966 -1.509 1.00 0.00 C ATOM 271 CD GLU A 38 -11.046 6.987 -1.951 1.00 0.00 C ATOM 272 OE1 GLU A 38 -12.164 6.967 -1.405 1.00 0.00 O ATOM 273 OE2 GLU A 38 -10.754 7.828 -2.822 1.00 0.00 O ATOM 0 H GLU A 38 -10.390 1.924 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.208 3.857 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.156 4.630 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.229 4.229 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.006 5.892 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.007 6.325 -1.795 1.00 0.00 H new ATOM 280 N PHE A 39 -8.406 3.905 0.636 1.00 0.00 N ATOM 281 CA PHE A 39 -8.310 3.818 2.098 1.00 0.00 C ATOM 282 C PHE A 39 -8.677 5.166 2.729 1.00 0.00 C ATOM 283 O PHE A 39 -8.695 6.197 2.049 1.00 0.00 O ATOM 284 CB PHE A 39 -6.882 3.397 2.509 1.00 0.00 C ATOM 285 CG PHE A 39 -6.482 2.045 1.938 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.756 0.882 2.634 1.00 0.00 C ATOM 287 CD2 PHE A 39 -5.872 1.942 0.685 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.431 -0.344 2.109 1.00 0.00 C ATOM 289 CE2 PHE A 39 -5.543 0.712 0.163 1.00 0.00 C ATOM 290 CZ PHE A 39 -5.828 -0.433 0.875 1.00 0.00 C ATOM 0 H PHE A 39 -7.672 4.481 0.223 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.011 3.065 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.173 4.153 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.817 3.361 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.231 0.939 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.657 2.837 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.649 -1.243 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.063 0.644 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.578 -1.400 0.465 1.00 0.00 H new ATOM 300 N ALA A 40 -8.970 5.136 4.033 1.00 0.00 N ATOM 301 CA ALA A 40 -9.332 6.322 4.809 1.00 0.00 C ATOM 302 C ALA A 40 -8.434 6.405 6.051 1.00 0.00 C ATOM 303 O ALA A 40 -8.610 5.634 7.002 1.00 0.00 O ATOM 304 CB ALA A 40 -10.816 6.257 5.182 1.00 0.00 C ATOM 0 H ALA A 40 -8.962 4.277 4.583 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.178 7.225 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.085 7.141 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.418 6.220 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.003 5.363 5.778 1.00 0.00 H new ATOM 310 N VAL A 41 -7.462 7.325 6.005 1.00 0.00 N ATOM 311 CA VAL A 41 -6.454 7.556 7.071 1.00 0.00 C ATOM 312 C VAL A 41 -6.435 9.060 7.382 1.00 0.00 C ATOM 313 O VAL A 41 -6.653 9.848 6.481 1.00 0.00 O ATOM 314 CB VAL A 41 -5.017 7.052 6.645 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.007 5.520 6.429 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.484 7.798 5.394 1.00 0.00 C ATOM 0 H VAL A 41 -7.344 7.951 5.208 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.728 6.985 7.958 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.339 7.283 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.007 5.200 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.292 5.020 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.715 5.259 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.495 7.419 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.163 7.635 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.420 8.865 5.607 1.00 0.00 H new ATOM 326 N PRO A 42 -6.208 9.500 8.654 1.00 0.00 N ATOM 327 CA PRO A 42 -6.377 10.931 9.058 1.00 0.00 C ATOM 328 C PRO A 42 -5.183 11.847 8.677 1.00 0.00 C ATOM 329 O PRO A 42 -4.860 12.779 9.412 1.00 0.00 O ATOM 330 CB PRO A 42 -6.532 10.792 10.590 1.00 0.00 C ATOM 331 CG PRO A 42 -5.641 9.643 10.945 1.00 0.00 C ATOM 332 CD PRO A 42 -5.793 8.651 9.810 1.00 0.00 C ATOM 0 HA PRO A 42 -7.211 11.417 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.231 11.704 11.105 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.567 10.595 10.870 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.605 9.966 11.048 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.933 9.199 11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.859 8.127 9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.541 7.892 10.039 1.00 0.00 H new ATOM 340 N GLU A 43 -4.551 11.552 7.504 1.00 0.00 N ATOM 341 CA GLU A 43 -3.331 12.219 6.947 1.00 0.00 C ATOM 342 C GLU A 43 -2.159 12.346 7.955 1.00 0.00 C ATOM 343 O GLU A 43 -1.178 13.043 7.688 1.00 0.00 O ATOM 344 CB GLU A 43 -3.662 13.596 6.259 1.00 0.00 C ATOM 345 CG GLU A 43 -4.051 14.764 7.193 1.00 0.00 C ATOM 346 CD GLU A 43 -4.430 16.038 6.426 1.00 0.00 C ATOM 347 OE1 GLU A 43 -3.516 16.746 5.950 1.00 0.00 O ATOM 348 OE2 GLU A 43 -5.636 16.321 6.273 1.00 0.00 O ATOM 0 H GLU A 43 -4.891 10.810 6.892 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.974 11.541 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.794 13.902 5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.479 13.437 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.890 14.459 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.218 14.982 7.861 1.00 0.00 H new ATOM 355 N ASN A 44 -2.249 11.620 9.084 1.00 0.00 N ATOM 356 CA ASN A 44 -1.204 11.562 10.113 1.00 0.00 C ATOM 357 C ASN A 44 -0.585 10.152 10.114 1.00 0.00 C ATOM 358 O ASN A 44 0.548 9.962 10.574 1.00 0.00 O ATOM 359 CB ASN A 44 -1.809 11.916 11.502 1.00 0.00 C ATOM 360 CG ASN A 44 -0.774 11.997 12.638 1.00 0.00 C ATOM 361 OD1 ASN A 44 0.376 12.373 12.431 1.00 0.00 O ATOM 362 ND2 ASN A 44 -1.180 11.639 13.850 1.00 0.00 N ATOM 0 H ASN A 44 -3.064 11.049 9.307 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.421 12.289 9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.326 12.873 11.428 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.558 11.168 11.761 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.531 11.673 14.636 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.141 11.330 13.995 1.00 0.00 H new ATOM 369 N SER A 45 -1.353 9.155 9.595 1.00 0.00 N ATOM 370 CA SER A 45 -0.854 7.797 9.377 1.00 0.00 C ATOM 371 C SER A 45 0.287 7.811 8.332 1.00 0.00 C ATOM 372 O SER A 45 0.056 8.107 7.149 1.00 0.00 O ATOM 373 CB SER A 45 -1.993 6.870 8.914 1.00 0.00 C ATOM 374 OG SER A 45 -3.057 6.863 9.847 1.00 0.00 O ATOM 0 H SER A 45 -2.327 9.284 9.322 1.00 0.00 H new ATOM 0 HA SER A 45 -0.463 7.415 10.320 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.360 7.198 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.612 5.857 8.785 1.00 0.00 H new ATOM 0 HG SER A 45 -3.768 6.268 9.528 1.00 0.00 H new ATOM 380 N SER A 46 1.516 7.555 8.816 1.00 0.00 N ATOM 381 CA SER A 46 2.705 7.363 7.971 1.00 0.00 C ATOM 382 C SER A 46 2.551 6.092 7.122 1.00 0.00 C ATOM 383 O SER A 46 1.646 5.294 7.373 1.00 0.00 O ATOM 384 CB SER A 46 3.969 7.270 8.866 1.00 0.00 C ATOM 385 OG SER A 46 3.866 6.205 9.803 1.00 0.00 O ATOM 0 H SER A 46 1.712 7.475 9.814 1.00 0.00 H new ATOM 0 HA SER A 46 2.810 8.214 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.849 7.122 8.240 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.110 8.211 9.397 1.00 0.00 H new ATOM 0 HG SER A 46 4.678 6.171 10.351 1.00 0.00 H new ATOM 391 N VAL A 47 3.454 5.889 6.139 1.00 0.00 N ATOM 392 CA VAL A 47 3.462 4.661 5.319 1.00 0.00 C ATOM 393 C VAL A 47 3.673 3.412 6.213 1.00 0.00 C ATOM 394 O VAL A 47 3.106 2.350 5.943 1.00 0.00 O ATOM 395 CB VAL A 47 4.547 4.743 4.194 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.633 3.425 3.398 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.273 5.948 3.255 1.00 0.00 C ATOM 0 H VAL A 47 4.184 6.558 5.895 1.00 0.00 H new ATOM 0 HA VAL A 47 2.491 4.569 4.832 1.00 0.00 H new ATOM 0 HB VAL A 47 5.514 4.898 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.396 3.516 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.895 2.609 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.669 3.217 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.039 5.987 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.293 5.833 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.295 6.872 3.833 1.00 0.00 H new ATOM 407 N GLN A 48 4.431 3.608 7.317 1.00 0.00 N ATOM 408 CA GLN A 48 4.662 2.591 8.369 1.00 0.00 C ATOM 409 C GLN A 48 3.331 2.085 8.978 1.00 0.00 C ATOM 410 O GLN A 48 3.199 0.905 9.305 1.00 0.00 O ATOM 411 CB GLN A 48 5.602 3.202 9.455 1.00 0.00 C ATOM 412 CG GLN A 48 5.981 2.291 10.662 1.00 0.00 C ATOM 413 CD GLN A 48 4.957 2.281 11.808 1.00 0.00 C ATOM 414 OE1 GLN A 48 4.262 3.262 12.038 1.00 0.00 O ATOM 415 NE2 GLN A 48 4.863 1.183 12.534 1.00 0.00 N ATOM 0 H GLN A 48 4.906 4.491 7.505 1.00 0.00 H new ATOM 0 HA GLN A 48 5.142 1.717 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.524 3.516 8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.126 4.101 9.846 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.112 1.271 10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.944 2.616 11.056 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.454 0.379 12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.200 1.138 13.307 1.00 0.00 H new ATOM 424 N GLN A 49 2.350 2.985 9.125 1.00 0.00 N ATOM 425 CA GLN A 49 1.010 2.645 9.663 1.00 0.00 C ATOM 426 C GLN A 49 -0.012 2.399 8.520 1.00 0.00 C ATOM 427 O GLN A 49 -1.087 1.826 8.735 1.00 0.00 O ATOM 428 CB GLN A 49 0.540 3.789 10.606 1.00 0.00 C ATOM 429 CG GLN A 49 -0.838 3.572 11.272 1.00 0.00 C ATOM 430 CD GLN A 49 -1.234 4.676 12.260 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.392 5.286 12.907 1.00 0.00 O ATOM 432 NE2 GLN A 49 -2.517 4.940 12.380 1.00 0.00 N ATOM 0 H GLN A 49 2.454 3.969 8.877 1.00 0.00 H new ATOM 0 HA GLN A 49 1.076 1.716 10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.287 3.922 11.389 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.507 4.717 10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.599 3.504 10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.831 2.616 11.795 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.199 4.418 11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.830 5.667 13.023 1.00 0.00 H new ATOM 441 N PHE A 50 0.352 2.801 7.293 1.00 0.00 N ATOM 442 CA PHE A 50 -0.566 2.778 6.139 1.00 0.00 C ATOM 443 C PHE A 50 -0.590 1.403 5.452 1.00 0.00 C ATOM 444 O PHE A 50 -1.660 0.938 5.060 1.00 0.00 O ATOM 445 CB PHE A 50 -0.215 3.894 5.129 1.00 0.00 C ATOM 446 CG PHE A 50 -1.181 3.989 3.948 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.547 4.163 4.164 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.734 3.893 2.636 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.428 4.233 3.109 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.615 3.966 1.582 1.00 0.00 C ATOM 451 CZ PHE A 50 -2.964 4.131 1.818 1.00 0.00 C ATOM 0 H PHE A 50 1.285 3.150 7.071 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.569 2.967 6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.200 4.851 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.792 3.722 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.920 4.244 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.320 3.759 2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.483 4.368 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.250 3.894 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.655 4.180 0.990 1.00 0.00 H new ATOM 461 N LYS A 51 0.580 0.738 5.321 1.00 0.00 N ATOM 462 CA LYS A 51 0.634 -0.622 4.724 1.00 0.00 C ATOM 463 C LYS A 51 -0.025 -1.654 5.669 1.00 0.00 C ATOM 464 O LYS A 51 -0.394 -2.746 5.248 1.00 0.00 O ATOM 465 CB LYS A 51 2.079 -1.029 4.272 1.00 0.00 C ATOM 466 CG LYS A 51 3.041 -1.657 5.318 1.00 0.00 C ATOM 467 CD LYS A 51 3.433 -0.714 6.474 1.00 0.00 C ATOM 468 CE LYS A 51 4.718 -1.158 7.213 1.00 0.00 C ATOM 469 NZ LYS A 51 4.624 -2.520 7.801 1.00 0.00 N ATOM 0 H LYS A 51 1.484 1.109 5.613 1.00 0.00 H new ATOM 0 HA LYS A 51 0.050 -0.607 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.980 -1.736 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.563 -0.138 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.572 -2.548 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.948 -1.984 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.577 0.292 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.611 -0.663 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.556 -1.129 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.937 -0.443 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.396 -2.657 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.710 -2.627 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.700 -3.230 7.045 1.00 0.00 H new ATOM 483 N GLU A 52 -0.184 -1.247 6.946 1.00 0.00 N ATOM 484 CA GLU A 52 -0.967 -1.971 7.964 1.00 0.00 C ATOM 485 C GLU A 52 -2.485 -1.932 7.631 1.00 0.00 C ATOM 486 O GLU A 52 -3.210 -2.915 7.834 1.00 0.00 O ATOM 487 CB GLU A 52 -0.721 -1.319 9.345 1.00 0.00 C ATOM 488 CG GLU A 52 0.752 -1.239 9.781 1.00 0.00 C ATOM 489 CD GLU A 52 1.361 -2.606 10.131 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.933 -3.214 11.131 1.00 0.00 O ATOM 491 OE2 GLU A 52 2.270 -3.070 9.424 1.00 0.00 O ATOM 0 H GLU A 52 0.237 -0.389 7.303 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.649 -3.013 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.134 -0.310 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.276 -1.880 10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.336 -0.784 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.832 -0.582 10.647 1.00 0.00 H new ATOM 498 N GLU A 53 -2.953 -0.758 7.150 1.00 0.00 N ATOM 499 CA GLU A 53 -4.345 -0.560 6.681 1.00 0.00 C ATOM 500 C GLU A 53 -4.590 -1.365 5.391 1.00 0.00 C ATOM 501 O GLU A 53 -5.692 -1.867 5.148 1.00 0.00 O ATOM 502 CB GLU A 53 -4.626 0.952 6.427 1.00 0.00 C ATOM 503 CG GLU A 53 -4.236 1.894 7.590 1.00 0.00 C ATOM 504 CD GLU A 53 -4.999 1.618 8.899 1.00 0.00 C ATOM 505 OE1 GLU A 53 -6.153 2.080 9.025 1.00 0.00 O ATOM 506 OE2 GLU A 53 -4.453 0.957 9.809 1.00 0.00 O ATOM 0 H GLU A 53 -2.376 0.080 7.076 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.024 -0.915 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.086 1.261 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.688 1.078 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.166 1.800 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.417 2.925 7.286 1.00 0.00 H new ATOM 513 N ILE A 54 -3.536 -1.468 4.575 1.00 0.00 N ATOM 514 CA ILE A 54 -3.558 -2.220 3.316 1.00 0.00 C ATOM 515 C ILE A 54 -3.637 -3.743 3.563 1.00 0.00 C ATOM 516 O ILE A 54 -4.410 -4.439 2.895 1.00 0.00 O ATOM 517 CB ILE A 54 -2.296 -1.873 2.450 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.287 -0.354 2.067 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.211 -2.759 1.193 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.076 0.087 1.271 1.00 0.00 C ATOM 0 H ILE A 54 -2.637 -1.028 4.771 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.455 -1.926 2.771 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.413 -2.079 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.185 -0.133 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.341 0.238 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.325 -2.490 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.148 -3.806 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.100 -2.608 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.154 1.152 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.172 -0.098 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.030 -0.475 0.338 1.00 0.00 H new ATOM 532 N SER A 55 -2.845 -4.237 4.535 1.00 0.00 N ATOM 533 CA SER A 55 -2.731 -5.678 4.819 1.00 0.00 C ATOM 534 C SER A 55 -4.079 -6.284 5.245 1.00 0.00 C ATOM 535 O SER A 55 -4.467 -7.345 4.743 1.00 0.00 O ATOM 536 CB SER A 55 -1.639 -5.941 5.881 1.00 0.00 C ATOM 537 OG SER A 55 -1.827 -5.162 7.050 1.00 0.00 O ATOM 0 H SER A 55 -2.270 -3.651 5.141 1.00 0.00 H new ATOM 0 HA SER A 55 -2.435 -6.174 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.641 -6.998 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.660 -5.722 5.454 1.00 0.00 H new ATOM 0 HG SER A 55 -2.549 -4.517 6.901 1.00 0.00 H new ATOM 543 N LYS A 56 -4.800 -5.583 6.143 1.00 0.00 N ATOM 544 CA LYS A 56 -6.115 -6.046 6.651 1.00 0.00 C ATOM 545 C LYS A 56 -7.176 -6.053 5.527 1.00 0.00 C ATOM 546 O LYS A 56 -8.105 -6.861 5.542 1.00 0.00 O ATOM 547 CB LYS A 56 -6.591 -5.159 7.835 1.00 0.00 C ATOM 548 CG LYS A 56 -6.894 -3.692 7.468 1.00 0.00 C ATOM 549 CD LYS A 56 -7.395 -2.831 8.658 1.00 0.00 C ATOM 550 CE LYS A 56 -6.278 -2.371 9.621 1.00 0.00 C ATOM 551 NZ LYS A 56 -5.599 -3.495 10.323 1.00 0.00 N ATOM 0 H LYS A 56 -4.496 -4.692 6.534 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.991 -7.068 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.489 -5.603 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.826 -5.173 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.992 -3.237 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.646 -3.674 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.906 -1.952 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.132 -3.403 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.536 -1.803 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.704 -1.695 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.296 -3.182 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.258 -4.294 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.768 -3.795 9.775 1.00 0.00 H new ATOM 565 N ARG A 57 -7.002 -5.152 4.549 1.00 0.00 N ATOM 566 CA ARG A 57 -7.942 -4.967 3.435 1.00 0.00 C ATOM 567 C ARG A 57 -7.814 -6.112 2.414 1.00 0.00 C ATOM 568 O ARG A 57 -8.791 -6.800 2.098 1.00 0.00 O ATOM 569 CB ARG A 57 -7.649 -3.617 2.747 1.00 0.00 C ATOM 570 CG ARG A 57 -8.632 -3.229 1.633 1.00 0.00 C ATOM 571 CD ARG A 57 -10.063 -2.995 2.140 1.00 0.00 C ATOM 572 NE ARG A 57 -10.137 -1.900 3.128 1.00 0.00 N ATOM 573 CZ ARG A 57 -10.897 -0.803 3.026 1.00 0.00 C ATOM 574 NH1 ARG A 57 -11.615 -0.572 1.941 1.00 0.00 N ATOM 575 NH2 ARG A 57 -10.909 0.071 4.015 1.00 0.00 N ATOM 0 H ARG A 57 -6.198 -4.526 4.509 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.959 -4.973 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.653 -2.832 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.643 -3.651 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.275 -2.324 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.645 -4.016 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.712 -2.763 1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.441 -3.913 2.590 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.557 -1.987 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.595 -1.234 1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.189 0.269 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.342 -0.093 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.485 0.910 3.947 1.00 0.00 H new ATOM 589 N PHE A 58 -6.576 -6.305 1.918 1.00 0.00 N ATOM 590 CA PHE A 58 -6.248 -7.348 0.925 1.00 0.00 C ATOM 591 C PHE A 58 -6.033 -8.720 1.591 1.00 0.00 C ATOM 592 O PHE A 58 -5.658 -9.673 0.905 1.00 0.00 O ATOM 593 CB PHE A 58 -4.998 -6.932 0.102 1.00 0.00 C ATOM 594 CG PHE A 58 -5.234 -5.722 -0.813 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.732 -5.889 -2.106 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.966 -4.425 -0.380 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.945 -4.800 -2.931 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.180 -3.338 -1.207 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.670 -3.524 -2.481 1.00 0.00 C ATOM 0 H PHE A 58 -5.773 -5.741 2.195 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.097 -7.446 0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.182 -6.704 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.676 -7.778 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.954 -6.882 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.585 -4.266 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.328 -4.948 -3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.963 -2.341 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.839 -2.674 -3.126 1.00 0.00 H new ATOM 609 N LYS A 59 -6.232 -8.798 2.933 1.00 0.00 N ATOM 610 CA LYS A 59 -6.149 -10.064 3.706 1.00 0.00 C ATOM 611 C LYS A 59 -4.762 -10.727 3.508 1.00 0.00 C ATOM 612 O LYS A 59 -4.620 -11.956 3.530 1.00 0.00 O ATOM 613 CB LYS A 59 -7.325 -11.009 3.289 1.00 0.00 C ATOM 614 CG LYS A 59 -8.767 -10.405 3.378 1.00 0.00 C ATOM 615 CD LYS A 59 -9.508 -10.695 4.706 1.00 0.00 C ATOM 616 CE LYS A 59 -8.858 -10.040 5.926 1.00 0.00 C ATOM 617 NZ LYS A 59 -9.616 -10.292 7.172 1.00 0.00 N ATOM 0 H LYS A 59 -6.454 -7.985 3.508 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.251 -9.855 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.154 -11.336 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.288 -11.899 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.703 -9.325 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.362 -10.796 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.537 -10.346 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.549 -11.773 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.842 -10.417 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.782 -8.965 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.136 -9.828 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.578 -9.909 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.667 -11.316 7.346 1.00 0.00 H new ATOM 631 N SER A 60 -3.751 -9.868 3.341 1.00 0.00 N ATOM 632 CA SER A 60 -2.371 -10.244 3.029 1.00 0.00 C ATOM 633 C SER A 60 -1.443 -9.738 4.137 1.00 0.00 C ATOM 634 O SER A 60 -1.873 -9.006 5.032 1.00 0.00 O ATOM 635 CB SER A 60 -1.977 -9.652 1.645 1.00 0.00 C ATOM 636 OG SER A 60 -0.635 -9.962 1.292 1.00 0.00 O ATOM 0 H SER A 60 -3.877 -8.859 3.422 1.00 0.00 H new ATOM 0 HA SER A 60 -2.277 -11.329 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.651 -10.039 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.105 -8.570 1.665 1.00 0.00 H new ATOM 0 HG SER A 60 -0.612 -10.332 0.385 1.00 0.00 H new ATOM 642 N HIS A 61 -0.175 -10.152 4.075 1.00 0.00 N ATOM 643 CA HIS A 61 0.858 -9.731 5.036 1.00 0.00 C ATOM 644 C HIS A 61 1.571 -8.494 4.483 1.00 0.00 C ATOM 645 O HIS A 61 1.767 -8.387 3.265 1.00 0.00 O ATOM 646 CB HIS A 61 1.869 -10.881 5.289 1.00 0.00 C ATOM 647 CG HIS A 61 1.256 -12.111 5.902 1.00 0.00 C ATOM 648 ND1 HIS A 61 1.382 -12.429 7.236 1.00 0.00 N ATOM 649 CD2 HIS A 61 0.508 -13.095 5.355 1.00 0.00 C ATOM 650 CE1 HIS A 61 0.736 -13.550 7.482 1.00 0.00 C ATOM 651 NE2 HIS A 61 0.200 -13.974 6.354 1.00 0.00 N ATOM 0 H HIS A 61 0.169 -10.790 3.357 1.00 0.00 H new ATOM 0 HA HIS A 61 0.392 -9.485 5.990 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.337 -11.154 4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.661 -10.517 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.209 -13.172 4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.658 -14.038 8.442 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.356 -14.822 6.245 1.00 0.00 H new ATOM 660 N THR A 62 1.960 -7.573 5.382 1.00 0.00 N ATOM 661 CA THR A 62 2.714 -6.354 5.025 1.00 0.00 C ATOM 662 C THR A 62 4.092 -6.699 4.440 1.00 0.00 C ATOM 663 O THR A 62 4.632 -5.949 3.628 1.00 0.00 O ATOM 664 CB THR A 62 2.900 -5.433 6.260 1.00 0.00 C ATOM 665 OG1 THR A 62 3.529 -6.169 7.316 1.00 0.00 O ATOM 666 CG2 THR A 62 1.572 -4.865 6.756 1.00 0.00 C ATOM 0 H THR A 62 1.761 -7.651 6.379 1.00 0.00 H new ATOM 0 HA THR A 62 2.131 -5.829 4.269 1.00 0.00 H new ATOM 0 HB THR A 62 3.527 -4.595 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.648 -5.586 8.095 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.750 -4.226 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.108 -4.280 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.909 -5.683 7.039 1.00 0.00 H new ATOM 674 N ASP A 63 4.636 -7.846 4.880 1.00 0.00 N ATOM 675 CA ASP A 63 5.879 -8.427 4.346 1.00 0.00 C ATOM 676 C ASP A 63 5.772 -8.645 2.820 1.00 0.00 C ATOM 677 O ASP A 63 6.731 -8.410 2.086 1.00 0.00 O ATOM 678 CB ASP A 63 6.162 -9.778 5.058 1.00 0.00 C ATOM 679 CG ASP A 63 7.480 -10.443 4.619 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.536 -10.113 5.181 1.00 0.00 O ATOM 681 OD2 ASP A 63 7.468 -11.281 3.694 1.00 0.00 O ATOM 0 H ASP A 63 4.219 -8.403 5.626 1.00 0.00 H new ATOM 0 HA ASP A 63 6.700 -7.735 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.190 -9.613 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.337 -10.462 4.862 1.00 0.00 H new ATOM 686 N GLN A 64 4.570 -9.060 2.369 1.00 0.00 N ATOM 687 CA GLN A 64 4.306 -9.411 0.961 1.00 0.00 C ATOM 688 C GLN A 64 4.033 -8.171 0.095 1.00 0.00 C ATOM 689 O GLN A 64 4.287 -8.196 -1.107 1.00 0.00 O ATOM 690 CB GLN A 64 3.106 -10.392 0.864 1.00 0.00 C ATOM 691 CG GLN A 64 3.291 -11.687 1.669 1.00 0.00 C ATOM 692 CD GLN A 64 2.134 -12.670 1.498 1.00 0.00 C ATOM 693 OE1 GLN A 64 1.148 -12.621 2.238 1.00 0.00 O ATOM 694 NE2 GLN A 64 2.232 -13.551 0.509 1.00 0.00 N ATOM 0 H GLN A 64 3.755 -9.161 2.973 1.00 0.00 H new ATOM 0 HA GLN A 64 5.205 -9.893 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.206 -9.885 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.942 -10.647 -0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.218 -12.170 1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.396 -11.439 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.062 -13.563 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.477 -14.216 0.342 1.00 0.00 H new ATOM 703 N LEU A 65 3.508 -7.088 0.697 1.00 0.00 N ATOM 704 CA LEU A 65 3.050 -5.898 -0.063 1.00 0.00 C ATOM 705 C LEU A 65 3.920 -4.655 0.247 1.00 0.00 C ATOM 706 O LEU A 65 4.192 -4.357 1.406 1.00 0.00 O ATOM 707 CB LEU A 65 1.516 -5.681 0.170 1.00 0.00 C ATOM 708 CG LEU A 65 0.990 -5.604 1.651 1.00 0.00 C ATOM 709 CD1 LEU A 65 1.113 -4.187 2.261 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.461 -6.131 1.752 1.00 0.00 C ATOM 0 H LEU A 65 3.388 -7.007 1.707 1.00 0.00 H new ATOM 0 HA LEU A 65 3.185 -6.071 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.231 -4.757 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.986 -6.492 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 65 1.635 -6.252 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.735 -4.197 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.159 -3.882 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.532 -3.483 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.800 -6.067 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.112 -5.528 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.495 -7.170 1.423 1.00 0.00 H new ATOM 722 N VAL A 66 4.385 -3.963 -0.821 1.00 0.00 N ATOM 723 CA VAL A 66 5.272 -2.774 -0.730 1.00 0.00 C ATOM 724 C VAL A 66 4.721 -1.637 -1.617 1.00 0.00 C ATOM 725 O VAL A 66 4.260 -1.881 -2.744 1.00 0.00 O ATOM 726 CB VAL A 66 6.769 -3.113 -1.137 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.421 -4.110 -0.142 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.866 -3.649 -2.589 1.00 0.00 C ATOM 0 H VAL A 66 4.153 -4.216 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 66 5.285 -2.451 0.311 1.00 0.00 H new ATOM 0 HB VAL A 66 7.325 -2.177 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.445 -4.318 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.427 -3.675 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.850 -5.038 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.907 -3.868 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.273 -4.559 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.486 -2.897 -3.281 1.00 0.00 H new ATOM 738 N LEU A 67 4.742 -0.408 -1.085 1.00 0.00 N ATOM 739 CA LEU A 67 4.262 0.792 -1.786 1.00 0.00 C ATOM 740 C LEU A 67 5.395 1.440 -2.577 1.00 0.00 C ATOM 741 O LEU A 67 6.542 1.463 -2.124 1.00 0.00 O ATOM 742 CB LEU A 67 3.679 1.810 -0.773 1.00 0.00 C ATOM 743 CG LEU A 67 2.297 1.438 -0.161 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.929 2.387 0.991 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.190 1.430 -1.245 1.00 0.00 C ATOM 0 H LEU A 67 5.096 -0.216 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 67 3.477 0.491 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.394 1.935 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.588 2.776 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 67 2.375 0.430 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.959 2.104 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.686 2.321 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.881 3.410 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.236 1.167 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.116 2.419 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.439 0.698 -2.014 1.00 0.00 H new ATOM 757 N ILE A 68 5.055 1.930 -3.779 1.00 0.00 N ATOM 758 CA ILE A 68 5.955 2.706 -4.642 1.00 0.00 C ATOM 759 C ILE A 68 5.201 3.962 -5.114 1.00 0.00 C ATOM 760 O ILE A 68 4.021 3.887 -5.488 1.00 0.00 O ATOM 761 CB ILE A 68 6.483 1.909 -5.916 1.00 0.00 C ATOM 762 CG1 ILE A 68 7.198 0.562 -5.529 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.432 2.792 -6.784 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.270 -0.628 -5.291 1.00 0.00 C ATOM 0 H ILE A 68 4.129 1.795 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 68 6.837 2.949 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 68 5.602 1.656 -6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.899 0.302 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.786 0.729 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.775 2.219 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.894 3.676 -7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.291 3.099 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.862 -1.505 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.585 -0.398 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.700 -0.832 -6.197 1.00 0.00 H new ATOM 776 N PHE A 69 5.898 5.096 -5.077 1.00 0.00 N ATOM 777 CA PHE A 69 5.419 6.380 -5.608 1.00 0.00 C ATOM 778 C PHE A 69 6.642 7.250 -5.914 1.00 0.00 C ATOM 779 O PHE A 69 7.624 7.208 -5.163 1.00 0.00 O ATOM 780 CB PHE A 69 4.463 7.095 -4.615 1.00 0.00 C ATOM 781 CG PHE A 69 3.777 8.359 -5.180 1.00 0.00 C ATOM 782 CD1 PHE A 69 4.361 9.624 -5.044 1.00 0.00 C ATOM 783 CD2 PHE A 69 2.541 8.278 -5.827 1.00 0.00 C ATOM 784 CE1 PHE A 69 3.742 10.752 -5.546 1.00 0.00 C ATOM 785 CE2 PHE A 69 1.921 9.413 -6.327 1.00 0.00 C ATOM 786 CZ PHE A 69 2.519 10.650 -6.182 1.00 0.00 C ATOM 0 H PHE A 69 6.831 5.154 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 69 4.842 6.205 -6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.694 6.390 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.026 7.371 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.311 9.719 -4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.061 7.317 -5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.215 11.717 -5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.969 9.330 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.032 11.535 -6.565 1.00 0.00 H new ATOM 796 N ALA A 70 6.562 8.021 -7.025 1.00 0.00 N ATOM 797 CA ALA A 70 7.661 8.888 -7.520 1.00 0.00 C ATOM 798 C ALA A 70 8.866 8.050 -8.011 1.00 0.00 C ATOM 799 O ALA A 70 9.977 8.569 -8.156 1.00 0.00 O ATOM 800 CB ALA A 70 8.092 9.917 -6.448 1.00 0.00 C ATOM 0 H ALA A 70 5.726 8.060 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 70 7.278 9.444 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.898 10.536 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.243 10.549 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.439 9.392 -5.558 1.00 0.00 H new ATOM 806 N GLY A 71 8.616 6.756 -8.289 1.00 0.00 N ATOM 807 CA GLY A 71 9.659 5.816 -8.701 1.00 0.00 C ATOM 808 C GLY A 71 10.497 5.286 -7.539 1.00 0.00 C ATOM 809 O GLY A 71 11.467 4.551 -7.761 1.00 0.00 O ATOM 0 H GLY A 71 7.686 6.341 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.196 4.975 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.317 6.307 -9.418 1.00 0.00 H new ATOM 813 N LYS A 72 10.138 5.652 -6.291 1.00 0.00 N ATOM 814 CA LYS A 72 10.850 5.193 -5.081 1.00 0.00 C ATOM 815 C LYS A 72 9.896 4.386 -4.190 1.00 0.00 C ATOM 816 O LYS A 72 8.693 4.666 -4.141 1.00 0.00 O ATOM 817 CB LYS A 72 11.529 6.386 -4.322 1.00 0.00 C ATOM 818 CG LYS A 72 10.604 7.518 -3.775 1.00 0.00 C ATOM 819 CD LYS A 72 9.972 7.200 -2.387 1.00 0.00 C ATOM 820 CE LYS A 72 11.010 6.892 -1.293 1.00 0.00 C ATOM 821 NZ LYS A 72 11.855 8.057 -0.968 1.00 0.00 N ATOM 0 H LYS A 72 9.351 6.270 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 72 11.664 4.531 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.088 5.974 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.255 6.842 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.181 8.440 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.805 7.701 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.364 8.048 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.301 6.347 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.495 6.559 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.644 6.068 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.856 7.777 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.690 8.811 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.615 8.406 -0.018 1.00 0.00 H new ATOM 835 N ILE A 73 10.446 3.385 -3.497 1.00 0.00 N ATOM 836 CA ILE A 73 9.690 2.555 -2.539 1.00 0.00 C ATOM 837 C ILE A 73 9.450 3.348 -1.228 1.00 0.00 C ATOM 838 O ILE A 73 10.389 3.882 -0.625 1.00 0.00 O ATOM 839 CB ILE A 73 10.386 1.154 -2.256 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.717 1.247 -1.418 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.641 0.417 -3.587 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.898 1.948 -2.075 1.00 0.00 C ATOM 0 H ILE A 73 11.428 3.123 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 73 8.727 2.322 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 73 9.689 0.590 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.494 1.762 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.026 0.234 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.118 -0.542 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.693 0.251 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.293 1.021 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.749 1.943 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.166 1.426 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.626 2.977 -2.309 1.00 0.00 H new ATOM 854 N LEU A 74 8.175 3.473 -0.839 1.00 0.00 N ATOM 855 CA LEU A 74 7.765 4.227 0.350 1.00 0.00 C ATOM 856 C LEU A 74 8.132 3.433 1.622 1.00 0.00 C ATOM 857 O LEU A 74 7.505 2.413 1.930 1.00 0.00 O ATOM 858 CB LEU A 74 6.241 4.531 0.310 1.00 0.00 C ATOM 859 CG LEU A 74 5.685 5.232 -0.973 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.188 5.597 -0.802 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.523 6.474 -1.363 1.00 0.00 C ATOM 0 H LEU A 74 7.395 3.051 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 74 8.295 5.180 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.705 3.591 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.999 5.157 1.169 1.00 0.00 H new ATOM 0 HG LEU A 74 5.768 4.519 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.826 6.083 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.611 4.690 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.073 6.275 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.102 6.930 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.506 7.196 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.552 6.172 -1.559 1.00 0.00 H new ATOM 873 N LYS A 75 9.176 3.894 2.321 1.00 0.00 N ATOM 874 CA LYS A 75 9.680 3.257 3.551 1.00 0.00 C ATOM 875 C LYS A 75 8.893 3.736 4.791 1.00 0.00 C ATOM 876 O LYS A 75 7.911 4.485 4.680 1.00 0.00 O ATOM 877 CB LYS A 75 11.197 3.580 3.717 1.00 0.00 C ATOM 878 CG LYS A 75 12.085 3.216 2.503 1.00 0.00 C ATOM 879 CD LYS A 75 12.108 1.704 2.190 1.00 0.00 C ATOM 880 CE LYS A 75 12.750 0.860 3.304 1.00 0.00 C ATOM 881 NZ LYS A 75 12.749 -0.585 2.964 1.00 0.00 N ATOM 0 H LYS A 75 9.701 4.725 2.050 1.00 0.00 H new ATOM 0 HA LYS A 75 9.542 2.179 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.305 4.646 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.571 3.050 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.727 3.755 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.103 3.556 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.087 1.359 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.654 1.541 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.774 1.195 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.208 1.015 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.189 -1.124 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.770 -0.909 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.287 -0.736 2.087 1.00 0.00 H new ATOM 895 N ASP A 76 9.346 3.279 5.970 1.00 0.00 N ATOM 896 CA ASP A 76 8.805 3.707 7.279 1.00 0.00 C ATOM 897 C ASP A 76 9.205 5.165 7.578 1.00 0.00 C ATOM 898 O ASP A 76 8.514 5.867 8.318 1.00 0.00 O ATOM 899 CB ASP A 76 9.315 2.771 8.412 1.00 0.00 C ATOM 900 CG ASP A 76 10.840 2.866 8.641 1.00 0.00 C ATOM 901 OD1 ASP A 76 11.606 2.399 7.775 1.00 0.00 O ATOM 902 OD2 ASP A 76 11.275 3.420 9.677 1.00 0.00 O ATOM 0 H ASP A 76 10.102 2.598 6.047 1.00 0.00 H new ATOM 0 HA ASP A 76 7.718 3.644 7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.799 3.019 9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.054 1.741 8.168 1.00 0.00 H new ATOM 907 N GLN A 77 10.344 5.593 6.981 1.00 0.00 N ATOM 908 CA GLN A 77 10.838 6.982 7.051 1.00 0.00 C ATOM 909 C GLN A 77 10.043 7.908 6.103 1.00 0.00 C ATOM 910 O GLN A 77 10.232 9.128 6.122 1.00 0.00 O ATOM 911 CB GLN A 77 12.346 7.050 6.681 1.00 0.00 C ATOM 912 CG GLN A 77 12.671 6.630 5.230 1.00 0.00 C ATOM 913 CD GLN A 77 14.103 6.960 4.810 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.374 8.040 4.287 1.00 0.00 O ATOM 915 NE2 GLN A 77 15.033 6.046 5.037 1.00 0.00 N ATOM 0 H GLN A 77 10.946 4.977 6.435 1.00 0.00 H new ATOM 0 HA GLN A 77 10.700 7.322 8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.700 8.069 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.904 6.410 7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.507 5.558 5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.977 7.127 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.781 5.159 5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.002 6.229 4.777 1.00 0.00 H new ATOM 924 N ASP A 78 9.182 7.315 5.260 1.00 0.00 N ATOM 925 CA ASP A 78 8.351 8.043 4.291 1.00 0.00 C ATOM 926 C ASP A 78 6.907 8.176 4.804 1.00 0.00 C ATOM 927 O ASP A 78 6.388 7.286 5.489 1.00 0.00 O ATOM 928 CB ASP A 78 8.377 7.325 2.909 1.00 0.00 C ATOM 929 CG ASP A 78 9.736 7.465 2.194 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.940 8.459 1.461 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.619 6.603 2.372 1.00 0.00 O ATOM 0 H ASP A 78 9.043 6.305 5.233 1.00 0.00 H new ATOM 0 HA ASP A 78 8.762 9.045 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.151 6.268 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.593 7.737 2.275 1.00 0.00 H new ATOM 936 N THR A 79 6.286 9.328 4.500 1.00 0.00 N ATOM 937 CA THR A 79 4.847 9.571 4.700 1.00 0.00 C ATOM 938 C THR A 79 4.225 9.901 3.345 1.00 0.00 C ATOM 939 O THR A 79 4.843 10.599 2.534 1.00 0.00 O ATOM 940 CB THR A 79 4.580 10.753 5.692 1.00 0.00 C ATOM 941 OG1 THR A 79 5.331 11.900 5.284 1.00 0.00 O ATOM 942 CG2 THR A 79 4.940 10.401 7.141 1.00 0.00 C ATOM 0 H THR A 79 6.777 10.129 4.102 1.00 0.00 H new ATOM 0 HA THR A 79 4.403 8.675 5.133 1.00 0.00 H new ATOM 0 HB THR A 79 3.511 10.963 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.162 12.639 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.735 11.256 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.343 9.549 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.998 10.147 7.202 1.00 0.00 H new ATOM 950 N LEU A 80 2.998 9.411 3.112 1.00 0.00 N ATOM 951 CA LEU A 80 2.293 9.589 1.830 1.00 0.00 C ATOM 952 C LEU A 80 2.058 11.082 1.512 1.00 0.00 C ATOM 953 O LEU A 80 2.344 11.540 0.400 1.00 0.00 O ATOM 954 CB LEU A 80 0.977 8.738 1.812 1.00 0.00 C ATOM 955 CG LEU A 80 0.006 8.836 3.061 1.00 0.00 C ATOM 956 CD1 LEU A 80 -0.990 10.017 2.967 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.744 7.503 3.292 1.00 0.00 C ATOM 0 H LEU A 80 2.467 8.882 3.803 1.00 0.00 H new ATOM 0 HA LEU A 80 2.926 9.215 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.409 9.021 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.258 7.692 1.690 1.00 0.00 H new ATOM 0 HG LEU A 80 0.642 9.034 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.626 10.028 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.438 10.955 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.609 9.901 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.402 7.601 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.336 7.261 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.023 6.706 3.474 1.00 0.00 H new ATOM 969 N SER A 81 1.625 11.838 2.537 1.00 0.00 N ATOM 970 CA SER A 81 1.270 13.266 2.417 1.00 0.00 C ATOM 971 C SER A 81 2.491 14.143 2.035 1.00 0.00 C ATOM 972 O SER A 81 2.332 15.169 1.358 1.00 0.00 O ATOM 973 CB SER A 81 0.631 13.743 3.744 1.00 0.00 C ATOM 974 OG SER A 81 0.167 15.075 3.667 1.00 0.00 O ATOM 0 H SER A 81 1.510 11.472 3.482 1.00 0.00 H new ATOM 0 HA SER A 81 0.550 13.376 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.199 13.086 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.363 13.662 4.547 1.00 0.00 H new ATOM 0 HG SER A 81 -0.230 15.333 4.525 1.00 0.00 H new ATOM 980 N GLN A 82 3.709 13.713 2.445 1.00 0.00 N ATOM 981 CA GLN A 82 4.976 14.406 2.089 1.00 0.00 C ATOM 982 C GLN A 82 5.282 14.283 0.577 1.00 0.00 C ATOM 983 O GLN A 82 5.877 15.190 -0.016 1.00 0.00 O ATOM 984 CB GLN A 82 6.153 13.862 2.946 1.00 0.00 C ATOM 985 CG GLN A 82 7.531 14.532 2.697 1.00 0.00 C ATOM 986 CD GLN A 82 7.540 16.060 2.861 1.00 0.00 C ATOM 987 OE1 GLN A 82 6.808 16.623 3.672 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.364 16.744 2.080 1.00 0.00 N ATOM 0 H GLN A 82 3.843 12.885 3.026 1.00 0.00 H new ATOM 0 HA GLN A 82 4.854 15.466 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.897 13.980 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.250 12.792 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.259 14.102 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.862 14.286 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.962 16.253 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.401 17.761 2.144 1.00 0.00 H new ATOM 997 N HIS A 83 4.832 13.176 -0.048 1.00 0.00 N ATOM 998 CA HIS A 83 5.000 12.946 -1.507 1.00 0.00 C ATOM 999 C HIS A 83 3.880 13.624 -2.318 1.00 0.00 C ATOM 1000 O HIS A 83 3.812 13.457 -3.538 1.00 0.00 O ATOM 1001 CB HIS A 83 5.021 11.427 -1.825 1.00 0.00 C ATOM 1002 CG HIS A 83 6.151 10.702 -1.173 1.00 0.00 C ATOM 1003 ND1 HIS A 83 6.038 10.128 0.063 1.00 0.00 N ATOM 1004 CD2 HIS A 83 7.428 10.499 -1.566 1.00 0.00 C ATOM 1005 CE1 HIS A 83 7.187 9.619 0.411 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.059 9.821 -0.554 1.00 0.00 N ATOM 0 H HIS A 83 4.346 12.420 0.434 1.00 0.00 H new ATOM 0 HA HIS A 83 5.953 13.389 -1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.079 10.983 -1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.085 11.290 -2.904 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.187 10.102 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.869 10.812 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.391 9.112 1.343 1.00 0.00 H new ATOM 1015 N GLY A 84 3.002 14.379 -1.625 1.00 0.00 N ATOM 1016 CA GLY A 84 1.863 15.046 -2.259 1.00 0.00 C ATOM 1017 C GLY A 84 0.713 14.093 -2.536 1.00 0.00 C ATOM 1018 O GLY A 84 -0.158 14.386 -3.360 1.00 0.00 O ATOM 0 H GLY A 84 3.068 14.538 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.515 15.854 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.187 15.501 -3.195 1.00 0.00 H new ATOM 1022 N ILE A 85 0.718 12.937 -1.842 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.347 11.936 -1.950 1.00 0.00 C ATOM 1024 C ILE A 85 -1.451 12.295 -0.955 1.00 0.00 C ATOM 1025 O ILE A 85 -1.211 12.339 0.260 1.00 0.00 O ATOM 1026 CB ILE A 85 0.149 10.479 -1.644 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.423 10.124 -2.469 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -0.983 9.451 -1.905 1.00 0.00 C ATOM 1029 CD1 ILE A 85 2.108 8.840 -2.029 1.00 0.00 C ATOM 0 H ILE A 85 1.462 12.677 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.706 11.948 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 85 0.419 10.434 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.149 10.036 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.134 10.947 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.620 8.447 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.834 9.676 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.292 9.507 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.985 8.664 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.415 8.930 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.416 8.004 -2.132 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.642 12.551 -1.480 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.822 12.882 -0.682 1.00 0.00 C ATOM 1043 C HIS A 86 -5.086 12.434 -1.439 1.00 0.00 C ATOM 1044 O HIS A 86 -4.998 11.602 -2.350 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.830 14.404 -0.321 1.00 0.00 C ATOM 1046 CG HIS A 86 -3.785 15.353 -1.483 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -4.912 15.838 -2.107 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -2.734 15.935 -2.108 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -4.556 16.671 -3.062 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -3.243 16.753 -3.078 1.00 0.00 N ATOM 0 H HIS A 86 -2.821 12.535 -2.484 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.800 12.346 0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.727 14.615 0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.976 14.609 0.324 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.872 15.591 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.689 15.782 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.229 17.199 -3.722 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.255 12.942 -1.021 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.534 12.679 -1.697 1.00 0.00 C ATOM 1061 C ASP A 87 -7.492 13.210 -3.153 1.00 0.00 C ATOM 1062 O ASP A 87 -7.172 14.384 -3.394 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.708 13.288 -0.882 1.00 0.00 C ATOM 1064 CG ASP A 87 -8.598 14.812 -0.710 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -7.692 15.276 0.012 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.403 15.562 -1.305 1.00 0.00 O ATOM 0 H ASP A 87 -6.340 13.547 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.700 11.603 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.649 13.052 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.741 12.819 0.101 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.763 12.308 -4.109 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.625 12.584 -5.544 1.00 0.00 C ATOM 1073 C GLY A 88 -6.352 12.001 -6.167 1.00 0.00 C ATOM 1074 O GLY A 88 -6.196 12.030 -7.385 1.00 0.00 O ATOM 0 H GLY A 88 -8.086 11.362 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.492 12.180 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.633 13.663 -5.699 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.425 11.500 -5.323 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.162 10.851 -5.765 1.00 0.00 C ATOM 1080 C LEU A 89 -4.266 9.325 -5.594 1.00 0.00 C ATOM 1081 O LEU A 89 -5.174 8.818 -4.916 1.00 0.00 O ATOM 1082 CB LEU A 89 -2.927 11.397 -4.967 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.406 12.831 -5.330 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -1.896 12.898 -6.782 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.463 13.913 -5.057 1.00 0.00 C ATOM 0 H LEU A 89 -5.528 11.532 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.013 11.089 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.182 11.390 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.103 10.696 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.560 13.036 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.543 13.907 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.077 12.191 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.707 12.644 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.060 14.890 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.352 13.712 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.728 13.905 -4.000 1.00 0.00 H new ATOM 1097 N THR A 90 -3.309 8.610 -6.218 1.00 0.00 N ATOM 1098 CA THR A 90 -3.233 7.142 -6.201 1.00 0.00 C ATOM 1099 C THR A 90 -1.754 6.684 -6.113 1.00 0.00 C ATOM 1100 O THR A 90 -0.890 7.167 -6.857 1.00 0.00 O ATOM 1101 CB THR A 90 -3.933 6.520 -7.464 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.290 7.003 -7.560 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.958 4.980 -7.427 1.00 0.00 C ATOM 0 H THR A 90 -2.558 9.045 -6.754 1.00 0.00 H new ATOM 0 HA THR A 90 -3.764 6.784 -5.319 1.00 0.00 H new ATOM 0 HB THR A 90 -3.350 6.827 -8.332 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.721 6.614 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.452 4.603 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.937 4.600 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.502 4.646 -6.544 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.490 5.753 -5.177 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.170 5.128 -4.960 1.00 0.00 C ATOM 1113 C VAL A 91 -0.122 3.799 -5.735 1.00 0.00 C ATOM 1114 O VAL A 91 -1.158 3.291 -6.156 1.00 0.00 O ATOM 1115 CB VAL A 91 0.096 4.846 -3.421 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.597 4.612 -3.138 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.463 5.973 -2.534 1.00 0.00 C ATOM 0 H VAL A 91 -2.204 5.406 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 91 0.601 5.813 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.436 3.929 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.741 4.422 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.946 3.753 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.164 5.496 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.262 5.745 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.016 6.916 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.539 6.057 -2.687 1.00 0.00 H new ATOM 1127 N HIS A 92 1.082 3.268 -5.960 1.00 0.00 N ATOM 1128 CA HIS A 92 1.274 1.919 -6.524 1.00 0.00 C ATOM 1129 C HIS A 92 1.622 0.932 -5.399 1.00 0.00 C ATOM 1130 O HIS A 92 2.239 1.312 -4.405 1.00 0.00 O ATOM 1131 CB HIS A 92 2.376 1.932 -7.603 1.00 0.00 C ATOM 1132 CG HIS A 92 2.010 2.740 -8.816 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.559 2.178 -9.983 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.008 4.077 -9.021 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.293 3.127 -10.850 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.558 4.292 -10.294 1.00 0.00 N ATOM 0 H HIS A 92 1.954 3.756 -5.758 1.00 0.00 H new ATOM 0 HA HIS A 92 0.347 1.598 -6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.293 2.333 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.588 0.907 -7.908 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.306 4.834 -8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.919 2.978 -11.852 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.446 5.203 -10.739 1.00 0.00 H new ATOM 1145 N LEU A 93 1.193 -0.326 -5.567 1.00 0.00 N ATOM 1146 CA LEU A 93 1.428 -1.408 -4.597 1.00 0.00 C ATOM 1147 C LEU A 93 1.724 -2.712 -5.339 1.00 0.00 C ATOM 1148 O LEU A 93 1.022 -3.061 -6.299 1.00 0.00 O ATOM 1149 CB LEU A 93 0.181 -1.603 -3.701 1.00 0.00 C ATOM 1150 CG LEU A 93 0.281 -2.683 -2.568 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.229 -2.246 -1.438 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.107 -3.043 -2.014 1.00 0.00 C ATOM 0 H LEU A 93 0.667 -0.626 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 93 2.280 -1.139 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.056 -0.646 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.661 -1.863 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 93 0.706 -3.579 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.268 -3.023 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.228 -2.084 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.863 -1.320 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.003 -3.794 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.577 -2.150 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.727 -3.441 -2.817 1.00 0.00 H new ATOM 1164 N VAL A 94 2.756 -3.423 -4.886 1.00 0.00 N ATOM 1165 CA VAL A 94 3.106 -4.763 -5.380 1.00 0.00 C ATOM 1166 C VAL A 94 2.903 -5.756 -4.233 1.00 0.00 C ATOM 1167 O VAL A 94 3.542 -5.620 -3.189 1.00 0.00 O ATOM 1168 CB VAL A 94 4.600 -4.833 -5.881 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.966 -6.251 -6.389 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.877 -3.766 -6.967 1.00 0.00 C ATOM 0 H VAL A 94 3.383 -3.084 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 94 2.468 -5.005 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 94 5.239 -4.616 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.003 -6.260 -6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.841 -6.971 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.312 -6.520 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.915 -3.839 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.217 -3.933 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.695 -2.773 -6.556 1.00 0.00 H new ATOM 1180 N ILE A 95 1.985 -6.719 -4.409 1.00 0.00 N ATOM 1181 CA ILE A 95 1.737 -7.785 -3.421 1.00 0.00 C ATOM 1182 C ILE A 95 2.374 -9.091 -3.933 1.00 0.00 C ATOM 1183 O ILE A 95 2.358 -9.358 -5.140 1.00 0.00 O ATOM 1184 CB ILE A 95 0.194 -8.001 -3.162 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.533 -6.637 -2.914 1.00 0.00 C ATOM 1186 CG2 ILE A 95 -0.036 -8.966 -1.969 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -2.028 -6.745 -2.642 1.00 0.00 C ATOM 0 H ILE A 95 1.394 -6.782 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 95 2.184 -7.489 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.233 -8.454 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.060 -6.139 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.382 -5.999 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.106 -9.099 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.421 -9.931 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.415 -8.547 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.442 -5.749 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.520 -7.210 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.193 -7.353 -1.752 1.00 0.00 H new ATOM 1199 N LYS A 96 2.938 -9.890 -3.010 1.00 0.00 N ATOM 1200 CA LYS A 96 3.570 -11.192 -3.324 1.00 0.00 C ATOM 1201 C LYS A 96 2.707 -12.383 -2.858 1.00 0.00 C ATOM 1202 O LYS A 96 3.235 -13.410 -2.417 1.00 0.00 O ATOM 1203 CB LYS A 96 4.995 -11.239 -2.700 1.00 0.00 C ATOM 1204 CG LYS A 96 6.004 -10.270 -3.361 1.00 0.00 C ATOM 1205 CD LYS A 96 7.381 -10.236 -2.650 1.00 0.00 C ATOM 1206 CE LYS A 96 8.078 -11.607 -2.605 1.00 0.00 C ATOM 1207 NZ LYS A 96 8.315 -12.167 -3.960 1.00 0.00 N ATOM 0 H LYS A 96 2.970 -9.653 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 96 3.653 -11.283 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.923 -11.004 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.380 -12.256 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.148 -10.561 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.581 -9.265 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.029 -9.524 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.247 -9.871 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.030 -11.510 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.468 -12.303 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.831 -13.066 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.403 -12.333 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.877 -11.495 -4.520 1.00 0.00 H new