USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 891 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 70 TYR OH : rot 131:sc= -1.07 USER MOD Set 1.2: A 71 ASN : amide:sc= -7.22! C(o=-8.3!,f=-16!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.25) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 53 ASN : amide:sc= -4.74 K(o=-4.7,f=-7.7!) USER MOD Single : A 55 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= -0.655 (180deg=-0.72) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.32 F(o=-3.2,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.296 F(o=-1.2,f=-0.3) USER MOD Single : A 75 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.021) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -5.03 F(o=-7.3!,f=-5) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 142:sc= -3.55! (180deg=-5.5!) USER MOD Single : A 95 MET CE :methyl 170:sc= -7.07! (180deg=-7.77!) USER MOD Single : A 96 HIS : no HE2:sc= -3.53 K(o=-3.5,f=-9.5!) USER MOD Single : A 97 TYR OH : rot -11:sc= 0.547 USER MOD Single : A 99 THR OG1 : rot -150:sc= -0.934 USER MOD Single : A 103 ASN : amide:sc= -0.717 X(o=-0.72,f=-0.67) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -105:sc= -1.9! (180deg=-2.44!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 114 LYS NZ :NH3+ 153:sc= -1.74 (180deg=-5.06!) USER MOD Single : A 118 GLN : amide:sc= -7.24 K(o=-7.2,f=-19!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.191 F(o=-1,f=-0.19) USER MOD Single : A 125 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.6!) USER MOD Single : A 127 GLN : amide:sc= -8.95! C(o=-9!,f=-15!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 6.460 7.770 11.605 1.00 0.00 N ATOM 75 CA PRO A 6 5.235 7.939 12.391 1.00 0.00 C ATOM 76 C PRO A 6 4.834 9.404 12.532 1.00 0.00 C ATOM 77 O PRO A 6 5.676 10.268 12.774 1.00 0.00 O ATOM 78 CB PRO A 6 5.612 7.355 13.752 1.00 0.00 C ATOM 79 CG PRO A 6 7.082 7.569 13.856 1.00 0.00 C ATOM 80 CD PRO A 6 7.623 7.449 12.456 1.00 0.00 C ATOM 0 HA PRO A 6 4.377 7.455 11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.080 7.857 14.560 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.360 6.296 13.813 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.304 8.550 14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.538 6.829 14.514 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.448 8.140 12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.001 6.446 12.257 1.00 0.00 H new ATOM 88 N LYS A 7 3.541 9.675 12.381 1.00 0.00 N ATOM 89 CA LYS A 7 3.027 11.035 12.492 1.00 0.00 C ATOM 90 C LYS A 7 3.652 11.943 11.438 1.00 0.00 C ATOM 91 O LYS A 7 4.849 12.226 11.480 1.00 0.00 O ATOM 92 CB LYS A 7 3.300 11.593 13.890 1.00 0.00 C ATOM 93 CG LYS A 7 2.197 11.293 14.891 1.00 0.00 C ATOM 94 CD LYS A 7 1.225 12.456 15.013 1.00 0.00 C ATOM 95 CE LYS A 7 0.761 12.646 16.449 1.00 0.00 C ATOM 96 NZ LYS A 7 0.562 14.083 16.782 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.831 8.971 12.182 1.00 0.00 H new ATOM 0 HA LYS A 7 1.950 11.004 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.238 11.179 14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.433 12.673 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.658 10.397 14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.636 11.081 15.866 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.703 13.370 14.660 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.362 12.279 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.172 12.105 16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.496 12.214 17.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.246 14.170 17.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.459 14.595 16.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.158 14.489 16.151 1.00 0.00 H new ATOM 110 N LYS A 8 2.834 12.395 10.494 1.00 0.00 N ATOM 111 CA LYS A 8 3.307 13.272 9.428 1.00 0.00 C ATOM 112 C LYS A 8 2.139 13.794 8.595 1.00 0.00 C ATOM 113 O LYS A 8 1.088 13.158 8.517 1.00 0.00 O ATOM 114 CB LYS A 8 4.298 12.529 8.530 1.00 0.00 C ATOM 115 CG LYS A 8 5.750 12.722 8.937 1.00 0.00 C ATOM 116 CD LYS A 8 6.669 12.745 7.727 1.00 0.00 C ATOM 117 CE LYS A 8 6.708 14.120 7.082 1.00 0.00 C ATOM 118 NZ LYS A 8 7.962 14.337 6.309 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.841 12.169 10.445 1.00 0.00 H new ATOM 0 HA LYS A 8 3.811 14.122 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.063 11.465 8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.169 12.868 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.853 13.655 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.051 11.918 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.676 12.455 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.330 12.009 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.850 14.235 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.620 14.885 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.949 15.287 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.781 14.253 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.034 13.623 5.556 1.00 0.00 H new ATOM 132 N PRO A 9 2.309 14.965 7.957 1.00 0.00 N ATOM 133 CA PRO A 9 1.263 15.570 7.126 1.00 0.00 C ATOM 134 C PRO A 9 1.011 14.778 5.847 1.00 0.00 C ATOM 135 O PRO A 9 1.940 14.480 5.097 1.00 0.00 O ATOM 136 CB PRO A 9 1.826 16.955 6.795 1.00 0.00 C ATOM 137 CG PRO A 9 3.303 16.801 6.907 1.00 0.00 C ATOM 138 CD PRO A 9 3.532 15.789 7.995 1.00 0.00 C ATOM 0 HA PRO A 9 0.301 15.599 7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.536 17.271 5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.453 17.710 7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.733 16.464 5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.777 17.751 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.425 15.192 7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.665 16.266 8.966 1.00 0.00 H new ATOM 146 N VAL A 10 -0.251 14.440 5.606 1.00 0.00 N ATOM 147 CA VAL A 10 -0.625 13.681 4.419 1.00 0.00 C ATOM 148 C VAL A 10 -1.195 14.597 3.336 1.00 0.00 C ATOM 149 O VAL A 10 -1.695 15.683 3.630 1.00 0.00 O ATOM 150 CB VAL A 10 -1.652 12.578 4.757 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.201 11.785 5.974 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.034 13.172 4.984 1.00 0.00 C ATOM 0 H VAL A 10 -1.032 14.680 6.217 1.00 0.00 H new ATOM 0 HA VAL A 10 0.283 13.210 4.042 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.714 11.899 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.936 11.012 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.237 11.320 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.106 12.454 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.738 12.375 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.995 13.879 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.361 13.689 4.082 1.00 0.00 H new ATOM 162 N PRO A 11 -1.125 14.169 2.065 1.00 0.00 N ATOM 163 CA PRO A 11 -1.635 14.952 0.937 1.00 0.00 C ATOM 164 C PRO A 11 -3.158 14.927 0.855 1.00 0.00 C ATOM 165 O PRO A 11 -3.832 14.487 1.786 1.00 0.00 O ATOM 166 CB PRO A 11 -1.023 14.254 -0.276 1.00 0.00 C ATOM 167 CG PRO A 11 -0.846 12.840 0.155 1.00 0.00 C ATOM 168 CD PRO A 11 -0.543 12.885 1.629 1.00 0.00 C ATOM 0 HA PRO A 11 -1.374 16.007 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.676 14.325 -1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.071 14.706 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.747 12.258 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.034 12.364 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.991 12.043 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.530 12.846 1.819 1.00 0.00 H new ATOM 176 N ALA A 12 -3.693 15.401 -0.265 1.00 0.00 N ATOM 177 CA ALA A 12 -5.136 15.433 -0.469 1.00 0.00 C ATOM 178 C ALA A 12 -5.498 15.024 -1.892 1.00 0.00 C ATOM 179 O ALA A 12 -5.085 15.667 -2.857 1.00 0.00 O ATOM 180 CB ALA A 12 -5.683 16.818 -0.160 1.00 0.00 C ATOM 0 H ALA A 12 -3.149 15.768 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.590 14.715 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.762 16.827 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.465 17.072 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.215 17.549 -0.819 1.00 0.00 H new ATOM 186 N ALA A 13 -6.272 13.951 -2.016 1.00 0.00 N ATOM 187 CA ALA A 13 -6.690 13.456 -3.323 1.00 0.00 C ATOM 188 C ALA A 13 -7.654 12.284 -3.183 1.00 0.00 C ATOM 189 O ALA A 13 -7.919 11.813 -2.077 1.00 0.00 O ATOM 190 CB ALA A 13 -5.476 13.049 -4.145 1.00 0.00 C ATOM 0 H ALA A 13 -6.623 13.407 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.212 14.261 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.802 12.681 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.824 13.912 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.931 12.262 -3.624 1.00 0.00 H new ATOM 196 N GLU A 14 -8.176 11.816 -4.312 1.00 0.00 N ATOM 197 CA GLU A 14 -9.111 10.697 -4.317 1.00 0.00 C ATOM 198 C GLU A 14 -9.497 10.316 -5.742 1.00 0.00 C ATOM 199 O GLU A 14 -10.526 10.756 -6.256 1.00 0.00 O ATOM 200 CB GLU A 14 -10.364 11.049 -3.513 1.00 0.00 C ATOM 201 CG GLU A 14 -11.026 12.345 -3.955 1.00 0.00 C ATOM 202 CD GLU A 14 -12.539 12.253 -3.962 1.00 0.00 C ATOM 203 OE1 GLU A 14 -13.104 11.678 -3.008 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -13.160 12.757 -4.922 1.00 0.00 O ATOM 0 H GLU A 14 -7.967 12.195 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.618 9.842 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.083 10.235 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.099 11.127 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.718 13.152 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.677 12.605 -4.954 1.00 0.00 H new ATOM 211 N GLU A 15 -8.666 9.495 -6.376 1.00 0.00 N ATOM 212 CA GLU A 15 -8.921 9.055 -7.743 1.00 0.00 C ATOM 213 C GLU A 15 -7.986 7.915 -8.131 1.00 0.00 C ATOM 214 O GLU A 15 -7.191 7.446 -7.316 1.00 0.00 O ATOM 215 CB GLU A 15 -8.752 10.223 -8.717 1.00 0.00 C ATOM 216 CG GLU A 15 -10.029 11.015 -8.944 1.00 0.00 C ATOM 217 CD GLU A 15 -10.162 11.511 -10.371 1.00 0.00 C ATOM 218 OE1 GLU A 15 -9.633 10.841 -11.283 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -10.793 12.568 -10.576 1.00 0.00 O ATOM 0 H GLU A 15 -7.811 9.121 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.948 8.693 -7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.981 10.893 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.397 9.839 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.888 10.390 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.050 11.867 -8.264 1.00 0.00 H new ATOM 226 N ALA A 16 -8.086 7.474 -9.381 1.00 0.00 N ATOM 227 CA ALA A 16 -7.249 6.388 -9.878 1.00 0.00 C ATOM 228 C ALA A 16 -7.048 6.497 -11.387 1.00 0.00 C ATOM 229 O ALA A 16 -7.799 7.189 -12.073 1.00 0.00 O ATOM 230 CB ALA A 16 -7.863 5.043 -9.520 1.00 0.00 C ATOM 0 H ALA A 16 -8.738 7.852 -10.068 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.272 6.467 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.228 4.241 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.949 4.959 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.853 4.964 -9.970 1.00 0.00 H new ATOM 236 N PRO A 17 -6.025 5.810 -11.926 1.00 0.00 N ATOM 237 CA PRO A 17 -5.729 5.833 -13.362 1.00 0.00 C ATOM 238 C PRO A 17 -6.775 5.084 -14.181 1.00 0.00 C ATOM 239 O PRO A 17 -6.593 3.914 -14.517 1.00 0.00 O ATOM 240 CB PRO A 17 -4.373 5.132 -13.456 1.00 0.00 C ATOM 241 CG PRO A 17 -4.324 4.241 -12.263 1.00 0.00 C ATOM 242 CD PRO A 17 -5.080 4.959 -11.179 1.00 0.00 C ATOM 0 HA PRO A 17 -5.728 6.847 -13.762 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.286 4.561 -14.380 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.554 5.851 -13.447 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.777 3.273 -12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.294 4.050 -11.960 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.600 4.261 -10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.415 5.552 -10.551 1.00 0.00 H new ATOM 499 N GLU A 36 -8.748 -1.721 -6.751 1.00 0.00 N ATOM 500 CA GLU A 36 -8.233 -2.668 -5.769 1.00 0.00 C ATOM 501 C GLU A 36 -8.590 -2.229 -4.351 1.00 0.00 C ATOM 502 O GLU A 36 -7.805 -1.553 -3.685 1.00 0.00 O ATOM 503 CB GLU A 36 -6.715 -2.803 -5.906 1.00 0.00 C ATOM 504 CG GLU A 36 -6.277 -3.441 -7.214 1.00 0.00 C ATOM 505 CD GLU A 36 -6.942 -4.782 -7.459 1.00 0.00 C ATOM 506 OE1 GLU A 36 -8.143 -4.796 -7.800 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -6.260 -5.818 -7.310 1.00 0.00 O ATOM 0 HA GLU A 36 -8.695 -3.637 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.262 -1.815 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.335 -3.398 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.510 -2.768 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.195 -3.572 -7.206 1.00 0.00 H new ATOM 514 N PRO A 37 -9.785 -2.610 -3.868 1.00 0.00 N ATOM 515 CA PRO A 37 -10.244 -2.252 -2.522 1.00 0.00 C ATOM 516 C PRO A 37 -9.465 -2.983 -1.432 1.00 0.00 C ATOM 517 O PRO A 37 -8.573 -3.780 -1.722 1.00 0.00 O ATOM 518 CB PRO A 37 -11.710 -2.690 -2.517 1.00 0.00 C ATOM 519 CG PRO A 37 -11.784 -3.776 -3.533 1.00 0.00 C ATOM 520 CD PRO A 37 -10.782 -3.418 -4.596 1.00 0.00 C ATOM 0 HA PRO A 37 -10.102 -1.192 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.013 -3.047 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.371 -1.862 -2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.552 -4.743 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.787 -3.851 -3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.333 -4.306 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.241 -2.854 -5.408 1.00 0.00 H new ATOM 528 N ARG A 38 -9.810 -2.706 -0.179 1.00 0.00 N ATOM 529 CA ARG A 38 -9.144 -3.337 0.954 1.00 0.00 C ATOM 530 C ARG A 38 -9.785 -2.909 2.270 1.00 0.00 C ATOM 531 O ARG A 38 -10.660 -2.043 2.293 1.00 0.00 O ATOM 532 CB ARG A 38 -7.655 -2.982 0.960 1.00 0.00 C ATOM 533 CG ARG A 38 -7.383 -1.497 0.788 1.00 0.00 C ATOM 534 CD ARG A 38 -7.352 -0.778 2.127 1.00 0.00 C ATOM 535 NE ARG A 38 -8.670 -0.274 2.508 1.00 0.00 N ATOM 536 CZ ARG A 38 -8.904 0.421 3.619 1.00 0.00 C ATOM 537 NH1 ARG A 38 -7.915 0.697 4.459 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -10.132 0.843 3.890 1.00 0.00 N ATOM 0 H ARG A 38 -10.547 -2.049 0.077 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.253 -4.417 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.214 -3.317 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.156 -3.529 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.431 -1.357 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.153 -1.056 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.988 -1.459 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.647 0.052 2.077 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.456 -0.466 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.968 0.376 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.101 1.230 5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.896 0.635 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.312 1.376 4.741 1.00 0.00 H new ATOM 552 N GLU A 39 -9.344 -3.521 3.364 1.00 0.00 N ATOM 553 CA GLU A 39 -9.875 -3.203 4.684 1.00 0.00 C ATOM 554 C GLU A 39 -8.901 -2.326 5.466 1.00 0.00 C ATOM 555 O GLU A 39 -7.900 -1.858 4.924 1.00 0.00 O ATOM 556 CB GLU A 39 -10.163 -4.487 5.464 1.00 0.00 C ATOM 557 CG GLU A 39 -11.420 -4.413 6.315 1.00 0.00 C ATOM 558 CD GLU A 39 -11.240 -5.049 7.679 1.00 0.00 C ATOM 559 OE1 GLU A 39 -10.281 -4.674 8.387 1.00 0.00 O ATOM 560 OE2 GLU A 39 -12.057 -5.922 8.040 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.620 -4.240 3.362 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.805 -2.651 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.258 -5.315 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.312 -4.710 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.708 -3.369 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.238 -4.909 5.792 1.00 0.00 H new ATOM 567 N HIS A 40 -9.202 -2.109 6.742 1.00 0.00 N ATOM 568 CA HIS A 40 -8.352 -1.289 7.598 1.00 0.00 C ATOM 569 C HIS A 40 -7.545 -2.159 8.559 1.00 0.00 C ATOM 570 O HIS A 40 -7.996 -3.229 8.968 1.00 0.00 O ATOM 571 CB HIS A 40 -9.201 -0.290 8.387 1.00 0.00 C ATOM 572 CG HIS A 40 -10.372 -0.915 9.080 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.630 -0.984 8.519 1.00 0.00 N ATOM 574 CD2 HIS A 40 -10.471 -1.503 10.296 1.00 0.00 C ATOM 575 CE1 HIS A 40 -12.452 -1.586 9.360 1.00 0.00 C ATOM 576 NE2 HIS A 40 -11.774 -1.911 10.445 1.00 0.00 N ATOM 0 H HIS A 40 -10.027 -2.489 7.206 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.657 -0.742 6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.572 0.203 9.128 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.561 0.483 7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.674 -1.628 11.014 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.501 -1.779 9.189 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.156 -2.388 11.262 1.00 0.00 H new ATOM 585 N PRO A 41 -6.335 -1.708 8.933 1.00 0.00 N ATOM 586 CA PRO A 41 -5.466 -2.451 9.851 1.00 0.00 C ATOM 587 C PRO A 41 -5.994 -2.446 11.281 1.00 0.00 C ATOM 588 O PRO A 41 -7.103 -1.979 11.543 1.00 0.00 O ATOM 589 CB PRO A 41 -4.137 -1.697 9.769 1.00 0.00 C ATOM 590 CG PRO A 41 -4.514 -0.310 9.380 1.00 0.00 C ATOM 591 CD PRO A 41 -5.721 -0.441 8.493 1.00 0.00 C ATOM 0 HA PRO A 41 -5.392 -3.504 9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.613 -1.712 10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.471 -2.148 9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.740 0.294 10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.696 0.184 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.403 0.400 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.443 -0.474 7.439 1.00 0.00 H new ATOM 599 N ILE A 42 -5.194 -2.970 12.204 1.00 0.00 N ATOM 600 CA ILE A 42 -5.580 -3.026 13.609 1.00 0.00 C ATOM 601 C ILE A 42 -4.670 -2.149 14.464 1.00 0.00 C ATOM 602 O ILE A 42 -3.550 -1.829 14.068 1.00 0.00 O ATOM 603 CB ILE A 42 -5.543 -4.472 14.144 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.075 -4.525 15.578 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.130 -5.031 14.075 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.275 -5.933 16.096 1.00 0.00 C ATOM 0 H ILE A 42 -4.274 -3.362 12.004 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.602 -2.652 13.674 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.185 -5.089 13.516 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.381 -4.000 16.234 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.024 -3.991 15.625 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.124 -6.052 14.457 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.788 -5.028 13.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.465 -4.414 14.679 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.653 -5.895 17.117 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.992 -6.455 15.463 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.324 -6.465 16.081 1.00 0.00 H new ATOM 618 N MET A 43 -5.160 -1.765 15.639 1.00 0.00 N ATOM 619 CA MET A 43 -4.391 -0.925 16.550 1.00 0.00 C ATOM 620 C MET A 43 -3.071 -1.592 16.924 1.00 0.00 C ATOM 621 O MET A 43 -2.997 -2.814 17.058 1.00 0.00 O ATOM 622 CB MET A 43 -5.203 -0.632 17.814 1.00 0.00 C ATOM 623 CG MET A 43 -5.666 -1.883 18.542 1.00 0.00 C ATOM 624 SD MET A 43 -7.311 -1.700 19.259 1.00 0.00 S ATOM 625 CE MET A 43 -8.303 -2.590 18.062 1.00 0.00 C ATOM 0 H MET A 43 -6.086 -2.022 15.982 1.00 0.00 H new ATOM 0 HA MET A 43 -4.171 0.013 16.040 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.599 -0.029 18.492 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.074 -0.034 17.546 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.668 -2.723 17.848 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.954 -2.124 19.332 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.349 -2.566 18.367 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.200 -2.121 17.083 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.965 -3.625 18.006 1.00 0.00 H new ATOM 635 N GLY A 44 -2.031 -0.782 17.091 1.00 0.00 N ATOM 636 CA GLY A 44 -0.728 -1.311 17.447 1.00 0.00 C ATOM 637 C GLY A 44 0.366 -0.264 17.368 1.00 0.00 C ATOM 638 O GLY A 44 0.094 0.908 17.106 1.00 0.00 O ATOM 0 H GLY A 44 -2.068 0.232 16.986 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.768 -1.715 18.459 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.482 -2.139 16.783 1.00 0.00 H new ATOM 642 N GLY A 45 1.605 -0.687 17.594 1.00 0.00 N ATOM 643 CA GLY A 45 2.724 0.236 17.541 1.00 0.00 C ATOM 644 C GLY A 45 3.567 0.055 16.294 1.00 0.00 C ATOM 645 O GLY A 45 3.124 -0.554 15.320 1.00 0.00 O ATOM 0 H GLY A 45 1.854 -1.652 17.813 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.349 1.259 17.577 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.350 0.095 18.422 1.00 0.00 H new ATOM 649 N ILE A 46 4.785 0.587 16.323 1.00 0.00 N ATOM 650 CA ILE A 46 5.692 0.482 15.186 1.00 0.00 C ATOM 651 C ILE A 46 6.507 -0.806 15.252 1.00 0.00 C ATOM 652 O ILE A 46 7.719 -0.777 15.470 1.00 0.00 O ATOM 653 CB ILE A 46 6.653 1.685 15.118 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.893 2.992 15.351 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.371 1.714 13.777 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.881 3.304 14.270 1.00 0.00 C ATOM 0 H ILE A 46 5.166 1.095 17.121 1.00 0.00 H new ATOM 0 HA ILE A 46 5.074 0.472 14.288 1.00 0.00 H new ATOM 0 HB ILE A 46 7.399 1.578 15.906 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.381 2.939 16.312 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.608 3.812 15.416 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.046 2.569 13.744 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.943 0.795 13.651 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.639 1.799 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.380 4.244 14.501 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.389 3.390 13.310 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.143 2.503 14.220 1.00 0.00 H new ATOM 668 N TYR A 47 5.834 -1.937 15.063 1.00 0.00 N ATOM 669 CA TYR A 47 6.497 -3.236 15.101 1.00 0.00 C ATOM 670 C TYR A 47 5.514 -4.358 14.782 1.00 0.00 C ATOM 671 O TYR A 47 5.854 -5.316 14.087 1.00 0.00 O ATOM 672 CB TYR A 47 7.128 -3.469 16.476 1.00 0.00 C ATOM 673 CG TYR A 47 8.605 -3.147 16.527 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.462 -3.567 15.517 1.00 0.00 C ATOM 675 CD2 TYR A 47 9.141 -2.424 17.585 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.812 -3.275 15.561 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.490 -2.128 17.635 1.00 0.00 C ATOM 678 CZ TYR A 47 11.321 -2.555 16.621 1.00 0.00 C ATOM 679 OH TYR A 47 12.664 -2.262 16.668 1.00 0.00 O ATOM 0 H TYR A 47 4.831 -1.980 14.882 1.00 0.00 H new ATOM 0 HA TYR A 47 7.281 -3.239 14.344 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.606 -2.860 17.214 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.982 -4.511 16.762 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.067 -4.130 14.685 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.493 -2.088 18.381 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.465 -3.609 14.769 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.891 -1.565 18.464 1.00 0.00 H new ATOM 0 HH TYR A 47 12.859 -1.748 17.479 1.00 0.00 H new ATOM 689 N ASP A 48 4.293 -4.235 15.295 1.00 0.00 N ATOM 690 CA ASP A 48 3.261 -5.239 15.066 1.00 0.00 C ATOM 691 C ASP A 48 3.027 -5.453 13.573 1.00 0.00 C ATOM 692 O ASP A 48 3.026 -4.501 12.792 1.00 0.00 O ATOM 693 CB ASP A 48 1.954 -4.821 15.743 1.00 0.00 C ATOM 694 CG ASP A 48 1.201 -6.001 16.325 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.848 -6.868 16.951 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 -0.035 -6.060 16.156 1.00 0.00 O ATOM 0 H ASP A 48 3.995 -3.449 15.872 1.00 0.00 H new ATOM 0 HA ASP A 48 3.604 -6.179 15.499 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.172 -4.106 16.536 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.320 -4.311 15.018 1.00 0.00 H new ATOM 701 N ALA A 49 2.830 -6.708 13.185 1.00 0.00 N ATOM 702 CA ALA A 49 2.595 -7.048 11.787 1.00 0.00 C ATOM 703 C ALA A 49 1.545 -8.150 11.657 1.00 0.00 C ATOM 704 O ALA A 49 1.780 -9.170 11.009 1.00 0.00 O ATOM 705 CB ALA A 49 3.897 -7.474 11.124 1.00 0.00 C ATOM 0 H ALA A 49 2.828 -7.507 13.819 1.00 0.00 H new ATOM 0 HA ALA A 49 2.215 -6.161 11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.709 -7.725 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.616 -6.657 11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.300 -8.345 11.640 1.00 0.00 H new ATOM 711 N PRO A 50 0.366 -7.958 12.274 1.00 0.00 N ATOM 712 CA PRO A 50 -0.721 -8.941 12.224 1.00 0.00 C ATOM 713 C PRO A 50 -1.180 -9.226 10.798 1.00 0.00 C ATOM 714 O PRO A 50 -0.872 -10.276 10.235 1.00 0.00 O ATOM 715 CB PRO A 50 -1.848 -8.289 13.037 1.00 0.00 C ATOM 716 CG PRO A 50 -1.497 -6.841 13.112 1.00 0.00 C ATOM 717 CD PRO A 50 0.002 -6.773 13.067 1.00 0.00 C ATOM 0 HA PRO A 50 -0.408 -9.907 12.619 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.815 -8.434 12.555 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.919 -8.728 14.032 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.937 -6.290 12.281 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.880 -6.394 14.029 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.350 -5.852 12.599 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.437 -6.807 14.066 1.00 0.00 H new ATOM 725 N LEU A 51 -1.918 -8.286 10.221 1.00 0.00 N ATOM 726 CA LEU A 51 -2.421 -8.434 8.860 1.00 0.00 C ATOM 727 C LEU A 51 -3.288 -9.684 8.733 1.00 0.00 C ATOM 728 O LEU A 51 -2.890 -10.670 8.111 1.00 0.00 O ATOM 729 CB LEU A 51 -1.258 -8.499 7.867 1.00 0.00 C ATOM 730 CG LEU A 51 -1.521 -7.827 6.517 1.00 0.00 C ATOM 731 CD1 LEU A 51 -0.336 -8.022 5.583 1.00 0.00 C ATOM 732 CD2 LEU A 51 -2.794 -8.375 5.889 1.00 0.00 C ATOM 0 H LEU A 51 -2.182 -7.411 10.675 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.036 -7.564 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.384 -8.034 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.007 -9.545 7.692 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.653 -6.758 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.541 -7.537 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.555 -7.581 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.172 -9.087 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.966 -7.886 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.691 -9.449 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.638 -8.182 6.551 1.00 0.00 H new ATOM 744 N ASN A 52 -4.476 -9.636 9.327 1.00 0.00 N ATOM 745 CA ASN A 52 -5.400 -10.763 9.281 1.00 0.00 C ATOM 746 C ASN A 52 -5.777 -11.100 7.842 1.00 0.00 C ATOM 747 O ASN A 52 -6.035 -12.258 7.512 1.00 0.00 O ATOM 748 CB ASN A 52 -6.660 -10.451 10.091 1.00 0.00 C ATOM 749 CG ASN A 52 -6.380 -10.348 11.578 1.00 0.00 C ATOM 750 OD1 ASN A 52 -6.658 -9.325 12.204 1.00 0.00 O ATOM 751 ND2 ASN A 52 -5.827 -11.410 12.151 1.00 0.00 N ATOM 0 H ASN A 52 -4.821 -8.829 9.846 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.900 -11.627 9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.092 -9.514 9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.403 -11.230 9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.616 -11.399 13.149 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.613 -12.237 11.593 1.00 0.00 H new ATOM 758 N ASN A 53 -5.808 -10.081 6.990 1.00 0.00 N ATOM 759 CA ASN A 53 -6.154 -10.269 5.586 1.00 0.00 C ATOM 760 C ASN A 53 -4.927 -10.671 4.772 1.00 0.00 C ATOM 761 O ASN A 53 -4.484 -9.935 3.891 1.00 0.00 O ATOM 762 CB ASN A 53 -6.766 -8.988 5.015 1.00 0.00 C ATOM 763 CG ASN A 53 -5.813 -7.811 5.084 1.00 0.00 C ATOM 764 OD1 ASN A 53 -5.085 -7.530 4.132 1.00 0.00 O ATOM 765 ND2 ASN A 53 -5.813 -7.116 6.215 1.00 0.00 N ATOM 0 H ASN A 53 -5.598 -9.117 7.247 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.887 -11.073 5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.055 -9.158 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.676 -8.747 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.193 -6.313 6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.433 -7.385 6.979 1.00 0.00 H new ATOM 772 N GLU A 54 -4.383 -11.845 5.075 1.00 0.00 N ATOM 773 CA GLU A 54 -3.207 -12.347 4.373 1.00 0.00 C ATOM 774 C GLU A 54 -3.578 -13.468 3.403 1.00 0.00 C ATOM 775 O GLU A 54 -2.715 -14.225 2.960 1.00 0.00 O ATOM 776 CB GLU A 54 -2.166 -12.850 5.376 1.00 0.00 C ATOM 777 CG GLU A 54 -2.635 -14.044 6.192 1.00 0.00 C ATOM 778 CD GLU A 54 -1.537 -15.066 6.412 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.349 -14.687 6.340 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 -1.866 -16.247 6.655 1.00 0.00 O ATOM 0 H GLU A 54 -4.738 -12.467 5.802 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.784 -11.524 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.258 -13.122 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.904 -12.037 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.003 -13.698 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.473 -14.520 5.684 1.00 0.00 H new ATOM 787 N ASN A 55 -4.864 -13.571 3.078 1.00 0.00 N ATOM 788 CA ASN A 55 -5.339 -14.601 2.161 1.00 0.00 C ATOM 789 C ASN A 55 -4.644 -14.492 0.808 1.00 0.00 C ATOM 790 O ASN A 55 -4.338 -15.501 0.173 1.00 0.00 O ATOM 791 CB ASN A 55 -6.854 -14.492 1.979 1.00 0.00 C ATOM 792 CG ASN A 55 -7.414 -15.602 1.111 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.759 -16.676 1.603 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.507 -15.347 -0.189 1.00 0.00 N ATOM 0 H ASN A 55 -5.594 -12.955 3.436 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.100 -15.573 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.337 -14.519 2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.095 -13.528 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.876 -16.056 -0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.209 -14.442 -0.554 1.00 0.00 H new ATOM 801 N GLY A 56 -4.396 -13.260 0.373 1.00 0.00 N ATOM 802 CA GLY A 56 -3.737 -13.043 -0.901 1.00 0.00 C ATOM 803 C GLY A 56 -4.406 -11.959 -1.724 1.00 0.00 C ATOM 804 O GLY A 56 -3.740 -11.066 -2.247 1.00 0.00 O ATOM 0 H GLY A 56 -4.640 -12.409 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.696 -12.772 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.733 -13.974 -1.467 1.00 0.00 H new ATOM 808 N PHE A 57 -5.728 -12.038 -1.840 1.00 0.00 N ATOM 809 CA PHE A 57 -6.487 -11.056 -2.606 1.00 0.00 C ATOM 810 C PHE A 57 -6.390 -9.675 -1.966 1.00 0.00 C ATOM 811 O PHE A 57 -6.287 -8.664 -2.661 1.00 0.00 O ATOM 812 CB PHE A 57 -7.953 -11.482 -2.708 1.00 0.00 C ATOM 813 CG PHE A 57 -8.184 -12.612 -3.671 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.243 -12.376 -5.035 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.343 -13.909 -3.211 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.456 -13.413 -5.923 1.00 0.00 C ATOM 817 CE2 PHE A 57 -8.556 -14.951 -4.094 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.612 -14.702 -5.451 1.00 0.00 C ATOM 0 H PHE A 57 -6.295 -12.771 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.060 -11.003 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.306 -11.779 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.551 -10.625 -3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.121 -11.370 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.300 -14.108 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.500 -13.216 -6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.678 -15.958 -3.723 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.778 -15.514 -6.143 1.00 0.00 H new ATOM 828 N ASP A 58 -6.423 -9.641 -0.638 1.00 0.00 N ATOM 829 CA ASP A 58 -6.339 -8.383 0.096 1.00 0.00 C ATOM 830 C ASP A 58 -4.950 -7.766 -0.038 1.00 0.00 C ATOM 831 O ASP A 58 -4.813 -6.593 -0.382 1.00 0.00 O ATOM 832 CB ASP A 58 -6.670 -8.608 1.572 1.00 0.00 C ATOM 833 CG ASP A 58 -8.146 -8.429 1.867 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.696 -7.362 1.519 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -8.753 -9.354 2.447 1.00 0.00 O ATOM 0 H ASP A 58 -6.507 -10.469 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.066 -7.692 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.364 -9.613 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.093 -7.912 2.181 1.00 0.00 H new ATOM 840 N LYS A 59 -3.923 -8.565 0.237 1.00 0.00 N ATOM 841 CA LYS A 59 -2.546 -8.094 0.146 1.00 0.00 C ATOM 842 C LYS A 59 -2.225 -7.624 -1.270 1.00 0.00 C ATOM 843 O LYS A 59 -1.518 -6.634 -1.461 1.00 0.00 O ATOM 844 CB LYS A 59 -1.576 -9.203 0.566 1.00 0.00 C ATOM 845 CG LYS A 59 -1.461 -10.334 -0.445 1.00 0.00 C ATOM 846 CD LYS A 59 -0.361 -11.312 -0.065 1.00 0.00 C ATOM 847 CE LYS A 59 0.903 -11.070 -0.874 1.00 0.00 C ATOM 848 NZ LYS A 59 2.037 -11.909 -0.397 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.019 -9.539 0.524 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.430 -7.248 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.589 -8.769 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.901 -9.614 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.412 -10.862 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.257 -9.921 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.138 -11.216 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.708 -12.333 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.708 -11.286 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.179 -10.017 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.914 -11.608 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.142 -11.799 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.849 -12.907 -0.621 1.00 0.00 H new ATOM 862 N GLU A 60 -2.748 -8.342 -2.258 1.00 0.00 N ATOM 863 CA GLU A 60 -2.517 -8.000 -3.656 1.00 0.00 C ATOM 864 C GLU A 60 -3.188 -6.677 -4.011 1.00 0.00 C ATOM 865 O GLU A 60 -2.552 -5.773 -4.553 1.00 0.00 O ATOM 866 CB GLU A 60 -3.039 -9.111 -4.568 1.00 0.00 C ATOM 867 CG GLU A 60 -2.220 -10.390 -4.500 1.00 0.00 C ATOM 868 CD GLU A 60 -1.178 -10.473 -5.598 1.00 0.00 C ATOM 869 OE1 GLU A 60 -1.523 -10.198 -6.766 1.00 0.00 O ATOM 870 OE2 GLU A 60 -0.016 -10.813 -5.289 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.335 -9.164 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.443 -7.893 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.071 -9.336 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.049 -8.750 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.726 -10.450 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.887 -11.249 -4.572 1.00 0.00 H new ATOM 877 N ASP A 61 -4.477 -6.570 -3.702 1.00 0.00 N ATOM 878 CA ASP A 61 -5.234 -5.357 -3.989 1.00 0.00 C ATOM 879 C ASP A 61 -4.605 -4.149 -3.302 1.00 0.00 C ATOM 880 O ASP A 61 -4.470 -3.082 -3.900 1.00 0.00 O ATOM 881 CB ASP A 61 -6.686 -5.517 -3.535 1.00 0.00 C ATOM 882 CG ASP A 61 -7.379 -6.681 -4.216 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.897 -7.119 -5.282 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.404 -7.156 -3.683 1.00 0.00 O ATOM 0 H ASP A 61 -5.018 -7.309 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.214 -5.192 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.712 -5.663 -2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.233 -4.598 -3.746 1.00 0.00 H new ATOM 889 N LEU A 62 -4.219 -4.327 -2.042 1.00 0.00 N ATOM 890 CA LEU A 62 -3.603 -3.253 -1.272 1.00 0.00 C ATOM 891 C LEU A 62 -2.292 -2.807 -1.914 1.00 0.00 C ATOM 892 O LEU A 62 -2.093 -1.623 -2.184 1.00 0.00 O ATOM 893 CB LEU A 62 -3.356 -3.710 0.168 1.00 0.00 C ATOM 894 CG LEU A 62 -2.565 -2.733 1.044 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.033 -1.301 0.823 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.698 -3.115 2.508 1.00 0.00 C ATOM 0 H LEU A 62 -4.322 -5.205 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.286 -2.404 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.320 -3.897 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.824 -4.661 0.143 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.515 -2.792 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.456 -0.628 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.889 -1.028 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.090 -1.220 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.131 -2.413 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.748 -3.084 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.310 -4.122 2.658 1.00 0.00 H new ATOM 908 N ALA A 63 -1.400 -3.764 -2.157 1.00 0.00 N ATOM 909 CA ALA A 63 -0.109 -3.468 -2.768 1.00 0.00 C ATOM 910 C ALA A 63 -0.283 -2.728 -4.091 1.00 0.00 C ATOM 911 O ALA A 63 0.279 -1.651 -4.290 1.00 0.00 O ATOM 912 CB ALA A 63 0.681 -4.751 -2.979 1.00 0.00 C ATOM 0 H ALA A 63 -1.548 -4.750 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 63 0.446 -2.819 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.642 -4.515 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.845 -5.239 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.122 -5.419 -3.634 1.00 0.00 H new ATOM 918 N ARG A 64 -1.070 -3.311 -4.990 1.00 0.00 N ATOM 919 CA ARG A 64 -1.321 -2.704 -6.292 1.00 0.00 C ATOM 920 C ARG A 64 -2.014 -1.355 -6.135 1.00 0.00 C ATOM 921 O ARG A 64 -1.738 -0.413 -6.877 1.00 0.00 O ATOM 922 CB ARG A 64 -2.176 -3.634 -7.155 1.00 0.00 C ATOM 923 CG ARG A 64 -1.952 -3.456 -8.648 1.00 0.00 C ATOM 924 CD ARG A 64 -2.320 -2.052 -9.103 1.00 0.00 C ATOM 925 NE ARG A 64 -2.904 -2.046 -10.442 1.00 0.00 N ATOM 926 CZ ARG A 64 -2.223 -2.331 -11.549 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.935 -2.645 -11.482 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.831 -2.303 -12.727 1.00 0.00 N ATOM 0 H ARG A 64 -1.544 -4.202 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.362 -2.545 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.960 -4.668 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.228 -3.459 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.907 -3.655 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.548 -4.185 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.027 -1.616 -8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.430 -1.423 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.892 -1.809 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.462 -2.669 -10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.418 -2.863 -12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.821 -2.063 -12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.309 -2.521 -13.576 1.00 0.00 H new ATOM 942 N PHE A 65 -2.916 -1.271 -5.162 1.00 0.00 N ATOM 943 CA PHE A 65 -3.650 -0.038 -4.903 1.00 0.00 C ATOM 944 C PHE A 65 -2.693 1.105 -4.583 1.00 0.00 C ATOM 945 O PHE A 65 -2.679 2.125 -5.270 1.00 0.00 O ATOM 946 CB PHE A 65 -4.631 -0.239 -3.746 1.00 0.00 C ATOM 947 CG PHE A 65 -5.423 0.992 -3.406 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.300 1.544 -4.326 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.290 1.597 -2.167 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.029 2.676 -4.016 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.016 2.729 -1.851 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.887 3.270 -2.777 1.00 0.00 C ATOM 0 H PHE A 65 -3.156 -2.043 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.209 0.221 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.320 -1.045 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.078 -0.560 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.415 1.084 -5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.610 1.179 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.709 3.096 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.903 3.191 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.455 4.155 -2.533 1.00 0.00 H new ATOM 962 N ALA A 66 -1.892 0.927 -3.537 1.00 0.00 N ATOM 963 CA ALA A 66 -0.929 1.944 -3.128 1.00 0.00 C ATOM 964 C ALA A 66 0.037 2.272 -4.261 1.00 0.00 C ATOM 965 O ALA A 66 0.197 3.434 -4.641 1.00 0.00 O ATOM 966 CB ALA A 66 -0.164 1.480 -1.897 1.00 0.00 C ATOM 0 H ALA A 66 -1.891 0.088 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.479 2.852 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.551 2.248 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.863 1.302 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.369 0.557 -2.126 1.00 0.00 H new ATOM 972 N VAL A 67 0.677 1.238 -4.802 1.00 0.00 N ATOM 973 CA VAL A 67 1.625 1.414 -5.896 1.00 0.00 C ATOM 974 C VAL A 67 1.007 2.231 -7.026 1.00 0.00 C ATOM 975 O VAL A 67 1.594 3.207 -7.494 1.00 0.00 O ATOM 976 CB VAL A 67 2.099 0.057 -6.454 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.127 0.259 -7.558 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.667 -0.810 -5.341 1.00 0.00 C ATOM 0 H VAL A 67 0.556 0.271 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 67 2.484 1.948 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 67 1.238 -0.457 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.448 -0.711 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.682 0.837 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.988 0.796 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.996 -1.763 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.515 -0.302 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.898 -0.987 -4.589 1.00 0.00 H new ATOM 988 N ARG A 68 -0.184 1.828 -7.453 1.00 0.00 N ATOM 989 CA ARG A 68 -0.887 2.524 -8.523 1.00 0.00 C ATOM 990 C ARG A 68 -1.323 3.914 -8.068 1.00 0.00 C ATOM 991 O ARG A 68 -1.435 4.835 -8.877 1.00 0.00 O ATOM 992 CB ARG A 68 -2.103 1.709 -8.972 1.00 0.00 C ATOM 993 CG ARG A 68 -2.956 2.408 -10.019 1.00 0.00 C ATOM 994 CD ARG A 68 -3.955 1.453 -10.652 1.00 0.00 C ATOM 995 NE ARG A 68 -3.484 0.942 -11.937 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.278 0.386 -12.850 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.581 0.268 -12.623 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.769 -0.052 -13.992 1.00 0.00 N ATOM 0 H ARG A 68 -0.683 1.023 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.206 2.637 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.761 0.755 -9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.721 1.487 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.488 3.241 -9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.313 2.829 -10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.138 0.619 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.907 1.965 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.489 1.015 -12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.978 0.604 -11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.185 -0.159 -13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.769 0.037 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.377 -0.478 -14.691 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.564 4.059 -6.768 1.00 0.00 N ATOM 1013 CA GLU A 69 -1.984 5.338 -6.207 1.00 0.00 C ATOM 1014 C GLU A 69 -0.887 6.384 -6.369 1.00 0.00 C ATOM 1015 O GLU A 69 -1.158 7.536 -6.707 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.340 5.182 -4.727 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.264 6.269 -4.205 1.00 0.00 C ATOM 1018 CD GLU A 69 -2.655 7.654 -4.311 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -1.435 7.785 -4.075 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -3.397 8.606 -4.630 1.00 0.00 O ATOM 0 H GLU A 69 -1.476 3.307 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.868 5.672 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.813 4.212 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.422 5.184 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.200 6.244 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.509 6.063 -3.163 1.00 0.00 H new ATOM 1027 N TYR A 70 0.352 5.974 -6.126 1.00 0.00 N ATOM 1028 CA TYR A 70 1.491 6.878 -6.246 1.00 0.00 C ATOM 1029 C TYR A 70 2.065 6.857 -7.664 1.00 0.00 C ATOM 1030 O TYR A 70 2.771 7.779 -8.072 1.00 0.00 O ATOM 1031 CB TYR A 70 2.572 6.505 -5.222 1.00 0.00 C ATOM 1032 CG TYR A 70 3.631 5.560 -5.750 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.716 6.037 -6.475 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.544 4.193 -5.525 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.684 5.179 -6.960 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.508 3.327 -6.006 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.575 3.825 -6.723 1.00 0.00 C ATOM 1038 OH TYR A 70 6.536 2.966 -7.205 1.00 0.00 O ATOM 0 H TYR A 70 0.594 5.024 -5.845 1.00 0.00 H new ATOM 0 HA TYR A 70 1.146 7.891 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.057 7.417 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.093 6.048 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.804 7.097 -6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.709 3.799 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.521 5.566 -7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.426 2.266 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 70 6.829 2.367 -6.487 1.00 0.00 H new ATOM 1048 N ASN A 71 1.766 5.795 -8.407 1.00 0.00 N ATOM 1049 CA ASN A 71 2.263 5.653 -9.772 1.00 0.00 C ATOM 1050 C ASN A 71 1.367 6.373 -10.778 1.00 0.00 C ATOM 1051 O ASN A 71 1.813 6.732 -11.868 1.00 0.00 O ATOM 1052 CB ASN A 71 2.372 4.173 -10.142 1.00 0.00 C ATOM 1053 CG ASN A 71 3.673 3.555 -9.670 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.691 2.753 -8.736 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.773 3.926 -10.316 1.00 0.00 N ATOM 0 H ASN A 71 1.183 5.021 -8.087 1.00 0.00 H new ATOM 0 HA ASN A 71 3.250 6.113 -9.812 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.535 3.629 -9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.293 4.065 -11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.678 3.543 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.712 4.594 -11.085 1.00 0.00 H new ATOM 1062 N ASN A 72 0.103 6.576 -10.417 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.841 7.246 -11.306 1.00 0.00 C ATOM 1064 C ASN A 72 -0.729 8.765 -11.195 1.00 0.00 C ATOM 1065 O ASN A 72 -0.887 9.481 -12.184 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.275 6.793 -11.002 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.915 7.569 -9.865 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -2.769 7.064 -8.646 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -3.534 8.612 -10.081 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.289 6.288 -9.521 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.591 6.966 -12.330 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.884 6.906 -11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.270 5.732 -10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.622 8.965 -11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.958 9.123 -9.307 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.465 9.252 -9.986 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.343 10.689 -9.750 1.00 0.00 C ATOM 1078 C LYS A 73 0.608 11.341 -10.747 1.00 0.00 C ATOM 1079 O LYS A 73 0.312 12.403 -11.296 1.00 0.00 O ATOM 1080 CB LYS A 73 0.133 10.970 -8.323 1.00 0.00 C ATOM 1081 CG LYS A 73 1.171 9.985 -7.815 1.00 0.00 C ATOM 1082 CD LYS A 73 1.921 10.541 -6.616 1.00 0.00 C ATOM 1083 CE LYS A 73 3.306 9.928 -6.489 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.145 10.649 -5.493 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.332 8.675 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.334 11.122 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.550 11.976 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.727 10.954 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.684 9.050 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.877 9.754 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.009 11.623 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.351 10.346 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.214 8.882 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.801 9.945 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.081 10.199 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.255 11.641 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.686 10.611 -4.560 1.00 0.00 H new ATOM 1098 N ASN A 74 1.755 10.709 -10.972 1.00 0.00 N ATOM 1099 CA ASN A 74 2.744 11.242 -11.892 1.00 0.00 C ATOM 1100 C ASN A 74 3.938 10.299 -12.041 1.00 0.00 C ATOM 1101 O ASN A 74 4.547 10.222 -13.108 1.00 0.00 O ATOM 1102 CB ASN A 74 3.210 12.612 -11.407 1.00 0.00 C ATOM 1103 CG ASN A 74 3.405 12.667 -9.902 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.450 12.011 -9.413 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 2.622 13.294 -9.188 1.00 0.00 N flip ATOM 0 H ASN A 74 2.019 9.829 -10.529 1.00 0.00 H new ATOM 0 HA ASN A 74 2.279 11.341 -12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.148 12.867 -11.900 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.479 13.365 -11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.831 13.784 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.764 13.323 -8.178 1.00 0.00 H new ATOM 1112 N ASN A 75 4.271 9.587 -10.967 1.00 0.00 N ATOM 1113 CA ASN A 75 5.396 8.654 -10.984 1.00 0.00 C ATOM 1114 C ASN A 75 5.322 7.721 -12.192 1.00 0.00 C ATOM 1115 O ASN A 75 4.338 7.724 -12.932 1.00 0.00 O ATOM 1116 CB ASN A 75 5.425 7.835 -9.692 1.00 0.00 C ATOM 1117 CG ASN A 75 6.812 7.762 -9.085 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.247 8.679 -8.389 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.516 6.667 -9.348 1.00 0.00 N ATOM 0 H ASN A 75 3.779 9.638 -10.075 1.00 0.00 H new ATOM 0 HA ASN A 75 6.314 9.237 -11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.738 8.276 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.067 6.826 -9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.457 6.562 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.116 5.931 -9.930 1.00 0.00 H new ATOM 1126 N ALA A 76 6.370 6.927 -12.384 1.00 0.00 N ATOM 1127 CA ALA A 76 6.427 5.991 -13.501 1.00 0.00 C ATOM 1128 C ALA A 76 5.280 4.989 -13.440 1.00 0.00 C ATOM 1129 O ALA A 76 4.375 5.114 -12.614 1.00 0.00 O ATOM 1130 CB ALA A 76 7.764 5.266 -13.512 1.00 0.00 C ATOM 0 H ALA A 76 7.192 6.913 -11.780 1.00 0.00 H new ATOM 0 HA ALA A 76 6.326 6.560 -14.425 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.794 4.570 -14.351 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.571 5.992 -13.614 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.887 4.715 -12.579 1.00 0.00 H new ATOM 1136 N LEU A 77 5.325 3.993 -14.319 1.00 0.00 N ATOM 1137 CA LEU A 77 4.290 2.966 -14.367 1.00 0.00 C ATOM 1138 C LEU A 77 4.898 1.575 -14.213 1.00 0.00 C ATOM 1139 O LEU A 77 5.236 0.921 -15.200 1.00 0.00 O ATOM 1140 CB LEU A 77 3.511 3.059 -15.682 1.00 0.00 C ATOM 1141 CG LEU A 77 1.999 3.226 -15.528 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.421 2.102 -14.682 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.673 4.579 -14.913 1.00 0.00 C ATOM 0 H LEU A 77 6.068 3.875 -15.008 1.00 0.00 H new ATOM 0 HA LEU A 77 3.604 3.134 -13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.897 3.901 -16.257 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.704 2.159 -16.266 1.00 0.00 H new ATOM 0 HG LEU A 77 1.545 3.179 -16.518 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.344 2.238 -14.583 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.624 1.144 -15.162 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.881 2.117 -13.694 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.593 4.681 -14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.139 4.654 -13.931 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.053 5.372 -15.557 1.00 0.00 H new ATOM 1155 N LEU A 78 5.033 1.129 -12.969 1.00 0.00 N ATOM 1156 CA LEU A 78 5.600 -0.185 -12.683 1.00 0.00 C ATOM 1157 C LEU A 78 4.514 -1.154 -12.225 1.00 0.00 C ATOM 1158 O LEU A 78 3.333 -0.809 -12.201 1.00 0.00 O ATOM 1159 CB LEU A 78 6.689 -0.073 -11.613 1.00 0.00 C ATOM 1160 CG LEU A 78 6.440 0.989 -10.540 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.160 0.687 -9.778 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.624 1.074 -9.588 1.00 0.00 C ATOM 0 H LEU A 78 4.758 1.658 -12.142 1.00 0.00 H new ATOM 0 HA LEU A 78 6.044 -0.572 -13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.798 -1.042 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.638 0.145 -12.104 1.00 0.00 H new ATOM 0 HG LEU A 78 6.326 1.955 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.999 1.453 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.318 0.679 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.244 -0.288 -9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.429 1.834 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.771 0.109 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.522 1.340 -10.146 1.00 0.00 H new ATOM 1174 N GLU A 79 4.919 -2.368 -11.864 1.00 0.00 N ATOM 1175 CA GLU A 79 3.974 -3.382 -11.410 1.00 0.00 C ATOM 1176 C GLU A 79 4.531 -4.161 -10.223 1.00 0.00 C ATOM 1177 O GLU A 79 5.685 -4.589 -10.234 1.00 0.00 O ATOM 1178 CB GLU A 79 3.639 -4.343 -12.552 1.00 0.00 C ATOM 1179 CG GLU A 79 2.709 -3.746 -13.596 1.00 0.00 C ATOM 1180 CD GLU A 79 3.459 -3.134 -14.763 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.310 -3.831 -15.353 1.00 0.00 O ATOM 1182 OE2 GLU A 79 3.194 -1.957 -15.086 1.00 0.00 O1- ATOM 0 H GLU A 79 5.892 -2.673 -11.877 1.00 0.00 H new ATOM 0 HA GLU A 79 3.064 -2.874 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.564 -4.654 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.179 -5.240 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.039 -4.522 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.086 -2.983 -13.129 1.00 0.00 H new ATOM 1189 N PHE A 80 3.701 -4.343 -9.201 1.00 0.00 N ATOM 1190 CA PHE A 80 4.107 -5.073 -8.006 1.00 0.00 C ATOM 1191 C PHE A 80 3.988 -6.581 -8.227 1.00 0.00 C ATOM 1192 O PHE A 80 3.133 -7.040 -8.985 1.00 0.00 O ATOM 1193 CB PHE A 80 3.262 -4.632 -6.801 1.00 0.00 C ATOM 1194 CG PHE A 80 2.119 -5.556 -6.477 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.944 -5.511 -7.209 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.227 -6.472 -5.443 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.103 -6.364 -6.916 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.182 -7.326 -5.144 1.00 0.00 C ATOM 1199 CZ PHE A 80 0.016 -7.272 -5.883 1.00 0.00 C ATOM 0 H PHE A 80 2.743 -3.995 -9.177 1.00 0.00 H new ATOM 0 HA PHE A 80 5.152 -4.844 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.909 -4.553 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.865 -3.636 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.845 -4.802 -8.017 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.138 -6.519 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.014 -6.320 -7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.277 -8.034 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.801 -7.939 -5.653 1.00 0.00 H new ATOM 1209 N VAL A 81 4.846 -7.345 -7.560 1.00 0.00 N ATOM 1210 CA VAL A 81 4.829 -8.797 -7.687 1.00 0.00 C ATOM 1211 C VAL A 81 4.196 -9.446 -6.461 1.00 0.00 C ATOM 1212 O VAL A 81 3.492 -10.449 -6.574 1.00 0.00 O ATOM 1213 CB VAL A 81 6.247 -9.365 -7.884 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.763 -9.042 -9.278 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.194 -8.830 -6.821 1.00 0.00 C ATOM 0 H VAL A 81 5.560 -6.984 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 81 4.232 -9.030 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 81 6.199 -10.449 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.766 -9.451 -9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.100 -9.482 -10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.794 -7.961 -9.413 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.190 -9.244 -6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.238 -7.743 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.833 -9.119 -5.834 1.00 0.00 H new ATOM 1225 N ARG A 82 4.448 -8.864 -5.292 1.00 0.00 N ATOM 1226 CA ARG A 82 3.902 -9.382 -4.040 1.00 0.00 C ATOM 1227 C ARG A 82 4.424 -8.586 -2.849 1.00 0.00 C ATOM 1228 O ARG A 82 5.401 -7.847 -2.964 1.00 0.00 O ATOM 1229 CB ARG A 82 4.257 -10.856 -3.869 1.00 0.00 C ATOM 1230 CG ARG A 82 5.741 -11.121 -3.979 1.00 0.00 C ATOM 1231 CD ARG A 82 6.028 -12.567 -4.349 1.00 0.00 C ATOM 1232 NE ARG A 82 7.303 -12.711 -5.049 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.809 -13.880 -5.434 1.00 0.00 C ATOM 1234 NH1 ARG A 82 7.153 -15.008 -5.190 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.975 -13.922 -6.065 1.00 0.00 N ATOM 0 H ARG A 82 5.028 -8.032 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 82 2.818 -9.280 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.903 -11.199 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.732 -11.441 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.174 -10.460 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.224 -10.885 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.040 -13.177 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.224 -12.946 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 82 7.836 -11.866 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.256 -14.982 -4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.546 -15.901 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.483 -13.058 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.363 -14.818 -6.360 1.00 0.00 H new ATOM 1249 N VAL A 83 3.766 -8.742 -1.704 1.00 0.00 N ATOM 1250 CA VAL A 83 4.165 -8.038 -0.494 1.00 0.00 C ATOM 1251 C VAL A 83 5.177 -8.849 0.311 1.00 0.00 C ATOM 1252 O VAL A 83 5.079 -10.073 0.397 1.00 0.00 O ATOM 1253 CB VAL A 83 2.945 -7.716 0.396 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.839 -7.068 -0.425 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.434 -8.970 1.094 1.00 0.00 C ATOM 0 H VAL A 83 2.955 -9.350 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 83 4.630 -7.104 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 83 3.262 -7.009 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.988 -6.849 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.208 -6.142 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.528 -7.749 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.575 -8.716 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.138 -9.707 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.224 -9.385 1.720 1.00 0.00 H new ATOM 1265 N VAL A 84 6.147 -8.158 0.900 1.00 0.00 N ATOM 1266 CA VAL A 84 7.175 -8.812 1.700 1.00 0.00 C ATOM 1267 C VAL A 84 7.119 -8.363 3.161 1.00 0.00 C ATOM 1268 O VAL A 84 7.714 -8.996 4.033 1.00 0.00 O ATOM 1269 CB VAL A 84 8.584 -8.532 1.139 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.881 -7.039 1.147 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.637 -9.299 1.925 1.00 0.00 C ATOM 0 H VAL A 84 6.243 -7.144 0.838 1.00 0.00 H new ATOM 0 HA VAL A 84 6.976 -9.883 1.651 1.00 0.00 H new ATOM 0 HB VAL A 84 8.615 -8.876 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.880 -6.865 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.148 -6.519 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.828 -6.663 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.624 -9.088 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.606 -8.992 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.436 -10.368 1.855 1.00 0.00 H new ATOM 1281 N LYS A 85 6.402 -7.272 3.426 1.00 0.00 N ATOM 1282 CA LYS A 85 6.280 -6.754 4.786 1.00 0.00 C ATOM 1283 C LYS A 85 4.921 -6.097 5.001 1.00 0.00 C ATOM 1284 O LYS A 85 4.278 -5.651 4.051 1.00 0.00 O ATOM 1285 CB LYS A 85 7.394 -5.746 5.077 1.00 0.00 C ATOM 1286 CG LYS A 85 8.736 -6.124 4.472 1.00 0.00 C ATOM 1287 CD LYS A 85 9.861 -5.269 5.033 1.00 0.00 C ATOM 1288 CE LYS A 85 11.202 -5.643 4.423 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.305 -5.574 5.421 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.900 -6.733 2.721 1.00 0.00 H new ATOM 0 HA LYS A 85 6.371 -7.595 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.096 -4.769 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.508 -5.646 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.943 -7.176 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.694 -6.007 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.652 -4.217 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.906 -5.390 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.146 -6.652 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.422 -4.973 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.202 -5.836 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.376 -4.606 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.108 -6.232 6.202 1.00 0.00 H new ATOM 1303 N ALA A 86 4.492 -6.039 6.258 1.00 0.00 N ATOM 1304 CA ALA A 86 3.211 -5.435 6.602 1.00 0.00 C ATOM 1305 C ALA A 86 3.159 -5.061 8.080 1.00 0.00 C ATOM 1306 O ALA A 86 3.325 -5.913 8.952 1.00 0.00 O ATOM 1307 CB ALA A 86 2.072 -6.381 6.256 1.00 0.00 C ATOM 0 H ALA A 86 5.014 -6.403 7.055 1.00 0.00 H new ATOM 0 HA ALA A 86 3.100 -4.521 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.121 -5.917 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.089 -6.595 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.188 -7.310 6.814 1.00 0.00 H new ATOM 1313 N LYS A 87 2.929 -3.781 8.354 1.00 0.00 N ATOM 1314 CA LYS A 87 2.856 -3.293 9.727 1.00 0.00 C ATOM 1315 C LYS A 87 1.625 -2.415 9.927 1.00 0.00 C ATOM 1316 O LYS A 87 1.143 -1.781 8.989 1.00 0.00 O ATOM 1317 CB LYS A 87 4.120 -2.507 10.080 1.00 0.00 C ATOM 1318 CG LYS A 87 5.390 -3.341 10.025 1.00 0.00 C ATOM 1319 CD LYS A 87 6.107 -3.177 8.694 1.00 0.00 C ATOM 1320 CE LYS A 87 7.264 -4.154 8.560 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.451 -3.524 7.918 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.790 -3.063 7.643 1.00 0.00 H new ATOM 0 HA LYS A 87 2.777 -4.156 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.218 -1.665 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.011 -2.091 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.055 -3.047 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.144 -4.391 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.401 -3.333 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.479 -2.156 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.540 -4.527 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.946 -5.014 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.218 -4.223 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.195 -3.190 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.770 -2.719 8.493 1.00 0.00 H new ATOM 1335 N GLU A 88 1.120 -2.384 11.157 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.057 -1.584 11.479 1.00 0.00 C ATOM 1337 C GLU A 88 0.312 -0.412 12.384 1.00 0.00 C ATOM 1338 O GLU A 88 1.032 -0.576 13.368 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.118 -2.451 12.158 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.333 -3.794 11.478 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.774 -3.652 10.034 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.097 -2.928 9.275 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -2.797 -4.265 9.663 1.00 0.00 O1- ATOM 0 H GLU A 88 1.507 -2.903 11.946 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.462 -1.188 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.828 -2.621 13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.062 -1.907 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.408 -4.369 11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.084 -4.360 12.029 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.189 0.772 12.042 1.00 0.00 N ATOM 1351 CA GLN A 89 0.085 1.973 12.823 1.00 0.00 C ATOM 1352 C GLN A 89 -1.204 2.729 13.126 1.00 0.00 C ATOM 1353 O GLN A 89 -2.193 2.604 12.404 1.00 0.00 O ATOM 1354 CB GLN A 89 1.061 2.884 12.074 1.00 0.00 C ATOM 1355 CG GLN A 89 2.181 2.132 11.372 1.00 0.00 C ATOM 1356 CD GLN A 89 3.547 2.730 11.646 1.00 0.00 C ATOM 1357 OE1 GLN A 89 4.552 1.872 11.777 1.00 0.00 O flip ATOM 1358 NE2 GLN A 89 3.698 3.949 11.737 1.00 0.00 N flip ATOM 0 H GLN A 89 -0.786 0.925 11.230 1.00 0.00 H new ATOM 0 HA GLN A 89 0.537 1.667 13.767 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.508 3.466 11.337 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.497 3.593 12.778 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.173 1.091 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.997 2.134 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.897 4.572 11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.624 4.336 11.920 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.187 3.514 14.199 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.357 4.289 14.597 1.00 0.00 C ATOM 1369 C VAL A 90 -2.041 5.780 14.646 1.00 0.00 C ATOM 1370 O VAL A 90 -1.201 6.222 15.430 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.885 3.843 15.973 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.214 4.515 16.279 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.019 2.329 16.028 1.00 0.00 C ATOM 0 H VAL A 90 -0.377 3.630 14.808 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.125 4.108 13.845 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.167 4.149 16.734 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.571 4.187 17.255 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.082 5.597 16.285 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.943 4.243 15.516 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.393 2.032 17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.715 1.997 15.258 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.045 1.871 15.858 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.723 6.551 13.805 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.521 7.994 13.750 1.00 0.00 C ATOM 1385 C VAL A 91 -3.708 8.686 13.088 1.00 0.00 C ATOM 1386 O VAL A 91 -3.843 8.674 11.865 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.236 8.356 12.981 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.009 8.113 13.846 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.148 7.567 11.683 1.00 0.00 C ATOM 0 H VAL A 91 -3.422 6.199 13.151 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.426 8.340 14.779 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.272 9.416 12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.889 8.374 13.286 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.069 8.729 14.743 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.034 7.061 14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.234 7.837 11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.137 6.500 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.010 7.798 11.058 1.00 0.00 H new ATOM 1399 N SER A 92 -4.569 9.285 13.905 1.00 0.00 N ATOM 1400 CA SER A 92 -5.747 9.979 13.397 1.00 0.00 C ATOM 1401 C SER A 92 -6.650 9.020 12.625 1.00 0.00 C ATOM 1402 O SER A 92 -7.396 9.432 11.737 1.00 0.00 O ATOM 1403 CB SER A 92 -5.331 11.143 12.496 1.00 0.00 C ATOM 1404 OG SER A 92 -4.408 11.993 13.154 1.00 0.00 O ATOM 0 H SER A 92 -4.473 9.304 14.920 1.00 0.00 H new ATOM 0 HA SER A 92 -6.304 10.370 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.885 10.756 11.580 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.212 11.714 12.205 1.00 0.00 H new ATOM 0 HG SER A 92 -4.157 12.728 12.556 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.573 7.738 12.969 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.383 6.739 12.300 1.00 0.00 C ATOM 1412 C GLY A 93 -6.689 5.393 12.231 1.00 0.00 C ATOM 1413 O GLY A 93 -6.482 4.741 13.254 1.00 0.00 O ATOM 0 H GLY A 93 -5.963 7.374 13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.331 6.631 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.616 7.078 11.291 1.00 0.00 H new ATOM 1417 N MET A 94 -6.327 4.978 11.023 1.00 0.00 N ATOM 1418 CA MET A 94 -5.649 3.703 10.825 1.00 0.00 C ATOM 1419 C MET A 94 -4.677 3.780 9.651 1.00 0.00 C ATOM 1420 O MET A 94 -5.088 3.950 8.503 1.00 0.00 O ATOM 1421 CB MET A 94 -6.670 2.590 10.585 1.00 0.00 C ATOM 1422 CG MET A 94 -7.489 2.240 11.817 1.00 0.00 C ATOM 1423 SD MET A 94 -6.562 1.256 13.010 1.00 0.00 S ATOM 1424 CE MET A 94 -6.686 2.287 14.469 1.00 0.00 C ATOM 0 H MET A 94 -6.492 5.506 10.166 1.00 0.00 H new ATOM 0 HA MET A 94 -5.082 3.477 11.728 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.345 2.894 9.785 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.148 1.697 10.240 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.829 3.158 12.295 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.380 1.690 11.512 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.808 1.657 15.350 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.779 2.883 14.572 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.546 2.949 14.374 1.00 0.00 H new ATOM 1434 N MET A 95 -3.388 3.648 9.947 1.00 0.00 N ATOM 1435 CA MET A 95 -2.358 3.699 8.916 1.00 0.00 C ATOM 1436 C MET A 95 -1.681 2.340 8.765 1.00 0.00 C ATOM 1437 O MET A 95 -1.237 1.745 9.747 1.00 0.00 O ATOM 1438 CB MET A 95 -1.318 4.770 9.253 1.00 0.00 C ATOM 1439 CG MET A 95 -0.955 5.657 8.072 1.00 0.00 C ATOM 1440 SD MET A 95 -0.001 7.107 8.558 1.00 0.00 S ATOM 1441 CE MET A 95 -1.265 8.376 8.516 1.00 0.00 C ATOM 0 H MET A 95 -3.032 3.505 10.892 1.00 0.00 H new ATOM 0 HA MET A 95 -2.834 3.957 7.970 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.699 5.394 10.062 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.415 4.284 9.623 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.382 5.076 7.349 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.868 5.979 7.571 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.876 9.292 8.961 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.553 8.569 7.483 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.136 8.041 9.079 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.612 1.850 7.531 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.996 0.557 7.257 1.00 0.00 C ATOM 1453 C HIS A 96 0.297 0.718 6.464 1.00 0.00 C ATOM 1454 O HIS A 96 0.288 1.196 5.330 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.969 -0.339 6.489 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.479 -1.743 6.312 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -0.326 -2.218 6.901 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.993 -2.778 5.607 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -0.152 -3.484 6.564 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.150 -3.848 5.781 1.00 0.00 N ATOM 0 H HIS A 96 -1.975 2.328 6.706 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.754 0.091 8.212 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.923 -0.360 7.015 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.155 0.098 5.508 1.00 0.00 H new ATOM 0 HD1 HIS A 96 0.295 -1.677 7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.898 -2.765 5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.668 -4.114 6.876 1.00 0.00 H new ATOM 1469 N TYR A 97 1.408 0.307 7.068 1.00 0.00 N ATOM 1470 CA TYR A 97 2.711 0.395 6.419 1.00 0.00 C ATOM 1471 C TYR A 97 3.146 -0.975 5.910 1.00 0.00 C ATOM 1472 O TYR A 97 3.651 -1.799 6.672 1.00 0.00 O ATOM 1473 CB TYR A 97 3.755 0.947 7.392 1.00 0.00 C ATOM 1474 CG TYR A 97 3.641 2.437 7.623 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.436 3.010 8.010 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.739 3.271 7.453 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.328 4.371 8.222 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.639 4.633 7.663 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.432 5.178 8.047 1.00 0.00 C ATOM 1480 OH TYR A 97 3.329 6.534 8.257 1.00 0.00 O ATOM 0 H TYR A 97 1.431 -0.091 8.007 1.00 0.00 H new ATOM 0 HA TYR A 97 2.627 1.074 5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.657 0.431 8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.751 0.723 7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.569 2.381 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.686 2.848 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.384 4.800 8.523 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.502 5.268 7.527 1.00 0.00 H new ATOM 0 HH TYR A 97 2.385 6.779 8.354 1.00 0.00 H new ATOM 1490 N LEU A 98 2.937 -1.216 4.620 1.00 0.00 N ATOM 1491 CA LEU A 98 3.298 -2.493 4.014 1.00 0.00 C ATOM 1492 C LEU A 98 4.342 -2.311 2.918 1.00 0.00 C ATOM 1493 O LEU A 98 4.296 -1.348 2.153 1.00 0.00 O ATOM 1494 CB LEU A 98 2.056 -3.172 3.436 1.00 0.00 C ATOM 1495 CG LEU A 98 1.429 -2.455 2.237 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.141 -3.439 1.113 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.157 -1.731 2.654 1.00 0.00 C ATOM 0 H LEU A 98 2.520 -0.545 3.975 1.00 0.00 H new ATOM 0 HA LEU A 98 3.727 -3.123 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.320 -4.186 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.307 -3.257 4.223 1.00 0.00 H new ATOM 0 HG LEU A 98 2.141 -1.716 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.696 -2.909 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.071 -3.910 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.450 -4.204 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.275 -1.227 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.559 -2.452 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.393 -0.995 3.423 1.00 0.00 H new ATOM 1509 N THR A 99 5.280 -3.250 2.844 1.00 0.00 N ATOM 1510 CA THR A 99 6.331 -3.203 1.837 1.00 0.00 C ATOM 1511 C THR A 99 6.146 -4.326 0.823 1.00 0.00 C ATOM 1512 O THR A 99 5.877 -5.467 1.193 1.00 0.00 O ATOM 1513 CB THR A 99 7.706 -3.318 2.497 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.675 -2.799 3.815 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.795 -2.589 1.741 1.00 0.00 C ATOM 0 H THR A 99 5.333 -4.053 3.471 1.00 0.00 H new ATOM 0 HA THR A 99 6.268 -2.246 1.318 1.00 0.00 H new ATOM 0 HB THR A 99 7.938 -4.383 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.557 -2.438 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.744 -2.711 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.878 -3.001 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.548 -1.529 1.679 1.00 0.00 H new ATOM 1523 N VAL A 100 6.286 -3.997 -0.457 1.00 0.00 N ATOM 1524 CA VAL A 100 6.127 -4.987 -1.514 1.00 0.00 C ATOM 1525 C VAL A 100 7.205 -4.832 -2.585 1.00 0.00 C ATOM 1526 O VAL A 100 7.808 -3.768 -2.723 1.00 0.00 O ATOM 1527 CB VAL A 100 4.730 -4.891 -2.170 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.650 -4.744 -1.108 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.664 -3.737 -3.163 1.00 0.00 C ATOM 0 H VAL A 100 6.508 -3.057 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 100 6.230 -5.967 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 100 4.554 -5.816 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.674 -4.678 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.671 -5.610 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.831 -3.839 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.670 -3.696 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.870 -2.800 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.406 -3.889 -3.947 1.00 0.00 H new ATOM 1539 N GLU A 101 7.435 -5.898 -3.343 1.00 0.00 N ATOM 1540 CA GLU A 101 8.434 -5.876 -4.405 1.00 0.00 C ATOM 1541 C GLU A 101 7.809 -5.409 -5.714 1.00 0.00 C ATOM 1542 O GLU A 101 6.754 -5.897 -6.118 1.00 0.00 O ATOM 1543 CB GLU A 101 9.056 -7.262 -4.582 1.00 0.00 C ATOM 1544 CG GLU A 101 10.088 -7.605 -3.520 1.00 0.00 C ATOM 1545 CD GLU A 101 10.346 -9.095 -3.417 1.00 0.00 C ATOM 1546 OE1 GLU A 101 11.139 -9.618 -4.229 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 9.754 -9.740 -2.526 1.00 0.00 O ATOM 0 H GLU A 101 6.944 -6.787 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 101 9.220 -5.175 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.265 -8.011 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.525 -7.318 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.023 -7.093 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.748 -7.231 -2.554 1.00 0.00 H new ATOM 1554 N VAL A 102 8.460 -4.453 -6.368 1.00 0.00 N ATOM 1555 CA VAL A 102 7.958 -3.913 -7.625 1.00 0.00 C ATOM 1556 C VAL A 102 8.948 -4.132 -8.763 1.00 0.00 C ATOM 1557 O VAL A 102 10.160 -4.174 -8.549 1.00 0.00 O ATOM 1558 CB VAL A 102 7.658 -2.408 -7.505 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.942 -1.904 -8.748 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.836 -2.125 -6.256 1.00 0.00 C ATOM 0 H VAL A 102 9.335 -4.037 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 102 7.035 -4.448 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 102 8.604 -1.874 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.739 -0.838 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.571 -2.070 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.002 -2.442 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.634 -1.056 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.894 -2.670 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.391 -2.446 -5.375 1.00 0.00 H new ATOM 1570 N ASN A 103 8.419 -4.267 -9.976 1.00 0.00 N ATOM 1571 CA ASN A 103 9.247 -4.477 -11.157 1.00 0.00 C ATOM 1572 C ASN A 103 8.930 -3.439 -12.228 1.00 0.00 C ATOM 1573 O ASN A 103 7.785 -3.006 -12.365 1.00 0.00 O ATOM 1574 CB ASN A 103 9.032 -5.886 -11.713 1.00 0.00 C ATOM 1575 CG ASN A 103 9.937 -6.186 -12.892 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.629 -5.835 -14.031 1.00 0.00 O ATOM 1577 ND2 ASN A 103 11.061 -6.840 -12.623 1.00 0.00 N ATOM 0 H ASN A 103 7.417 -4.234 -10.166 1.00 0.00 H new ATOM 0 HA ASN A 103 10.292 -4.367 -10.866 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.213 -6.616 -10.924 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.992 -5.998 -12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.709 -7.071 -13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.276 -7.111 -11.664 1.00 0.00 H new ATOM 1584 N ASP A 104 9.948 -3.041 -12.984 1.00 0.00 N ATOM 1585 CA ASP A 104 9.772 -2.051 -14.041 1.00 0.00 C ATOM 1586 C ASP A 104 10.789 -2.255 -15.159 1.00 0.00 C ATOM 1587 O ASP A 104 11.986 -2.035 -14.971 1.00 0.00 O ATOM 1588 CB ASP A 104 9.904 -0.639 -13.470 1.00 0.00 C ATOM 1589 CG ASP A 104 9.062 0.371 -14.225 1.00 0.00 C ATOM 1590 OD1 ASP A 104 7.995 -0.016 -14.745 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 9.471 1.550 -14.296 1.00 0.00 O ATOM 0 H ASP A 104 10.902 -3.388 -12.885 1.00 0.00 H new ATOM 0 HA ASP A 104 8.773 -2.178 -14.458 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.606 -0.645 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.950 -0.333 -13.503 1.00 0.00 H new ATOM 1596 N ALA A 105 10.304 -2.674 -16.325 1.00 0.00 N ATOM 1597 CA ALA A 105 11.168 -2.905 -17.478 1.00 0.00 C ATOM 1598 C ALA A 105 12.327 -3.833 -17.127 1.00 0.00 C ATOM 1599 O ALA A 105 13.405 -3.745 -17.713 1.00 0.00 O ATOM 1600 CB ALA A 105 11.696 -1.582 -18.013 1.00 0.00 C ATOM 0 H ALA A 105 9.316 -2.861 -16.496 1.00 0.00 H new ATOM 0 HA ALA A 105 10.573 -3.390 -18.251 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.339 -1.768 -18.873 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.859 -0.952 -18.315 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.268 -1.077 -17.235 1.00 0.00 H new ATOM 1606 N GLY A 106 12.096 -4.723 -16.167 1.00 0.00 N ATOM 1607 CA GLY A 106 13.130 -5.653 -15.756 1.00 0.00 C ATOM 1608 C GLY A 106 13.727 -5.300 -14.408 1.00 0.00 C ATOM 1609 O GLY A 106 14.202 -6.174 -13.684 1.00 0.00 O ATOM 0 H GLY A 106 11.212 -4.816 -15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.713 -6.659 -15.713 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.920 -5.668 -16.507 1.00 0.00 H new ATOM 1613 N LYS A 107 13.703 -4.014 -14.070 1.00 0.00 N ATOM 1614 CA LYS A 107 14.246 -3.550 -12.799 1.00 0.00 C ATOM 1615 C LYS A 107 13.396 -4.046 -11.634 1.00 0.00 C ATOM 1616 O LYS A 107 12.268 -3.595 -11.439 1.00 0.00 O ATOM 1617 CB LYS A 107 14.318 -2.022 -12.778 1.00 0.00 C ATOM 1618 CG LYS A 107 15.616 -1.467 -13.341 1.00 0.00 C ATOM 1619 CD LYS A 107 16.620 -1.171 -12.238 1.00 0.00 C ATOM 1620 CE LYS A 107 16.523 0.272 -11.770 1.00 0.00 C ATOM 1621 NZ LYS A 107 17.462 1.160 -12.510 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.314 -3.277 -14.658 1.00 0.00 H new ATOM 0 HA LYS A 107 15.252 -3.955 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.482 -1.619 -13.350 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.199 -1.675 -11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.045 -2.183 -14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.410 -0.555 -13.902 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.445 -1.840 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.629 -1.371 -12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.502 0.630 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.740 0.323 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.365 2.135 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.438 0.834 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.239 1.132 -13.525 1.00 0.00 H new ATOM 1635 N LYS A 108 13.946 -4.979 -10.863 1.00 0.00 N ATOM 1636 CA LYS A 108 13.239 -5.540 -9.717 1.00 0.00 C ATOM 1637 C LYS A 108 13.801 -4.991 -8.410 1.00 0.00 C ATOM 1638 O LYS A 108 15.014 -4.976 -8.203 1.00 0.00 O ATOM 1639 CB LYS A 108 13.342 -7.066 -9.730 1.00 0.00 C ATOM 1640 CG LYS A 108 12.623 -7.736 -8.570 1.00 0.00 C ATOM 1641 CD LYS A 108 11.275 -8.293 -8.996 1.00 0.00 C ATOM 1642 CE LYS A 108 10.270 -8.244 -7.858 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.441 -9.384 -6.916 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.879 -5.363 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 108 12.190 -5.252 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.930 -7.441 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.394 -7.351 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.242 -8.541 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.482 -7.016 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.895 -7.722 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.395 -9.323 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.382 -7.305 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.259 -8.259 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.682 -10.078 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.363 -9.836 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.398 -9.035 -5.937 1.00 0.00 H new ATOM 1657 N LYS A 109 12.912 -4.540 -7.529 1.00 0.00 N ATOM 1658 CA LYS A 109 13.326 -3.992 -6.243 1.00 0.00 C ATOM 1659 C LYS A 109 12.191 -4.057 -5.225 1.00 0.00 C ATOM 1660 O LYS A 109 11.084 -4.497 -5.539 1.00 0.00 O ATOM 1661 CB LYS A 109 13.795 -2.544 -6.410 1.00 0.00 C ATOM 1662 CG LYS A 109 15.305 -2.402 -6.508 1.00 0.00 C ATOM 1663 CD LYS A 109 15.700 -1.302 -7.479 1.00 0.00 C ATOM 1664 CE LYS A 109 16.005 -0.001 -6.754 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.389 0.017 -6.204 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.904 -4.544 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 109 14.153 -4.597 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.340 -2.124 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.437 -1.955 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.715 -2.183 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.740 -3.348 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 109 16.574 -1.615 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.894 -1.140 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.876 0.836 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.290 0.139 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.557 0.921 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.505 -0.766 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 18.073 -0.091 -6.980 1.00 0.00 H new ATOM 1679 N LEU A 110 12.476 -3.615 -4.004 1.00 0.00 N ATOM 1680 CA LEU A 110 11.485 -3.618 -2.934 1.00 0.00 C ATOM 1681 C LEU A 110 11.186 -2.195 -2.473 1.00 0.00 C ATOM 1682 O LEU A 110 12.085 -1.468 -2.051 1.00 0.00 O ATOM 1683 CB LEU A 110 11.981 -4.461 -1.754 1.00 0.00 C ATOM 1684 CG LEU A 110 11.182 -4.310 -0.456 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.692 -4.457 -0.723 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.644 -5.329 0.574 1.00 0.00 C ATOM 0 H LEU A 110 13.388 -3.249 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 110 10.565 -4.057 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.968 -5.510 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.020 -4.199 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 110 11.360 -3.311 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.142 -4.346 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.371 -3.688 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.494 -5.442 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.066 -5.208 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.496 -6.335 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.701 -5.175 0.789 1.00 0.00 H new ATOM 1698 N TYR A 111 9.919 -1.805 -2.558 1.00 0.00 N ATOM 1699 CA TYR A 111 9.504 -0.468 -2.151 1.00 0.00 C ATOM 1700 C TYR A 111 8.451 -0.535 -1.049 1.00 0.00 C ATOM 1701 O TYR A 111 7.607 -1.431 -1.034 1.00 0.00 O ATOM 1702 CB TYR A 111 8.958 0.304 -3.354 1.00 0.00 C ATOM 1703 CG TYR A 111 9.831 0.210 -4.587 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.217 0.154 -4.484 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.267 0.179 -5.857 1.00 0.00 C ATOM 1706 CE1 TYR A 111 12.013 0.069 -5.611 1.00 0.00 C ATOM 1707 CE2 TYR A 111 10.057 0.094 -6.987 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.429 0.040 -6.859 1.00 0.00 C ATOM 1709 OH TYR A 111 12.219 -0.044 -7.983 1.00 0.00 O ATOM 0 H TYR A 111 9.163 -2.395 -2.905 1.00 0.00 H new ATOM 0 HA TYR A 111 10.376 0.054 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.964 -0.072 -3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.844 1.353 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.679 0.177 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.193 0.222 -5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.088 0.026 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.602 0.070 -7.966 1.00 0.00 H new ATOM 0 HH TYR A 111 11.651 -0.055 -8.782 1.00 0.00 H new ATOM 1719 N GLU A 112 8.511 0.420 -0.126 1.00 0.00 N ATOM 1720 CA GLU A 112 7.568 0.474 0.984 1.00 0.00 C ATOM 1721 C GLU A 112 6.409 1.416 0.673 1.00 0.00 C ATOM 1722 O GLU A 112 6.600 2.478 0.078 1.00 0.00 O ATOM 1723 CB GLU A 112 8.278 0.928 2.261 1.00 0.00 C ATOM 1724 CG GLU A 112 7.594 0.463 3.536 1.00 0.00 C ATOM 1725 CD GLU A 112 7.310 1.601 4.497 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.225 1.978 5.259 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 6.172 2.117 4.487 1.00 0.00 O ATOM 0 H GLU A 112 9.204 1.168 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 112 7.167 -0.528 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.302 0.553 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.337 2.016 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.658 -0.034 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.223 -0.277 4.031 1.00 0.00 H new ATOM 1734 N ALA A 113 5.208 1.020 1.081 1.00 0.00 N ATOM 1735 CA ALA A 113 4.015 1.827 0.850 1.00 0.00 C ATOM 1736 C ALA A 113 3.201 1.973 2.130 1.00 0.00 C ATOM 1737 O ALA A 113 2.862 0.982 2.778 1.00 0.00 O ATOM 1738 CB ALA A 113 3.164 1.207 -0.248 1.00 0.00 C ATOM 0 H ALA A 113 5.035 0.144 1.574 1.00 0.00 H new ATOM 0 HA ALA A 113 4.332 2.820 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.277 1.819 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.742 1.154 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.862 0.203 0.049 1.00 0.00 H new ATOM 1744 N LYS A 114 2.885 3.214 2.492 1.00 0.00 N ATOM 1745 CA LYS A 114 2.105 3.476 3.696 1.00 0.00 C ATOM 1746 C LYS A 114 0.768 4.122 3.351 1.00 0.00 C ATOM 1747 O LYS A 114 0.720 5.224 2.806 1.00 0.00 O ATOM 1748 CB LYS A 114 2.885 4.370 4.662 1.00 0.00 C ATOM 1749 CG LYS A 114 3.291 5.700 4.061 1.00 0.00 C ATOM 1750 CD LYS A 114 4.553 6.244 4.711 1.00 0.00 C ATOM 1751 CE LYS A 114 5.775 5.417 4.339 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.890 6.267 3.837 1.00 0.00 N1+ ATOM 0 H LYS A 114 3.156 4.049 1.972 1.00 0.00 H new ATOM 0 HA LYS A 114 1.911 2.520 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.277 4.551 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.779 3.841 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.454 5.582 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.480 6.418 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.705 7.278 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.432 6.249 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.111 4.854 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.502 4.689 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.798 5.795 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.780 6.415 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.872 7.186 4.323 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.316 3.424 3.672 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.658 3.923 3.400 1.00 0.00 C ATOM 1768 C VAL A 115 -2.345 4.373 4.684 1.00 0.00 C ATOM 1769 O VAL A 115 -2.076 3.843 5.762 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.527 2.852 2.714 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -3.851 3.448 2.261 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.784 2.231 1.541 1.00 0.00 C ATOM 0 H VAL A 115 -0.291 2.509 4.122 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.550 4.776 2.730 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.738 2.065 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.451 2.677 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.389 3.839 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.663 4.256 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.414 1.477 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.539 3.006 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.866 1.765 1.898 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.231 5.356 4.563 1.00 0.00 N ATOM 1783 CA TRP A 116 -3.954 5.879 5.717 1.00 0.00 C ATOM 1784 C TRP A 116 -5.461 5.791 5.504 1.00 0.00 C ATOM 1785 O TRP A 116 -5.955 5.990 4.393 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.548 7.330 5.981 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.168 7.908 7.216 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.191 7.350 8.462 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -4.857 9.159 7.324 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -4.850 8.178 9.338 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.269 9.295 8.663 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.164 10.179 6.418 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -5.971 10.409 9.116 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -5.861 11.283 6.869 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.258 11.391 8.208 1.00 0.00 C ATOM 0 H TRP A 116 -3.466 5.806 3.678 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.694 5.271 6.583 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.463 7.385 6.069 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.830 7.940 5.123 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.755 6.397 8.721 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.003 7.992 10.329 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -4.861 10.105 5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.278 10.495 10.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.104 12.076 6.178 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.801 12.267 8.530 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.185 5.491 6.578 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.637 5.376 6.517 1.00 0.00 C ATOM 1808 C GLU A 117 -8.264 5.697 7.870 1.00 0.00 C ATOM 1809 O GLU A 117 -7.935 5.074 8.880 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.039 3.967 6.078 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.538 3.791 5.899 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.175 3.017 7.037 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.619 3.040 8.155 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.229 2.387 6.809 1.00 0.00 O ATOM 0 H GLU A 117 -5.788 5.323 7.503 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.004 6.096 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.539 3.731 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.683 3.249 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.009 4.771 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.729 3.272 4.960 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.165 6.673 7.885 1.00 0.00 N ATOM 1822 CA GLN A 118 -9.834 7.077 9.113 1.00 0.00 C ATOM 1823 C GLN A 118 -11.229 6.465 9.201 1.00 0.00 C ATOM 1824 O GLN A 118 -11.698 5.826 8.259 1.00 0.00 O ATOM 1825 CB GLN A 118 -9.930 8.601 9.188 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.708 9.320 8.639 1.00 0.00 C ATOM 1827 CD GLN A 118 -8.818 9.609 7.155 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.720 10.321 6.715 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -7.897 9.055 6.375 1.00 0.00 N ATOM 0 H GLN A 118 -9.448 7.199 7.058 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.243 6.714 9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.811 8.928 8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.077 8.896 10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.570 10.257 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.821 8.713 8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.167 8.471 6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.920 9.213 5.368 1.00 0.00 H new ATOM 1838 N VAL A 119 -11.887 6.669 10.337 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.230 6.141 10.550 1.00 0.00 C ATOM 1840 C VAL A 119 -14.243 7.271 10.705 1.00 0.00 C ATOM 1841 O VAL A 119 -15.372 7.179 10.222 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.286 5.233 11.795 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -12.918 6.015 13.047 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.663 4.602 11.936 1.00 0.00 C ATOM 0 H VAL A 119 -11.512 7.197 11.125 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.484 5.549 9.671 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.557 4.433 11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.964 5.356 13.914 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.908 6.411 12.945 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.619 6.839 13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.682 3.965 12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.414 5.386 12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.881 4.003 11.052 1.00 0.00 H new ATOM 1854 N TRP A 120 -13.830 8.339 11.381 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.699 9.490 11.601 1.00 0.00 C ATOM 1856 C TRP A 120 -14.687 10.424 10.393 1.00 0.00 C ATOM 1857 O TRP A 120 -15.609 11.217 10.202 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.260 10.253 12.851 1.00 0.00 C ATOM 1859 CG TRP A 120 -12.821 10.666 12.818 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.304 11.793 12.246 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.711 9.955 13.378 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -10.941 11.826 12.417 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.554 10.709 13.109 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.585 8.754 14.082 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.287 10.301 13.519 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.327 8.350 14.488 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.193 9.121 14.206 1.00 0.00 C ATOM 0 H TRP A 120 -12.898 8.431 11.786 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.715 9.123 11.743 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -14.883 11.140 12.964 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.432 9.629 13.728 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -12.882 12.548 11.734 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.319 12.562 12.083 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.454 8.153 14.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.411 10.894 13.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.217 7.424 15.032 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.224 8.778 14.537 1.00 0.00 H new ATOM 1878 N MET A 121 -13.640 10.325 9.579 1.00 0.00 N ATOM 1879 CA MET A 121 -13.513 11.159 8.391 1.00 0.00 C ATOM 1880 C MET A 121 -13.977 10.405 7.149 1.00 0.00 C ATOM 1881 O MET A 121 -14.388 11.010 6.159 1.00 0.00 O ATOM 1882 CB MET A 121 -12.062 11.614 8.214 1.00 0.00 C ATOM 1883 CG MET A 121 -11.850 12.520 7.012 1.00 0.00 C ATOM 1884 SD MET A 121 -11.483 14.223 7.477 1.00 0.00 S ATOM 1885 CE MET A 121 -9.945 14.490 6.599 1.00 0.00 C ATOM 0 H MET A 121 -12.867 9.675 9.722 1.00 0.00 H new ATOM 0 HA MET A 121 -14.147 12.036 8.522 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.742 12.138 9.114 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.424 10.736 8.113 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.032 12.129 6.408 1.00 0.00 H new ATOM 0 HG3 MET A 121 -12.743 12.503 6.388 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.590 15.503 6.788 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.200 13.774 6.945 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.108 14.356 5.530 1.00 0.00 H new ATOM 1895 N ASN A 122 -13.907 9.078 7.210 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.319 8.237 6.094 1.00 0.00 C ATOM 1897 C ASN A 122 -13.453 8.502 4.866 1.00 0.00 C ATOM 1898 O ASN A 122 -13.959 8.618 3.749 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.793 8.478 5.760 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.721 7.600 6.576 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.572 7.647 7.895 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.563 6.889 6.028 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.568 8.563 8.022 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.190 7.196 6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.037 9.525 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -15.958 8.289 4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.643 6.884 5.011 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.181 6.305 6.591 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.146 8.596 5.081 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.208 8.846 3.993 1.00 0.00 C ATOM 1911 C PHE A 123 -10.063 7.838 4.022 1.00 0.00 C ATOM 1912 O PHE A 123 -9.536 7.513 5.086 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.654 10.270 4.087 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.618 10.987 2.767 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -9.937 10.446 1.689 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.264 12.203 2.607 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -9.901 11.104 0.474 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.231 12.865 1.394 1.00 0.00 C ATOM 1919 CZ PHE A 123 -10.549 12.315 0.327 1.00 0.00 C ATOM 0 H PHE A 123 -11.712 8.503 5.999 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.743 8.734 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.263 10.843 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.646 10.233 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.429 9.500 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -11.799 12.638 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.367 10.672 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -11.738 13.812 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 123 -10.522 12.831 -0.621 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.684 7.349 2.846 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.602 6.378 2.734 1.00 0.00 C ATOM 1931 C ARG A 124 -7.796 6.610 1.460 1.00 0.00 C ATOM 1932 O ARG A 124 -8.353 6.658 0.363 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.163 4.954 2.744 1.00 0.00 C ATOM 1934 CG ARG A 124 -8.092 3.877 2.713 1.00 0.00 C ATOM 1935 CD ARG A 124 -7.812 3.404 1.295 1.00 0.00 C ATOM 1936 NE ARG A 124 -8.858 2.511 0.798 1.00 0.00 N ATOM 1937 CZ ARG A 124 -9.869 2.902 0.023 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -9.988 4.173 -0.346 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -10.769 2.017 -0.385 1.00 0.00 N ATOM 0 H ARG A 124 -10.110 7.609 1.957 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.941 6.506 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.775 4.820 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.820 4.826 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.174 4.264 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.409 3.031 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.729 4.267 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.852 2.888 1.268 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.811 1.527 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.301 4.861 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.766 4.461 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.686 1.040 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.544 2.314 -0.978 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.483 6.754 1.611 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.607 6.982 0.467 1.00 0.00 C ATOM 1955 C GLN A 125 -4.152 6.694 0.822 1.00 0.00 C ATOM 1956 O GLN A 125 -3.818 6.467 1.985 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.747 8.423 -0.028 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.282 9.460 0.982 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.220 10.648 1.073 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.151 10.780 0.279 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -5.978 11.520 2.044 1.00 0.00 N ATOM 0 H GLN A 125 -6.004 6.717 2.511 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.907 6.299 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.173 8.540 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.791 8.613 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.197 8.993 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.286 9.808 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.195 11.371 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.575 12.339 2.154 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.290 6.709 -0.190 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.868 6.454 0.010 1.00 0.00 C ATOM 1972 C LEU A 126 -1.181 7.679 0.604 1.00 0.00 C ATOM 1973 O LEU A 126 -1.460 8.811 0.210 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.206 6.070 -1.316 1.00 0.00 C ATOM 1975 CG LEU A 126 0.319 5.940 -1.270 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.776 4.704 -2.032 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.978 7.189 -1.836 1.00 0.00 C ATOM 0 H LEU A 126 -3.552 6.895 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.763 5.625 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.625 5.122 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.468 6.818 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 126 0.622 5.832 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.863 4.630 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.333 3.815 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.460 4.781 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.062 7.079 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.666 7.328 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.679 8.057 -1.248 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.283 7.446 1.555 1.00 0.00 N ATOM 1990 CA GLN A 127 0.440 8.534 2.203 1.00 0.00 C ATOM 1991 C GLN A 127 1.792 8.767 1.537 1.00 0.00 C ATOM 1992 O GLN A 127 2.043 9.839 0.985 1.00 0.00 O ATOM 1993 CB GLN A 127 0.633 8.231 3.692 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.355 8.953 4.596 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.784 8.875 4.090 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.543 9.838 4.190 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.158 7.723 3.544 1.00 0.00 N ATOM 0 H GLN A 127 -0.039 6.515 1.894 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.153 9.442 2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.539 7.157 3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.647 8.508 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.305 8.524 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.062 9.999 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.496 6.950 3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.107 7.612 3.188 1.00 0.00 H new ATOM 2006 N GLU A 128 2.660 7.763 1.592 1.00 0.00 N ATOM 2007 CA GLU A 128 3.986 7.872 0.993 1.00 0.00 C ATOM 2008 C GLU A 128 4.456 6.531 0.437 1.00 0.00 C ATOM 2009 O GLU A 128 3.994 5.469 0.860 1.00 0.00 O ATOM 2010 CB GLU A 128 5.000 8.389 2.018 1.00 0.00 C ATOM 2011 CG GLU A 128 4.429 9.406 2.994 1.00 0.00 C ATOM 2012 CD GLU A 128 4.221 10.768 2.361 1.00 0.00 C ATOM 2013 OE1 GLU A 128 5.043 11.157 1.506 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.235 11.446 2.721 1.00 0.00 O ATOM 0 H GLU A 128 2.471 6.868 2.043 1.00 0.00 H new ATOM 0 HA GLU A 128 3.915 8.582 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.396 7.543 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.839 8.840 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.478 9.040 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.102 9.504 3.846 1.00 0.00 H new ATOM 2021 N PHE A 129 5.384 6.596 -0.513 1.00 0.00 N ATOM 2022 CA PHE A 129 5.937 5.401 -1.137 1.00 0.00 C ATOM 2023 C PHE A 129 7.453 5.516 -1.253 1.00 0.00 C ATOM 2024 O PHE A 129 7.966 6.294 -2.058 1.00 0.00 O ATOM 2025 CB PHE A 129 5.320 5.194 -2.522 1.00 0.00 C ATOM 2026 CG PHE A 129 5.314 3.760 -2.971 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.386 3.236 -3.675 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.234 2.938 -2.691 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.381 1.918 -4.091 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.224 1.619 -3.105 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.299 1.108 -3.805 1.00 0.00 C ATOM 0 H PHE A 129 5.770 7.470 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 129 5.698 4.541 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.296 5.567 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.871 5.791 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.235 3.864 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.391 3.332 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.223 1.521 -4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.376 0.989 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.294 0.077 -4.128 1.00 0.00 H new ATOM 2041 N THR A 130 8.167 4.744 -0.441 1.00 0.00 N ATOM 2042 CA THR A 130 9.626 4.770 -0.451 1.00 0.00 C ATOM 2043 C THR A 130 10.188 3.611 -1.267 1.00 0.00 C ATOM 2044 O THR A 130 9.567 2.554 -1.371 1.00 0.00 O ATOM 2045 CB THR A 130 10.166 4.710 0.979 1.00 0.00 C ATOM 2046 OG1 THR A 130 10.038 3.403 1.510 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.464 5.661 1.924 1.00 0.00 C ATOM 0 H THR A 130 7.761 4.094 0.231 1.00 0.00 H new ATOM 0 HA THR A 130 9.944 5.703 -0.915 1.00 0.00 H new ATOM 0 HB THR A 130 11.213 5.004 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.390 3.385 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.895 5.568 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.588 6.684 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.402 5.417 1.964 1.00 0.00 H new ATOM 2055 N TYR A 131 11.367 3.817 -1.845 1.00 0.00 N ATOM 2056 CA TYR A 131 12.012 2.789 -2.652 1.00 0.00 C ATOM 2057 C TYR A 131 13.228 2.214 -1.933 1.00 0.00 C ATOM 2058 O TYR A 131 14.241 2.894 -1.764 1.00 0.00 O ATOM 2059 CB TYR A 131 12.431 3.363 -4.007 1.00 0.00 C ATOM 2060 CG TYR A 131 13.357 4.554 -3.901 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.855 5.832 -3.689 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.733 4.399 -4.012 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.699 6.922 -3.591 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.583 5.485 -3.915 1.00 0.00 C ATOM 2065 CZ TYR A 131 15.061 6.743 -3.705 1.00 0.00 C ATOM 2066 OH TYR A 131 15.904 7.827 -3.608 1.00 0.00 O ATOM 0 H TYR A 131 11.895 4.687 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 131 11.294 1.985 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.923 2.582 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.538 3.656 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.788 5.976 -3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 131 15.145 3.414 -4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 131 13.293 7.909 -3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.651 5.348 -4.003 1.00 0.00 H new ATOM 0 HH TYR A 131 16.832 7.530 -3.709 1.00 0.00 H new ATOM 2076 N LEU A 132 13.121 0.959 -1.510 1.00 0.00 N ATOM 2077 CA LEU A 132 14.211 0.293 -0.807 1.00 0.00 C ATOM 2078 C LEU A 132 15.122 -0.444 -1.784 1.00 0.00 C ATOM 2079 O LEU A 132 14.980 -0.313 -3.000 1.00 0.00 O ATOM 2080 CB LEU A 132 13.659 -0.690 0.230 1.00 0.00 C ATOM 2081 CG LEU A 132 12.344 -0.272 0.892 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.965 -1.253 1.991 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.452 1.140 1.449 1.00 0.00 C ATOM 0 H LEU A 132 12.290 0.382 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 132 14.796 1.058 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.513 -1.657 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.409 -0.832 1.008 1.00 0.00 H new ATOM 0 HG LEU A 132 11.559 -0.283 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.028 -0.940 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.845 -2.249 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.750 -1.274 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.508 1.420 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.249 1.178 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.676 1.834 0.639 1.00 0.00 H new ATOM 2095 N GLY A 133 16.057 -1.218 -1.243 1.00 0.00 N ATOM 2096 CA GLY A 133 16.979 -1.965 -2.080 1.00 0.00 C ATOM 2097 C GLY A 133 16.598 -3.428 -2.199 1.00 0.00 C ATOM 2098 O GLY A 133 17.114 -4.271 -1.467 1.00 0.00 O ATOM 0 H GLY A 133 16.193 -1.342 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.007 -1.518 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.985 -1.887 -1.667 1.00 0.00 H new ATOM 2102 N ASP A 134 15.689 -3.724 -3.127 1.00 0.00 N ATOM 2103 CA ASP A 134 15.223 -5.092 -3.357 1.00 0.00 C ATOM 2104 C ASP A 134 14.854 -5.788 -2.047 1.00 0.00 C ATOM 2105 O ASP A 134 14.919 -5.192 -0.972 1.00 0.00 O ATOM 2106 CB ASP A 134 16.285 -5.902 -4.109 1.00 0.00 C ATOM 2107 CG ASP A 134 17.503 -6.211 -3.259 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.492 -7.245 -2.559 1.00 0.00 O ATOM 2109 OD2 ASP A 134 18.468 -5.418 -3.294 1.00 0.00 O1- ATOM 0 H ASP A 134 15.257 -3.029 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 134 14.323 -5.035 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.844 -6.836 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.597 -5.349 -4.995 1.00 0.00 H new ATOM 2114 N ALA A 135 14.461 -7.054 -2.149 1.00 0.00 N ATOM 2115 CA ALA A 135 14.078 -7.832 -0.977 1.00 0.00 C ATOM 2116 C ALA A 135 14.916 -9.101 -0.863 1.00 0.00 C ATOM 2117 O ALA A 135 14.938 -9.699 0.233 1.00 0.00 O ATOM 2118 CB ALA A 135 12.598 -8.178 -1.034 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.542 -9.488 -1.873 1.00 0.00 O ATOM 0 H ALA A 135 14.400 -7.562 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 135 14.264 -7.224 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.326 -8.759 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.010 -7.260 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.395 -8.763 -1.931 1.00 0.00 H new