USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 791 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 30 CYS SG : rot 101:sc= -0.44 USER MOD Set 1.2: A 33 CYS SG : rot 81:sc= -3.18 USER MOD Set 2.1: A 4 GLN : amide:sc= -1.13 X(o=-2.1,f=-2.2) USER MOD Set 2.2: A 6 LYS NZ :NH3+ -160:sc= 0.526 (180deg=-0.232) USER MOD Set 2.3: A 26 TYR OH : rot 15:sc= -1.54 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.144 (180deg=-0.588) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0414 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 9 SER OG : rot 29:sc= 0.469 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.974 K(o=-0.97,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0738 (180deg=-0.444) USER MOD Single : A 28 THR OG1 : rot 76:sc= -0.719! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 159:sc= -0.219 (180deg=-0.792) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0182 (180deg=-0.173) USER MOD Single : A 44 SER OG : rot -38:sc= 0.645 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -119:sc= -1.22! USER MOD Single : A 49 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= -0.744 (180deg=-0.785) USER MOD Single : A 65 GLN : amide:sc= -6.04! C(o=-6!,f=-12!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.012) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 93:sc= -6.12! USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= 0.845 (180deg=0.652) USER MOD Single : A 80 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.6) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.216) USER MOD Single : A 91 ASN : amide:sc= -5.42 K(o=-5.4,f=-18!) USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= -0.147 (180deg=-0.54) USER MOD Single : A 97 GLN : amide:sc=-0.00104 X(o=-0.001,f=0) USER MOD Single : A 102 ASN : amide:sc= -5.21! C(o=-5.2!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.146 12.256 3.568 1.00 0.00 N ATOM 2 CA MET A 1 -1.286 11.924 3.351 1.00 0.00 C ATOM 3 C MET A 1 -1.475 10.432 3.094 1.00 0.00 C ATOM 4 O MET A 1 -0.580 9.763 2.574 1.00 0.00 O ATOM 5 CB MET A 1 -1.798 12.732 2.157 1.00 0.00 C ATOM 6 CG MET A 1 -3.264 12.484 1.837 1.00 0.00 C ATOM 7 SD MET A 1 -4.354 12.897 3.214 1.00 0.00 S ATOM 8 CE MET A 1 -3.983 14.636 3.428 1.00 0.00 C ATOM 0 H1 MET A 1 0.383 13.127 3.051 1.00 0.00 H new ATOM 0 H2 MET A 1 0.319 12.398 4.584 1.00 0.00 H new ATOM 0 H3 MET A 1 0.740 11.476 3.221 1.00 0.00 H new ATOM 0 HA MET A 1 -1.851 12.177 4.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.653 13.793 2.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.197 12.489 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.547 13.074 0.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.402 11.436 1.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.787 15.113 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.046 14.744 3.975 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.890 15.111 2.451 1.00 0.00 H new ATOM 20 N VAL A 2 -2.643 9.918 3.461 1.00 0.00 N ATOM 21 CA VAL A 2 -2.952 8.506 3.272 1.00 0.00 C ATOM 22 C VAL A 2 -4.392 8.334 2.792 1.00 0.00 C ATOM 23 O VAL A 2 -5.299 9.005 3.282 1.00 0.00 O ATOM 24 CB VAL A 2 -2.742 7.711 4.578 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.762 8.114 5.632 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.793 6.215 4.315 1.00 0.00 C ATOM 0 H VAL A 2 -3.393 10.459 3.892 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.272 8.116 2.515 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.751 7.952 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.591 7.539 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.659 9.177 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.767 7.915 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.642 5.676 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.765 5.952 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.008 5.943 3.609 1.00 0.00 H new ATOM 36 N THR A 3 -4.599 7.442 1.826 1.00 0.00 N ATOM 37 CA THR A 3 -5.936 7.208 1.287 1.00 0.00 C ATOM 38 C THR A 3 -6.111 5.762 0.830 1.00 0.00 C ATOM 39 O THR A 3 -5.137 5.040 0.630 1.00 0.00 O ATOM 40 CB THR A 3 -6.203 8.160 0.120 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.085 9.509 0.536 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.576 7.990 -0.495 1.00 0.00 C ATOM 0 H THR A 3 -3.865 6.874 1.404 1.00 0.00 H new ATOM 0 HA THR A 3 -6.656 7.397 2.084 1.00 0.00 H new ATOM 0 HB THR A 3 -5.454 7.909 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.258 10.102 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.697 8.696 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.682 6.973 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.339 8.178 0.260 1.00 0.00 H new ATOM 50 N GLN A 4 -7.367 5.354 0.665 1.00 0.00 N ATOM 51 CA GLN A 4 -7.693 3.999 0.225 1.00 0.00 C ATOM 52 C GLN A 4 -8.196 4.019 -1.214 1.00 0.00 C ATOM 53 O GLN A 4 -8.304 5.082 -1.826 1.00 0.00 O ATOM 54 CB GLN A 4 -8.791 3.413 1.113 1.00 0.00 C ATOM 55 CG GLN A 4 -8.565 3.641 2.595 1.00 0.00 C ATOM 56 CD GLN A 4 -9.665 3.047 3.452 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.836 3.399 3.312 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.292 2.141 4.349 1.00 0.00 N ATOM 0 H GLN A 4 -8.181 5.946 0.831 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.791 3.390 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.748 3.851 0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.863 2.342 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.609 3.205 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.498 4.712 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.310 1.879 4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.988 1.708 4.956 1.00 0.00 H new ATOM 67 N PHE A 5 -8.532 2.846 -1.743 1.00 0.00 N ATOM 68 CA PHE A 5 -9.056 2.749 -3.100 1.00 0.00 C ATOM 69 C PHE A 5 -10.344 1.931 -3.120 1.00 0.00 C ATOM 70 O PHE A 5 -10.405 0.838 -2.560 1.00 0.00 O ATOM 71 CB PHE A 5 -8.019 2.141 -4.043 1.00 0.00 C ATOM 72 CG PHE A 5 -6.796 2.997 -4.206 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.913 4.373 -4.335 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.533 2.429 -4.251 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.795 5.165 -4.504 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.412 3.218 -4.418 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.543 4.587 -4.546 1.00 0.00 C ATOM 0 H PHE A 5 -8.451 1.954 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.281 3.757 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.722 1.163 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.475 1.980 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.891 4.830 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.424 1.359 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.900 6.235 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.432 2.764 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.667 5.204 -4.679 1.00 0.00 H new ATOM 87 N LYS A 6 -11.382 2.482 -3.750 1.00 0.00 N ATOM 88 CA LYS A 6 -12.677 1.811 -3.818 1.00 0.00 C ATOM 89 C LYS A 6 -13.010 1.340 -5.233 1.00 0.00 C ATOM 90 O LYS A 6 -13.871 0.481 -5.412 1.00 0.00 O ATOM 91 CB LYS A 6 -13.780 2.739 -3.309 1.00 0.00 C ATOM 92 CG LYS A 6 -13.633 3.108 -1.843 1.00 0.00 C ATOM 93 CD LYS A 6 -13.654 1.875 -0.953 1.00 0.00 C ATOM 94 CE LYS A 6 -13.533 2.246 0.516 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.265 2.970 0.804 1.00 0.00 N ATOM 0 H LYS A 6 -11.350 3.388 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.616 0.928 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.781 3.651 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.747 2.258 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.698 3.649 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.440 3.781 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.580 1.324 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.835 1.211 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.380 2.869 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.581 1.342 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.053 2.909 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.489 2.540 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.366 3.968 0.531 1.00 0.00 H new ATOM 109 N THR A 7 -12.343 1.896 -6.239 1.00 0.00 N ATOM 110 CA THR A 7 -12.609 1.499 -7.617 1.00 0.00 C ATOM 111 C THR A 7 -11.352 1.592 -8.468 1.00 0.00 C ATOM 112 O THR A 7 -10.362 2.205 -8.070 1.00 0.00 O ATOM 113 CB THR A 7 -13.709 2.375 -8.221 1.00 0.00 C ATOM 114 OG1 THR A 7 -14.845 2.407 -7.374 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.174 1.903 -9.582 1.00 0.00 C ATOM 0 H THR A 7 -11.625 2.612 -6.130 1.00 0.00 H new ATOM 0 HA THR A 7 -12.942 0.461 -7.606 1.00 0.00 H new ATOM 0 HB THR A 7 -13.262 3.363 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 7 -15.537 2.973 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.954 2.569 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.333 1.909 -10.276 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.570 0.891 -9.500 1.00 0.00 H new ATOM 123 N ALA A 8 -11.402 0.985 -9.647 1.00 0.00 N ATOM 124 CA ALA A 8 -10.270 1.006 -10.561 1.00 0.00 C ATOM 125 C ALA A 8 -10.286 2.273 -11.397 1.00 0.00 C ATOM 126 O ALA A 8 -11.044 2.394 -12.356 1.00 0.00 O ATOM 127 CB ALA A 8 -10.268 -0.231 -11.446 1.00 0.00 C ATOM 0 H ALA A 8 -12.214 0.473 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.352 0.998 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.413 -0.194 -12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.201 -1.123 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.189 -0.263 -12.028 1.00 0.00 H new ATOM 133 N SER A 9 -9.441 3.212 -10.994 1.00 0.00 N ATOM 134 CA SER A 9 -9.306 4.515 -11.640 1.00 0.00 C ATOM 135 C SER A 9 -8.647 5.485 -10.669 1.00 0.00 C ATOM 136 O SER A 9 -8.009 6.457 -11.074 1.00 0.00 O ATOM 137 CB SER A 9 -10.665 5.072 -12.077 1.00 0.00 C ATOM 138 OG SER A 9 -11.123 4.450 -13.265 1.00 0.00 O ATOM 0 H SER A 9 -8.818 3.090 -10.195 1.00 0.00 H new ATOM 0 HA SER A 9 -8.692 4.393 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.394 4.921 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.585 6.147 -12.236 1.00 0.00 H new ATOM 0 HG SER A 9 -10.762 3.540 -13.318 1.00 0.00 H new ATOM 144 N GLU A 10 -8.805 5.201 -9.377 1.00 0.00 N ATOM 145 CA GLU A 10 -8.229 6.027 -8.333 1.00 0.00 C ATOM 146 C GLU A 10 -6.806 5.582 -8.026 1.00 0.00 C ATOM 147 O GLU A 10 -5.954 6.385 -7.647 1.00 0.00 O ATOM 148 CB GLU A 10 -9.088 5.959 -7.068 1.00 0.00 C ATOM 149 CG GLU A 10 -10.491 6.512 -7.255 1.00 0.00 C ATOM 150 CD GLU A 10 -11.321 6.434 -5.988 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.528 5.312 -5.482 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.763 7.497 -5.503 1.00 0.00 O ATOM 0 H GLU A 10 -9.332 4.398 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.202 7.059 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.156 4.922 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.591 6.513 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.428 7.550 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.993 5.959 -8.049 1.00 0.00 H new ATOM 159 N PHE A 11 -6.563 4.290 -8.200 1.00 0.00 N ATOM 160 CA PHE A 11 -5.256 3.710 -7.952 1.00 0.00 C ATOM 161 C PHE A 11 -4.403 3.747 -9.220 1.00 0.00 C ATOM 162 O PHE A 11 -3.208 4.037 -9.174 1.00 0.00 O ATOM 163 CB PHE A 11 -5.410 2.268 -7.458 1.00 0.00 C ATOM 164 CG PHE A 11 -4.138 1.644 -6.943 1.00 0.00 C ATOM 165 CD1 PHE A 11 -2.955 2.368 -6.885 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.132 0.328 -6.508 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.796 1.790 -6.409 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.974 -0.254 -6.029 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.806 0.478 -5.980 1.00 0.00 C ATOM 0 H PHE A 11 -7.264 3.620 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.753 4.297 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.157 2.247 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.795 1.657 -8.274 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.942 3.396 -7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.044 -0.250 -6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.882 2.364 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.983 -1.281 -5.693 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.900 0.025 -5.606 1.00 0.00 H new ATOM 179 N ASP A 12 -5.031 3.453 -10.354 1.00 0.00 N ATOM 180 CA ASP A 12 -4.340 3.448 -11.642 1.00 0.00 C ATOM 181 C ASP A 12 -3.519 4.722 -11.834 1.00 0.00 C ATOM 182 O ASP A 12 -2.400 4.680 -12.346 1.00 0.00 O ATOM 183 CB ASP A 12 -5.348 3.305 -12.783 1.00 0.00 C ATOM 184 CG ASP A 12 -4.679 3.240 -14.142 1.00 0.00 C ATOM 185 OD1 ASP A 12 -3.981 4.210 -14.507 1.00 0.00 O ATOM 186 OD2 ASP A 12 -4.854 2.221 -14.842 1.00 0.00 O ATOM 0 H ASP A 12 -6.021 3.214 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.659 2.597 -11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.941 2.403 -12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.039 4.148 -12.761 1.00 0.00 H new ATOM 191 N SER A 13 -4.082 5.852 -11.422 1.00 0.00 N ATOM 192 CA SER A 13 -3.403 7.137 -11.551 1.00 0.00 C ATOM 193 C SER A 13 -2.316 7.292 -10.493 1.00 0.00 C ATOM 194 O SER A 13 -1.335 8.009 -10.697 1.00 0.00 O ATOM 195 CB SER A 13 -4.410 8.283 -11.434 1.00 0.00 C ATOM 196 OG SER A 13 -5.400 8.199 -12.444 1.00 0.00 O ATOM 0 H SER A 13 -5.007 5.905 -10.996 1.00 0.00 H new ATOM 0 HA SER A 13 -2.933 7.171 -12.534 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.884 8.255 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.889 9.238 -11.510 1.00 0.00 H new ATOM 0 HG SER A 13 -6.032 8.942 -12.345 1.00 0.00 H new ATOM 202 N ALA A 14 -2.492 6.618 -9.361 1.00 0.00 N ATOM 203 CA ALA A 14 -1.526 6.684 -8.271 1.00 0.00 C ATOM 204 C ALA A 14 -0.138 6.252 -8.732 1.00 0.00 C ATOM 205 O ALA A 14 0.810 7.034 -8.692 1.00 0.00 O ATOM 206 CB ALA A 14 -1.989 5.822 -7.106 1.00 0.00 C ATOM 0 H ALA A 14 -3.296 6.019 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.460 7.721 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.259 5.880 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.954 6.181 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.085 4.787 -7.435 1.00 0.00 H new ATOM 212 N ILE A 15 -0.026 5.000 -9.163 1.00 0.00 N ATOM 213 CA ILE A 15 1.249 4.462 -9.625 1.00 0.00 C ATOM 214 C ILE A 15 1.748 5.190 -10.868 1.00 0.00 C ATOM 215 O ILE A 15 2.908 5.592 -10.932 1.00 0.00 O ATOM 216 CB ILE A 15 1.152 2.947 -9.906 1.00 0.00 C ATOM 217 CG1 ILE A 15 0.088 2.652 -10.968 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.843 2.196 -8.620 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.118 1.173 -11.224 1.00 0.00 C ATOM 0 H ILE A 15 -0.802 4.339 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 15 1.968 4.621 -8.822 1.00 0.00 H new ATOM 0 HB ILE A 15 2.113 2.607 -10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.858 3.094 -10.655 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.373 3.138 -11.901 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.777 1.128 -8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.637 2.375 -7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.106 2.546 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.885 1.039 -11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.817 0.730 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.434 0.685 -10.302 1.00 0.00 H new ATOM 231 N ALA A 16 0.871 5.348 -11.856 1.00 0.00 N ATOM 232 CA ALA A 16 1.222 6.015 -13.111 1.00 0.00 C ATOM 233 C ALA A 16 2.104 7.244 -12.900 1.00 0.00 C ATOM 234 O ALA A 16 1.608 8.345 -12.663 1.00 0.00 O ATOM 235 CB ALA A 16 -0.042 6.400 -13.868 1.00 0.00 C ATOM 0 H ALA A 16 -0.094 5.022 -11.813 1.00 0.00 H new ATOM 0 HA ALA A 16 1.803 5.305 -13.699 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.229 6.896 -14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.621 5.503 -14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.640 7.077 -13.258 1.00 0.00 H new ATOM 241 N GLN A 17 3.420 7.043 -13.000 1.00 0.00 N ATOM 242 CA GLN A 17 4.386 8.127 -12.835 1.00 0.00 C ATOM 243 C GLN A 17 4.036 9.006 -11.641 1.00 0.00 C ATOM 244 O GLN A 17 3.323 9.998 -11.778 1.00 0.00 O ATOM 245 CB GLN A 17 4.451 8.977 -14.106 1.00 0.00 C ATOM 246 CG GLN A 17 4.854 8.188 -15.344 1.00 0.00 C ATOM 247 CD GLN A 17 4.948 9.038 -16.605 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.220 8.519 -17.688 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.734 10.346 -16.480 1.00 0.00 N ATOM 0 H GLN A 17 3.841 6.135 -13.195 1.00 0.00 H new ATOM 0 HA GLN A 17 5.362 7.678 -12.651 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.477 9.435 -14.278 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.162 9.789 -13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.818 7.713 -15.164 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.130 7.389 -15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.511 10.741 -15.567 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.793 10.953 -17.298 1.00 0.00 H new ATOM 258 N ASP A 18 4.543 8.638 -10.471 1.00 0.00 N ATOM 259 CA ASP A 18 4.276 9.404 -9.266 1.00 0.00 C ATOM 260 C ASP A 18 5.141 8.928 -8.103 1.00 0.00 C ATOM 261 O ASP A 18 4.675 8.845 -6.969 1.00 0.00 O ATOM 262 CB ASP A 18 2.792 9.307 -8.898 1.00 0.00 C ATOM 263 CG ASP A 18 2.365 10.360 -7.891 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.901 10.364 -6.763 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.490 11.184 -8.232 1.00 0.00 O ATOM 0 H ASP A 18 5.137 7.820 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 18 4.527 10.446 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.191 9.410 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.587 8.317 -8.490 1.00 0.00 H new ATOM 270 N LYS A 19 6.410 8.624 -8.384 1.00 0.00 N ATOM 271 CA LYS A 19 7.333 8.176 -7.347 1.00 0.00 C ATOM 272 C LYS A 19 6.974 6.770 -6.879 1.00 0.00 C ATOM 273 O LYS A 19 6.439 5.969 -7.646 1.00 0.00 O ATOM 274 CB LYS A 19 7.316 9.197 -6.201 1.00 0.00 C ATOM 275 CG LYS A 19 7.801 10.578 -6.621 1.00 0.00 C ATOM 276 CD LYS A 19 7.513 11.627 -5.559 1.00 0.00 C ATOM 277 CE LYS A 19 7.900 13.018 -6.033 1.00 0.00 C ATOM 278 NZ LYS A 19 7.156 13.413 -7.261 1.00 0.00 N ATOM 0 H LYS A 19 6.818 8.680 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 19 8.347 8.118 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.302 9.278 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.942 8.831 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.873 10.543 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.317 10.864 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.453 11.609 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.062 11.385 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.702 13.740 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.971 13.049 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.206 14.445 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.580 12.948 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.161 13.123 -7.173 1.00 0.00 H new ATOM 292 N LEU A 20 7.291 6.466 -5.635 1.00 0.00 N ATOM 293 CA LEU A 20 7.029 5.147 -5.078 1.00 0.00 C ATOM 294 C LEU A 20 5.733 5.140 -4.278 1.00 0.00 C ATOM 295 O LEU A 20 5.638 5.752 -3.215 1.00 0.00 O ATOM 296 CB LEU A 20 8.186 4.727 -4.172 1.00 0.00 C ATOM 297 CG LEU A 20 8.008 3.377 -3.476 1.00 0.00 C ATOM 298 CD1 LEU A 20 8.184 2.238 -4.465 1.00 0.00 C ATOM 299 CD2 LEU A 20 8.987 3.242 -2.320 1.00 0.00 C ATOM 0 H LEU A 20 7.733 7.117 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 20 6.932 4.443 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.099 4.694 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.328 5.494 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 20 6.995 3.326 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.054 1.286 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.441 2.327 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.184 2.283 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.847 2.276 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.007 3.315 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.809 4.039 -1.598 1.00 0.00 H new ATOM 311 N VAL A 21 4.739 4.435 -4.808 1.00 0.00 N ATOM 312 CA VAL A 21 3.439 4.328 -4.162 1.00 0.00 C ATOM 313 C VAL A 21 3.311 3.007 -3.412 1.00 0.00 C ATOM 314 O VAL A 21 3.290 1.937 -4.020 1.00 0.00 O ATOM 315 CB VAL A 21 2.295 4.438 -5.190 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.940 4.351 -4.501 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.415 5.726 -5.991 1.00 0.00 C ATOM 0 H VAL A 21 4.812 3.927 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 21 3.362 5.154 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 21 2.376 3.600 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.148 4.431 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.856 3.396 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.845 5.164 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.598 5.784 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.365 6.580 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.367 5.737 -6.521 1.00 0.00 H new ATOM 327 N VAL A 22 3.222 3.090 -2.091 1.00 0.00 N ATOM 328 CA VAL A 22 3.091 1.902 -1.260 1.00 0.00 C ATOM 329 C VAL A 22 1.638 1.690 -0.853 1.00 0.00 C ATOM 330 O VAL A 22 1.126 2.370 0.035 1.00 0.00 O ATOM 331 CB VAL A 22 3.965 2.007 0.003 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.899 0.722 0.815 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.402 2.338 -0.374 1.00 0.00 C ATOM 0 H VAL A 22 3.238 3.968 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 22 3.429 1.050 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 22 3.578 2.815 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.524 0.820 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.868 0.534 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.257 -0.110 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.008 2.409 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.800 1.553 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.429 3.290 -0.905 1.00 0.00 H new ATOM 343 N VAL A 23 0.976 0.751 -1.520 1.00 0.00 N ATOM 344 CA VAL A 23 -0.421 0.459 -1.238 1.00 0.00 C ATOM 345 C VAL A 23 -0.576 -0.840 -0.456 1.00 0.00 C ATOM 346 O VAL A 23 0.096 -1.832 -0.735 1.00 0.00 O ATOM 347 CB VAL A 23 -1.242 0.375 -2.536 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.721 0.191 -2.228 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.013 1.618 -3.382 1.00 0.00 C ATOM 0 H VAL A 23 1.386 0.180 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.799 1.280 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.909 -0.494 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.283 0.134 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.863 -0.730 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.078 1.037 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.599 1.548 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.320 2.501 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.045 1.697 -3.633 1.00 0.00 H new ATOM 359 N ASP A 24 -1.470 -0.818 0.526 1.00 0.00 N ATOM 360 CA ASP A 24 -1.725 -1.983 1.363 1.00 0.00 C ATOM 361 C ASP A 24 -3.044 -2.653 0.975 1.00 0.00 C ATOM 362 O ASP A 24 -4.074 -1.993 0.855 1.00 0.00 O ATOM 363 CB ASP A 24 -1.767 -1.564 2.836 1.00 0.00 C ATOM 364 CG ASP A 24 -2.000 -2.733 3.772 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.138 -3.632 3.824 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.045 -2.746 4.455 1.00 0.00 O ATOM 0 H ASP A 24 -2.033 -0.001 0.762 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.918 -2.700 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.828 -1.077 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.558 -0.828 2.977 1.00 0.00 H new ATOM 371 N PHE A 25 -3.004 -3.969 0.791 1.00 0.00 N ATOM 372 CA PHE A 25 -4.182 -4.734 0.429 1.00 0.00 C ATOM 373 C PHE A 25 -4.770 -5.398 1.671 1.00 0.00 C ATOM 374 O PHE A 25 -5.041 -6.600 1.681 1.00 0.00 O ATOM 375 CB PHE A 25 -3.795 -5.797 -0.595 1.00 0.00 C ATOM 376 CG PHE A 25 -3.530 -5.270 -1.975 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.620 -4.246 -2.202 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.176 -5.835 -3.053 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.366 -3.799 -3.488 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.934 -5.394 -4.335 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.026 -4.376 -4.555 1.00 0.00 C ATOM 0 H PHE A 25 -2.157 -4.528 0.889 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.930 -4.069 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.904 -6.316 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.594 -6.537 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.105 -3.794 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.883 -6.635 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.655 -3.003 -3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.454 -5.844 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.833 -4.032 -5.560 1.00 0.00 H new ATOM 391 N TYR A 26 -4.948 -4.603 2.723 1.00 0.00 N ATOM 392 CA TYR A 26 -5.484 -5.100 3.989 1.00 0.00 C ATOM 393 C TYR A 26 -6.725 -5.965 3.798 1.00 0.00 C ATOM 394 O TYR A 26 -7.636 -5.618 3.051 1.00 0.00 O ATOM 395 CB TYR A 26 -5.786 -3.937 4.941 1.00 0.00 C ATOM 396 CG TYR A 26 -6.447 -2.734 4.291 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.669 -2.842 3.638 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.847 -1.480 4.347 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.270 -1.738 3.060 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.442 -0.378 3.776 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.653 -0.508 3.134 1.00 0.00 C ATOM 402 OH TYR A 26 -8.247 0.592 2.561 1.00 0.00 O ATOM 0 H TYR A 26 -4.728 -3.607 2.724 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.715 -5.734 4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.431 -4.300 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.854 -3.615 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.158 -3.804 3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.897 -1.369 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.218 -1.840 2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.960 0.587 3.831 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.185 0.390 2.360 1.00 0.00 H new ATOM 412 N ALA A 27 -6.748 -7.098 4.496 1.00 0.00 N ATOM 413 CA ALA A 27 -7.872 -8.019 4.422 1.00 0.00 C ATOM 414 C ALA A 27 -9.143 -7.347 4.918 1.00 0.00 C ATOM 415 O ALA A 27 -9.164 -6.760 6.000 1.00 0.00 O ATOM 416 CB ALA A 27 -7.582 -9.276 5.230 1.00 0.00 C ATOM 0 H ALA A 27 -5.998 -7.398 5.119 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.018 -8.305 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.432 -9.955 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.694 -9.767 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.412 -9.007 6.273 1.00 0.00 H new ATOM 422 N THR A 28 -10.196 -7.421 4.118 1.00 0.00 N ATOM 423 CA THR A 28 -11.466 -6.805 4.475 1.00 0.00 C ATOM 424 C THR A 28 -12.018 -7.364 5.782 1.00 0.00 C ATOM 425 O THR A 28 -12.763 -6.685 6.491 1.00 0.00 O ATOM 426 CB THR A 28 -12.492 -7.016 3.366 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.747 -6.489 3.754 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.694 -8.472 3.005 1.00 0.00 C ATOM 0 H THR A 28 -10.197 -7.901 3.218 1.00 0.00 H new ATOM 0 HA THR A 28 -11.280 -5.739 4.607 1.00 0.00 H new ATOM 0 HB THR A 28 -12.094 -6.499 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.728 -5.512 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.436 -8.550 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.750 -8.896 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.042 -9.019 3.881 1.00 0.00 H new ATOM 436 N TRP A 29 -11.671 -8.609 6.088 1.00 0.00 N ATOM 437 CA TRP A 29 -12.160 -9.259 7.301 1.00 0.00 C ATOM 438 C TRP A 29 -11.193 -9.113 8.476 1.00 0.00 C ATOM 439 O TRP A 29 -11.630 -8.964 9.617 1.00 0.00 O ATOM 440 CB TRP A 29 -12.438 -10.741 7.039 1.00 0.00 C ATOM 441 CG TRP A 29 -11.359 -11.423 6.258 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.247 -11.490 4.898 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.224 -12.107 6.789 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.122 -12.198 4.554 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.475 -12.584 5.698 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.772 -12.368 8.084 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.298 -13.307 5.863 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.603 -13.083 8.249 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.876 -13.546 7.142 1.00 0.00 C ATOM 0 H TRP A 29 -11.056 -9.188 5.516 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.086 -8.755 7.576 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.564 -11.253 7.993 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.381 -10.836 6.500 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.941 -11.051 4.197 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.818 -12.403 3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.327 -12.017 8.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.738 -13.666 5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.242 -13.289 9.246 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.965 -14.103 7.303 1.00 0.00 H new ATOM 460 N CYS A 30 -9.887 -9.164 8.210 1.00 0.00 N ATOM 461 CA CYS A 30 -8.893 -9.043 9.279 1.00 0.00 C ATOM 462 C CYS A 30 -9.237 -7.874 10.203 1.00 0.00 C ATOM 463 O CYS A 30 -9.976 -6.968 9.817 1.00 0.00 O ATOM 464 CB CYS A 30 -7.487 -8.852 8.705 1.00 0.00 C ATOM 465 SG CYS A 30 -6.174 -8.968 9.945 1.00 0.00 S ATOM 0 H CYS A 30 -9.496 -9.287 7.276 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.910 -9.969 9.854 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.314 -9.603 7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.431 -7.878 8.220 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.614 -10.139 9.876 1.00 0.00 H new ATOM 471 N GLY A 31 -8.710 -7.901 11.423 1.00 0.00 N ATOM 472 CA GLY A 31 -8.993 -6.838 12.373 1.00 0.00 C ATOM 473 C GLY A 31 -7.871 -5.819 12.487 1.00 0.00 C ATOM 474 O GLY A 31 -8.048 -4.656 12.122 1.00 0.00 O ATOM 0 H GLY A 31 -8.094 -8.636 11.771 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.909 -6.328 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.177 -7.276 13.354 1.00 0.00 H new ATOM 478 N PRO A 32 -6.700 -6.226 13.005 1.00 0.00 N ATOM 479 CA PRO A 32 -5.550 -5.330 13.177 1.00 0.00 C ATOM 480 C PRO A 32 -5.262 -4.481 11.940 1.00 0.00 C ATOM 481 O PRO A 32 -4.696 -3.391 12.042 1.00 0.00 O ATOM 482 CB PRO A 32 -4.397 -6.295 13.444 1.00 0.00 C ATOM 483 CG PRO A 32 -5.038 -7.471 14.093 1.00 0.00 C ATOM 484 CD PRO A 32 -6.407 -7.594 13.477 1.00 0.00 C ATOM 0 HA PRO A 32 -5.719 -4.604 13.972 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.894 -6.577 12.519 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.645 -5.845 14.092 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.453 -8.375 13.926 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.107 -7.331 15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.414 -8.311 12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.145 -7.934 14.204 1.00 0.00 H new ATOM 492 N CYS A 33 -5.645 -4.986 10.774 1.00 0.00 N ATOM 493 CA CYS A 33 -5.419 -4.273 9.520 1.00 0.00 C ATOM 494 C CYS A 33 -6.123 -2.912 9.500 1.00 0.00 C ATOM 495 O CYS A 33 -5.806 -2.057 8.674 1.00 0.00 O ATOM 496 CB CYS A 33 -5.905 -5.109 8.340 1.00 0.00 C ATOM 497 SG CYS A 33 -4.936 -6.603 8.048 1.00 0.00 S ATOM 0 H CYS A 33 -6.113 -5.886 10.669 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.346 -4.103 9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.944 -5.390 8.511 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.885 -4.494 7.440 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.326 -7.539 8.862 1.00 0.00 H new ATOM 503 N LYS A 34 -7.094 -2.725 10.391 1.00 0.00 N ATOM 504 CA LYS A 34 -7.848 -1.473 10.443 1.00 0.00 C ATOM 505 C LYS A 34 -7.027 -0.333 11.041 1.00 0.00 C ATOM 506 O LYS A 34 -7.030 0.780 10.518 1.00 0.00 O ATOM 507 CB LYS A 34 -9.136 -1.665 11.247 1.00 0.00 C ATOM 508 CG LYS A 34 -10.078 -2.698 10.651 1.00 0.00 C ATOM 509 CD LYS A 34 -10.529 -2.300 9.254 1.00 0.00 C ATOM 510 CE LYS A 34 -11.480 -3.328 8.661 1.00 0.00 C ATOM 511 NZ LYS A 34 -11.931 -2.944 7.296 1.00 0.00 N ATOM 0 H LYS A 34 -7.377 -3.419 11.083 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.094 -1.200 9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.879 -1.964 12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.656 -0.710 11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.580 -3.667 10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.949 -2.814 11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.020 -1.328 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.659 -2.192 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.986 -4.299 8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.347 -3.439 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.578 -3.670 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.425 -2.030 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.106 -2.863 6.668 1.00 0.00 H new ATOM 525 N MET A 35 -6.324 -0.612 12.135 1.00 0.00 N ATOM 526 CA MET A 35 -5.501 0.404 12.788 1.00 0.00 C ATOM 527 C MET A 35 -4.269 0.750 11.952 1.00 0.00 C ATOM 528 O MET A 35 -3.444 1.569 12.355 1.00 0.00 O ATOM 529 CB MET A 35 -5.068 -0.075 14.173 1.00 0.00 C ATOM 530 CG MET A 35 -6.230 -0.344 15.116 1.00 0.00 C ATOM 531 SD MET A 35 -5.690 -0.879 16.750 1.00 0.00 S ATOM 532 CE MET A 35 -7.265 -1.078 17.581 1.00 0.00 C ATOM 0 H MET A 35 -6.307 -1.527 12.586 1.00 0.00 H new ATOM 0 HA MET A 35 -6.107 1.305 12.889 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.480 -0.987 14.065 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.415 0.675 14.620 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.830 0.561 15.214 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.875 -1.108 14.683 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.096 -1.407 18.606 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.796 -0.126 17.588 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.863 -1.822 17.055 1.00 0.00 H new ATOM 542 N ILE A 36 -4.154 0.126 10.785 1.00 0.00 N ATOM 543 CA ILE A 36 -3.035 0.362 9.888 1.00 0.00 C ATOM 544 C ILE A 36 -3.169 1.697 9.155 1.00 0.00 C ATOM 545 O ILE A 36 -2.181 2.403 8.955 1.00 0.00 O ATOM 546 CB ILE A 36 -2.923 -0.784 8.865 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.438 -2.057 9.554 1.00 0.00 C ATOM 548 CG2 ILE A 36 -2.006 -0.408 7.717 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.247 -3.215 8.608 1.00 0.00 C ATOM 0 H ILE A 36 -4.831 -0.553 10.438 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.130 0.400 10.495 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.913 -0.968 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.494 -1.851 10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.156 -2.341 10.323 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.947 -1.237 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.400 0.473 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.011 -0.189 8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.902 -4.086 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.194 -3.447 8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.507 -2.950 7.853 1.00 0.00 H new ATOM 561 N ALA A 37 -4.388 2.034 8.746 1.00 0.00 N ATOM 562 CA ALA A 37 -4.642 3.280 8.024 1.00 0.00 C ATOM 563 C ALA A 37 -3.920 4.469 8.660 1.00 0.00 C ATOM 564 O ALA A 37 -3.224 5.215 7.971 1.00 0.00 O ATOM 565 CB ALA A 37 -6.137 3.548 7.944 1.00 0.00 C ATOM 0 H ALA A 37 -5.218 1.462 8.902 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.245 3.161 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.311 4.479 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.626 2.727 7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.546 3.631 8.951 1.00 0.00 H new ATOM 571 N PRO A 38 -4.061 4.665 9.984 1.00 0.00 N ATOM 572 CA PRO A 38 -3.397 5.771 10.675 1.00 0.00 C ATOM 573 C PRO A 38 -1.890 5.558 10.734 1.00 0.00 C ATOM 574 O PRO A 38 -1.115 6.512 10.702 1.00 0.00 O ATOM 575 CB PRO A 38 -4.009 5.748 12.076 1.00 0.00 C ATOM 576 CG PRO A 38 -4.486 4.350 12.269 1.00 0.00 C ATOM 577 CD PRO A 38 -4.854 3.828 10.905 1.00 0.00 C ATOM 0 HA PRO A 38 -3.539 6.726 10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.273 6.021 12.832 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.830 6.460 12.159 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.709 3.735 12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.345 4.323 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.606 2.772 10.800 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.923 3.925 10.714 1.00 0.00 H new ATOM 585 N MET A 39 -1.485 4.294 10.794 1.00 0.00 N ATOM 586 CA MET A 39 -0.072 3.950 10.826 1.00 0.00 C ATOM 587 C MET A 39 0.553 4.275 9.476 1.00 0.00 C ATOM 588 O MET A 39 1.559 4.975 9.398 1.00 0.00 O ATOM 589 CB MET A 39 0.106 2.466 11.154 1.00 0.00 C ATOM 590 CG MET A 39 1.552 2.061 11.391 1.00 0.00 C ATOM 591 SD MET A 39 2.282 2.897 12.814 1.00 0.00 S ATOM 592 CE MET A 39 1.191 2.347 14.125 1.00 0.00 C ATOM 0 H MET A 39 -2.116 3.493 10.821 1.00 0.00 H new ATOM 0 HA MET A 39 0.425 4.531 11.602 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.479 2.227 12.042 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.299 1.871 10.335 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.603 0.983 11.542 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.139 2.287 10.501 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.694 2.453 15.086 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.284 2.952 14.121 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.930 1.301 13.966 1.00 0.00 H new ATOM 602 N ILE A 40 -0.077 3.782 8.410 1.00 0.00 N ATOM 603 CA ILE A 40 0.388 4.037 7.051 1.00 0.00 C ATOM 604 C ILE A 40 0.620 5.532 6.839 1.00 0.00 C ATOM 605 O ILE A 40 1.466 5.936 6.041 1.00 0.00 O ATOM 606 CB ILE A 40 -0.635 3.519 6.009 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.703 1.993 6.044 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.284 4.003 4.607 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.694 1.405 5.057 1.00 0.00 C ATOM 0 H ILE A 40 -0.914 3.202 8.464 1.00 0.00 H new ATOM 0 HA ILE A 40 1.328 3.503 6.914 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.614 3.921 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.288 1.589 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.972 1.673 7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.019 3.624 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.288 5.093 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.706 3.639 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.688 0.318 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.693 1.780 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.414 1.694 4.044 1.00 0.00 H new ATOM 621 N GLU A 41 -0.139 6.342 7.567 1.00 0.00 N ATOM 622 CA GLU A 41 -0.029 7.791 7.477 1.00 0.00 C ATOM 623 C GLU A 41 1.216 8.288 8.204 1.00 0.00 C ATOM 624 O GLU A 41 1.858 9.248 7.776 1.00 0.00 O ATOM 625 CB GLU A 41 -1.277 8.439 8.077 1.00 0.00 C ATOM 626 CG GLU A 41 -1.245 9.959 8.062 1.00 0.00 C ATOM 627 CD GLU A 41 -2.490 10.573 8.670 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.759 10.315 9.862 1.00 0.00 O ATOM 629 OE2 GLU A 41 -3.199 11.313 7.953 1.00 0.00 O ATOM 0 H GLU A 41 -0.842 6.016 8.230 1.00 0.00 H new ATOM 0 HA GLU A 41 0.056 8.068 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.153 8.098 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.394 8.097 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.369 10.306 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.137 10.307 7.035 1.00 0.00 H new ATOM 636 N LYS A 42 1.546 7.629 9.308 1.00 0.00 N ATOM 637 CA LYS A 42 2.708 7.998 10.107 1.00 0.00 C ATOM 638 C LYS A 42 4.008 7.848 9.316 1.00 0.00 C ATOM 639 O LYS A 42 5.028 8.441 9.669 1.00 0.00 O ATOM 640 CB LYS A 42 2.762 7.146 11.376 1.00 0.00 C ATOM 641 CG LYS A 42 1.618 7.416 12.340 1.00 0.00 C ATOM 642 CD LYS A 42 1.705 6.529 13.572 1.00 0.00 C ATOM 643 CE LYS A 42 2.995 6.766 14.344 1.00 0.00 C ATOM 644 NZ LYS A 42 3.113 8.174 14.814 1.00 0.00 N ATOM 0 H LYS A 42 1.023 6.833 9.672 1.00 0.00 H new ATOM 0 HA LYS A 42 2.606 9.048 10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.750 6.092 11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.707 7.329 11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.635 8.463 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.667 7.246 11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.851 6.723 14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.647 5.483 13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.034 6.093 15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.847 6.523 13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.903 8.250 15.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.289 8.798 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.230 8.458 15.283 1.00 0.00 H new ATOM 658 N PHE A 43 3.974 7.048 8.253 1.00 0.00 N ATOM 659 CA PHE A 43 5.159 6.825 7.430 1.00 0.00 C ATOM 660 C PHE A 43 5.257 7.832 6.292 1.00 0.00 C ATOM 661 O PHE A 43 6.346 8.104 5.787 1.00 0.00 O ATOM 662 CB PHE A 43 5.161 5.402 6.869 1.00 0.00 C ATOM 663 CG PHE A 43 5.336 4.345 7.919 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.430 4.229 8.958 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.409 3.468 7.867 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.589 3.258 9.927 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.572 2.495 8.833 1.00 0.00 C ATOM 668 CZ PHE A 43 5.660 2.389 9.865 1.00 0.00 C ATOM 0 H PHE A 43 3.142 6.545 7.943 1.00 0.00 H new ATOM 0 HA PHE A 43 6.029 6.961 8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.224 5.227 6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.962 5.310 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.589 4.905 9.012 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.125 3.547 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.875 3.178 10.734 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.412 1.818 8.782 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.784 1.628 10.621 1.00 0.00 H new ATOM 678 N SER A 44 4.121 8.384 5.892 1.00 0.00 N ATOM 679 CA SER A 44 4.085 9.356 4.819 1.00 0.00 C ATOM 680 C SER A 44 4.885 10.611 5.169 1.00 0.00 C ATOM 681 O SER A 44 5.169 11.435 4.298 1.00 0.00 O ATOM 682 CB SER A 44 2.635 9.723 4.524 1.00 0.00 C ATOM 683 OG SER A 44 1.889 8.582 4.139 1.00 0.00 O ATOM 0 H SER A 44 3.210 8.172 6.299 1.00 0.00 H new ATOM 0 HA SER A 44 4.544 8.912 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.184 10.175 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.600 10.469 3.730 1.00 0.00 H new ATOM 0 HG SER A 44 2.444 8.003 3.576 1.00 0.00 H new ATOM 689 N GLU A 45 5.247 10.756 6.441 1.00 0.00 N ATOM 690 CA GLU A 45 6.012 11.914 6.886 1.00 0.00 C ATOM 691 C GLU A 45 7.511 11.698 6.689 1.00 0.00 C ATOM 692 O GLU A 45 8.274 12.657 6.563 1.00 0.00 O ATOM 693 CB GLU A 45 5.717 12.205 8.360 1.00 0.00 C ATOM 694 CG GLU A 45 6.479 13.398 8.915 1.00 0.00 C ATOM 695 CD GLU A 45 6.156 14.689 8.187 1.00 0.00 C ATOM 696 OE1 GLU A 45 6.404 14.762 6.966 1.00 0.00 O ATOM 697 OE2 GLU A 45 5.651 15.627 8.840 1.00 0.00 O ATOM 0 H GLU A 45 5.023 10.088 7.178 1.00 0.00 H new ATOM 0 HA GLU A 45 5.710 12.769 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.648 12.381 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.962 11.322 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.244 13.514 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.549 13.205 8.846 1.00 0.00 H new ATOM 704 N GLN A 46 7.931 10.437 6.670 1.00 0.00 N ATOM 705 CA GLN A 46 9.342 10.102 6.497 1.00 0.00 C ATOM 706 C GLN A 46 9.709 9.922 5.028 1.00 0.00 C ATOM 707 O GLN A 46 10.842 10.189 4.629 1.00 0.00 O ATOM 708 CB GLN A 46 9.681 8.836 7.279 1.00 0.00 C ATOM 709 CG GLN A 46 9.469 8.985 8.772 1.00 0.00 C ATOM 710 CD GLN A 46 9.808 7.725 9.543 1.00 0.00 C ATOM 711 OE1 GLN A 46 10.941 7.246 9.505 1.00 0.00 O ATOM 712 NE2 GLN A 46 8.823 7.179 10.248 1.00 0.00 N ATOM 0 H GLN A 46 7.316 9.630 6.772 1.00 0.00 H new ATOM 0 HA GLN A 46 9.927 10.937 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.067 8.014 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.720 8.567 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.082 9.807 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.430 9.253 8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.898 7.610 10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.991 6.329 10.786 1.00 0.00 H new ATOM 721 N TYR A 47 8.754 9.465 4.224 1.00 0.00 N ATOM 722 CA TYR A 47 9.001 9.253 2.801 1.00 0.00 C ATOM 723 C TYR A 47 8.019 10.046 1.938 1.00 0.00 C ATOM 724 O TYR A 47 7.442 9.514 0.993 1.00 0.00 O ATOM 725 CB TYR A 47 8.905 7.763 2.478 1.00 0.00 C ATOM 726 CG TYR A 47 9.905 6.921 3.236 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.254 6.940 2.908 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.497 6.112 4.287 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.168 6.171 3.602 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.404 5.339 4.987 1.00 0.00 C ATOM 731 CZ TYR A 47 11.738 5.372 4.640 1.00 0.00 C ATOM 732 OH TYR A 47 12.644 4.604 5.336 1.00 0.00 O ATOM 0 H TYR A 47 7.808 9.236 4.530 1.00 0.00 H new ATOM 0 HA TYR A 47 10.005 9.611 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.898 7.413 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.057 7.620 1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.594 7.566 2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.453 6.086 4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.214 6.196 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.070 4.713 5.801 1.00 0.00 H new ATOM 0 HH TYR A 47 12.411 3.657 5.241 1.00 0.00 H new ATOM 742 N PRO A 48 7.813 11.334 2.265 1.00 0.00 N ATOM 743 CA PRO A 48 6.895 12.214 1.534 1.00 0.00 C ATOM 744 C PRO A 48 6.881 11.982 0.025 1.00 0.00 C ATOM 745 O PRO A 48 5.849 12.143 -0.626 1.00 0.00 O ATOM 746 CB PRO A 48 7.442 13.601 1.857 1.00 0.00 C ATOM 747 CG PRO A 48 8.017 13.475 3.229 1.00 0.00 C ATOM 748 CD PRO A 48 8.446 12.036 3.398 1.00 0.00 C ATOM 0 HA PRO A 48 5.859 12.047 1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.201 13.904 1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.654 14.354 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.865 14.148 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.279 13.748 3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.531 11.938 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.113 11.631 4.354 1.00 0.00 H new ATOM 756 N GLN A 49 8.026 11.610 -0.526 1.00 0.00 N ATOM 757 CA GLN A 49 8.138 11.365 -1.965 1.00 0.00 C ATOM 758 C GLN A 49 7.307 10.154 -2.376 1.00 0.00 C ATOM 759 O GLN A 49 6.793 10.089 -3.492 1.00 0.00 O ATOM 760 CB GLN A 49 9.598 11.152 -2.372 1.00 0.00 C ATOM 761 CG GLN A 49 10.505 12.321 -2.026 1.00 0.00 C ATOM 762 CD GLN A 49 10.086 13.610 -2.706 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.972 14.098 -2.505 1.00 0.00 O ATOM 764 NE2 GLN A 49 10.976 14.170 -3.515 1.00 0.00 N ATOM 0 H GLN A 49 8.891 11.470 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 49 7.755 12.246 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.975 10.254 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.644 10.973 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.504 12.468 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.528 12.079 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.887 13.732 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.749 15.039 -3.999 1.00 0.00 H new ATOM 773 N ALA A 50 7.173 9.200 -1.468 1.00 0.00 N ATOM 774 CA ALA A 50 6.400 7.998 -1.741 1.00 0.00 C ATOM 775 C ALA A 50 4.941 8.204 -1.356 1.00 0.00 C ATOM 776 O ALA A 50 4.641 8.796 -0.318 1.00 0.00 O ATOM 777 CB ALA A 50 6.991 6.813 -0.990 1.00 0.00 C ATOM 0 H ALA A 50 7.589 9.234 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 50 6.444 7.789 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.405 5.919 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.021 6.656 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.971 7.015 0.081 1.00 0.00 H new ATOM 783 N ASP A 51 4.036 7.718 -2.197 1.00 0.00 N ATOM 784 CA ASP A 51 2.610 7.857 -1.939 1.00 0.00 C ATOM 785 C ASP A 51 2.101 6.676 -1.127 1.00 0.00 C ATOM 786 O ASP A 51 2.224 5.524 -1.539 1.00 0.00 O ATOM 787 CB ASP A 51 1.836 7.961 -3.253 1.00 0.00 C ATOM 788 CG ASP A 51 2.266 9.153 -4.085 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.458 9.221 -4.453 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.411 10.019 -4.369 1.00 0.00 O ATOM 0 H ASP A 51 4.264 7.226 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 51 2.452 8.771 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.981 7.048 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.770 8.037 -3.038 1.00 0.00 H new ATOM 795 N PHE A 52 1.536 6.973 0.036 1.00 0.00 N ATOM 796 CA PHE A 52 1.016 5.936 0.915 1.00 0.00 C ATOM 797 C PHE A 52 -0.486 5.757 0.743 1.00 0.00 C ATOM 798 O PHE A 52 -1.279 6.290 1.517 1.00 0.00 O ATOM 799 CB PHE A 52 1.342 6.259 2.373 1.00 0.00 C ATOM 800 CG PHE A 52 2.812 6.228 2.673 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.682 7.105 2.048 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.325 5.311 3.577 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.036 7.071 2.320 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.678 5.272 3.853 1.00 0.00 C ATOM 805 CZ PHE A 52 5.535 6.154 3.225 1.00 0.00 C ATOM 0 H PHE A 52 1.427 7.923 0.392 1.00 0.00 H new ATOM 0 HA PHE A 52 1.500 4.999 0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.949 7.246 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.831 5.545 3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.298 7.824 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.659 4.619 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.704 7.761 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.065 4.552 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.593 6.127 3.441 1.00 0.00 H new ATOM 815 N TYR A 53 -0.865 4.983 -0.266 1.00 0.00 N ATOM 816 CA TYR A 53 -2.269 4.704 -0.530 1.00 0.00 C ATOM 817 C TYR A 53 -2.656 3.369 0.086 1.00 0.00 C ATOM 818 O TYR A 53 -1.837 2.715 0.733 1.00 0.00 O ATOM 819 CB TYR A 53 -2.541 4.690 -2.036 1.00 0.00 C ATOM 820 CG TYR A 53 -2.639 6.067 -2.654 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.716 6.897 -2.370 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.661 6.535 -3.522 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.816 8.154 -2.933 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.753 7.793 -4.088 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.832 8.597 -3.791 1.00 0.00 C ATOM 826 OH TYR A 53 -2.928 9.849 -4.353 1.00 0.00 O ATOM 0 H TYR A 53 -0.217 4.537 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.872 5.492 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.746 4.135 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.470 4.152 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.488 6.553 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.815 5.906 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.660 8.787 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.983 8.144 -4.759 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.154 10.008 -4.932 1.00 0.00 H new ATOM 836 N LYS A 54 -3.904 2.963 -0.107 1.00 0.00 N ATOM 837 CA LYS A 54 -4.371 1.703 0.445 1.00 0.00 C ATOM 838 C LYS A 54 -5.394 1.041 -0.469 1.00 0.00 C ATOM 839 O LYS A 54 -6.255 1.704 -1.047 1.00 0.00 O ATOM 840 CB LYS A 54 -4.946 1.919 1.843 1.00 0.00 C ATOM 841 CG LYS A 54 -3.968 2.597 2.792 1.00 0.00 C ATOM 842 CD LYS A 54 -4.383 2.457 4.250 1.00 0.00 C ATOM 843 CE LYS A 54 -5.779 2.999 4.505 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.887 4.449 4.184 1.00 0.00 N ATOM 0 H LYS A 54 -4.603 3.483 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.518 1.029 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.849 2.524 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.241 0.956 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.976 2.166 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.893 3.654 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.345 1.406 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.669 2.986 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.498 2.441 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.044 2.839 5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.865 4.767 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.244 4.989 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.628 4.605 3.189 1.00 0.00 H new ATOM 858 N LEU A 55 -5.276 -0.275 -0.603 1.00 0.00 N ATOM 859 CA LEU A 55 -6.169 -1.046 -1.456 1.00 0.00 C ATOM 860 C LEU A 55 -7.224 -1.772 -0.627 1.00 0.00 C ATOM 861 O LEU A 55 -6.915 -2.368 0.404 1.00 0.00 O ATOM 862 CB LEU A 55 -5.354 -2.054 -2.272 1.00 0.00 C ATOM 863 CG LEU A 55 -6.080 -2.678 -3.468 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.254 -3.525 -3.008 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.546 -1.594 -4.428 1.00 0.00 C ATOM 0 H LEU A 55 -4.566 -0.832 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.683 -0.362 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.454 -1.558 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.030 -2.855 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.380 -3.329 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.753 -3.957 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.894 -4.325 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.959 -2.902 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.060 -2.053 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.228 -0.919 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.684 -1.033 -4.789 1.00 0.00 H new ATOM 877 N ASP A 56 -8.470 -1.715 -1.087 1.00 0.00 N ATOM 878 CA ASP A 56 -9.571 -2.369 -0.390 1.00 0.00 C ATOM 879 C ASP A 56 -9.720 -3.812 -0.870 1.00 0.00 C ATOM 880 O ASP A 56 -9.774 -4.074 -2.071 1.00 0.00 O ATOM 881 CB ASP A 56 -10.870 -1.593 -0.614 1.00 0.00 C ATOM 882 CG ASP A 56 -11.990 -2.069 0.285 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.322 -3.268 0.227 1.00 0.00 O ATOM 884 OD2 ASP A 56 -12.533 -1.243 1.049 1.00 0.00 O ATOM 0 H ASP A 56 -8.742 -1.223 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.353 -2.382 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.691 -0.532 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.176 -1.695 -1.655 1.00 0.00 H new ATOM 889 N VAL A 57 -9.763 -4.748 0.074 1.00 0.00 N ATOM 890 CA VAL A 57 -9.875 -6.167 -0.257 1.00 0.00 C ATOM 891 C VAL A 57 -11.326 -6.620 -0.459 1.00 0.00 C ATOM 892 O VAL A 57 -11.567 -7.722 -0.953 1.00 0.00 O ATOM 893 CB VAL A 57 -9.181 -7.040 0.818 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.556 -8.510 0.669 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.670 -6.871 0.720 1.00 0.00 C ATOM 0 H VAL A 57 -9.722 -4.551 1.074 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.365 -6.302 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.522 -6.708 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.052 -9.094 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.635 -8.623 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.250 -8.866 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.185 -7.487 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.333 -7.180 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.410 -5.825 0.881 1.00 0.00 H new ATOM 905 N ASP A 58 -12.291 -5.778 -0.098 1.00 0.00 N ATOM 906 CA ASP A 58 -13.700 -6.132 -0.274 1.00 0.00 C ATOM 907 C ASP A 58 -14.317 -5.384 -1.450 1.00 0.00 C ATOM 908 O ASP A 58 -15.086 -5.953 -2.225 1.00 0.00 O ATOM 909 CB ASP A 58 -14.507 -5.861 0.996 1.00 0.00 C ATOM 910 CG ASP A 58 -14.349 -4.441 1.508 1.00 0.00 C ATOM 911 OD1 ASP A 58 -14.735 -3.502 0.782 1.00 0.00 O ATOM 912 OD2 ASP A 58 -13.840 -4.271 2.635 1.00 0.00 O ATOM 0 H ASP A 58 -12.129 -4.858 0.312 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.735 -7.201 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.561 -6.055 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.195 -6.558 1.774 1.00 0.00 H new ATOM 917 N GLU A 59 -13.980 -4.107 -1.579 1.00 0.00 N ATOM 918 CA GLU A 59 -14.507 -3.288 -2.662 1.00 0.00 C ATOM 919 C GLU A 59 -13.793 -3.606 -3.972 1.00 0.00 C ATOM 920 O GLU A 59 -14.378 -3.513 -5.051 1.00 0.00 O ATOM 921 CB GLU A 59 -14.358 -1.801 -2.331 1.00 0.00 C ATOM 922 CG GLU A 59 -15.108 -0.891 -3.289 1.00 0.00 C ATOM 923 CD GLU A 59 -16.611 -1.067 -3.199 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.170 -0.847 -2.102 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.231 -1.424 -4.223 1.00 0.00 O ATOM 0 H GLU A 59 -13.345 -3.617 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.566 -3.517 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.718 -1.624 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.300 -1.538 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.853 0.147 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.782 -1.094 -4.309 1.00 0.00 H new ATOM 932 N LEU A 60 -12.522 -3.987 -3.867 1.00 0.00 N ATOM 933 CA LEU A 60 -11.725 -4.327 -5.039 1.00 0.00 C ATOM 934 C LEU A 60 -11.122 -5.720 -4.897 1.00 0.00 C ATOM 935 O LEU A 60 -9.954 -5.938 -5.220 1.00 0.00 O ATOM 936 CB LEU A 60 -10.607 -3.303 -5.254 1.00 0.00 C ATOM 937 CG LEU A 60 -11.071 -1.874 -5.542 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.812 -1.301 -4.346 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.885 -0.997 -5.908 1.00 0.00 C ATOM 0 H LEU A 60 -12.023 -4.067 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.387 -4.314 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.975 -3.289 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.985 -3.639 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.757 -1.897 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.134 -0.284 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.684 -1.918 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.151 -1.289 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.231 0.017 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.176 -0.980 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.397 -1.398 -6.796 1.00 0.00 H new ATOM 951 N GLY A 61 -11.926 -6.662 -4.410 1.00 0.00 N ATOM 952 CA GLY A 61 -11.451 -8.023 -4.235 1.00 0.00 C ATOM 953 C GLY A 61 -10.742 -8.553 -5.467 1.00 0.00 C ATOM 954 O GLY A 61 -9.873 -9.418 -5.371 1.00 0.00 O ATOM 0 H GLY A 61 -12.896 -6.507 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.771 -8.061 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.295 -8.671 -3.998 1.00 0.00 H new ATOM 958 N ASP A 62 -11.116 -8.028 -6.629 1.00 0.00 N ATOM 959 CA ASP A 62 -10.513 -8.446 -7.885 1.00 0.00 C ATOM 960 C ASP A 62 -9.021 -8.132 -7.919 1.00 0.00 C ATOM 961 O ASP A 62 -8.259 -8.785 -8.631 1.00 0.00 O ATOM 962 CB ASP A 62 -11.211 -7.772 -9.055 1.00 0.00 C ATOM 963 CG ASP A 62 -12.684 -8.120 -9.135 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.415 -7.830 -8.166 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.105 -8.684 -10.166 1.00 0.00 O ATOM 0 H ASP A 62 -11.835 -7.311 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.634 -9.526 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.101 -6.691 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.721 -8.066 -9.983 1.00 0.00 H new ATOM 970 N VAL A 63 -8.607 -7.127 -7.151 1.00 0.00 N ATOM 971 CA VAL A 63 -7.202 -6.731 -7.106 1.00 0.00 C ATOM 972 C VAL A 63 -6.411 -7.646 -6.170 1.00 0.00 C ATOM 973 O VAL A 63 -5.433 -8.270 -6.580 1.00 0.00 O ATOM 974 CB VAL A 63 -7.047 -5.261 -6.661 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.630 -4.772 -6.902 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.050 -4.375 -7.386 1.00 0.00 C ATOM 0 H VAL A 63 -9.222 -6.574 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.802 -6.827 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.249 -5.205 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.544 -3.734 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.931 -5.387 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.396 -4.844 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.926 -3.342 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.881 -4.439 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.062 -4.709 -7.157 1.00 0.00 H new ATOM 986 N ALA A 64 -6.851 -7.754 -4.917 1.00 0.00 N ATOM 987 CA ALA A 64 -6.189 -8.629 -3.946 1.00 0.00 C ATOM 988 C ALA A 64 -6.013 -10.027 -4.535 1.00 0.00 C ATOM 989 O ALA A 64 -5.101 -10.762 -4.156 1.00 0.00 O ATOM 990 CB ALA A 64 -7.002 -8.697 -2.661 1.00 0.00 C ATOM 0 H ALA A 64 -7.658 -7.250 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.206 -8.219 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.500 -9.350 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.095 -7.698 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.994 -9.092 -2.879 1.00 0.00 H new ATOM 996 N GLN A 65 -6.895 -10.383 -5.468 1.00 0.00 N ATOM 997 CA GLN A 65 -6.843 -11.686 -6.117 1.00 0.00 C ATOM 998 C GLN A 65 -5.981 -11.654 -7.379 1.00 0.00 C ATOM 999 O GLN A 65 -5.275 -12.620 -7.672 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.255 -12.170 -6.462 1.00 0.00 C ATOM 1001 CG GLN A 65 -9.020 -12.743 -5.276 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.194 -11.753 -4.141 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -8.220 -11.302 -3.537 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -10.441 -11.412 -3.840 1.00 0.00 N ATOM 0 H GLN A 65 -7.655 -9.783 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.386 -12.382 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.822 -11.337 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.187 -12.931 -7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.002 -13.076 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.495 -13.623 -4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.219 -11.809 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.621 -10.753 -3.083 1.00 0.00 H new ATOM 1013 N LYS A 66 -6.037 -10.552 -8.130 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.248 -10.443 -9.357 1.00 0.00 C ATOM 1015 C LYS A 66 -3.761 -10.578 -9.037 1.00 0.00 C ATOM 1016 O LYS A 66 -3.044 -11.343 -9.681 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.523 -9.118 -10.089 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.753 -7.921 -9.549 1.00 0.00 C ATOM 1019 CD LYS A 66 -5.004 -6.678 -10.388 1.00 0.00 C ATOM 1020 CE LYS A 66 -4.129 -5.517 -9.945 1.00 0.00 C ATOM 1021 NZ LYS A 66 -4.384 -4.286 -10.745 1.00 0.00 N ATOM 0 H LYS A 66 -6.610 -9.736 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.545 -11.254 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.279 -9.244 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.590 -8.902 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.048 -7.731 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.687 -8.146 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.809 -6.901 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.053 -6.393 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.311 -5.308 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.080 -5.798 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.766 -3.520 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.186 -4.477 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.378 -4.001 -10.637 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.313 -9.838 -8.028 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.930 -9.878 -7.603 1.00 0.00 C ATOM 1037 C ASN A 67 -1.657 -11.119 -6.755 1.00 0.00 C ATOM 1038 O ASN A 67 -0.516 -11.386 -6.379 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.615 -8.617 -6.806 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.727 -7.360 -7.647 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -1.028 -7.205 -8.649 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.608 -6.454 -7.242 1.00 0.00 N ATOM 0 H ASN A 67 -3.899 -9.200 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.290 -9.926 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.297 -8.546 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.607 -8.690 -6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.727 -5.588 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.166 -6.624 -6.406 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.714 -11.876 -6.460 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.601 -13.091 -5.663 1.00 0.00 C ATOM 1051 C GLU A 68 -2.206 -12.774 -4.225 1.00 0.00 C ATOM 1052 O GLU A 68 -1.384 -13.471 -3.631 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.584 -14.049 -6.288 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.921 -14.441 -7.717 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.890 -15.374 -8.323 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.290 -14.975 -8.411 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -1.263 -16.501 -8.710 1.00 0.00 O ATOM 0 H GLU A 68 -3.664 -11.664 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.579 -13.572 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.599 -13.583 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.522 -14.950 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.898 -14.923 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.996 -13.542 -8.329 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.797 -11.722 -3.661 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.496 -11.334 -2.291 1.00 0.00 C ATOM 1066 C VAL A 69 -3.704 -11.547 -1.385 1.00 0.00 C ATOM 1067 O VAL A 69 -4.601 -10.706 -1.322 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.053 -9.863 -2.209 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.639 -9.508 -0.791 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.920 -9.593 -3.188 1.00 0.00 C ATOM 0 H VAL A 69 -3.482 -11.129 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.676 -11.968 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.898 -9.231 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.329 -8.464 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.482 -9.661 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.809 -10.144 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.619 -8.548 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.071 -10.232 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.257 -9.805 -4.203 1.00 0.00 H new ATOM 1080 N SER A 70 -3.720 -12.675 -0.682 1.00 0.00 N ATOM 1081 CA SER A 70 -4.816 -12.997 0.223 1.00 0.00 C ATOM 1082 C SER A 70 -4.349 -12.979 1.674 1.00 0.00 C ATOM 1083 O SER A 70 -4.896 -13.687 2.522 1.00 0.00 O ATOM 1084 CB SER A 70 -5.400 -14.369 -0.116 1.00 0.00 C ATOM 1085 OG SER A 70 -4.424 -15.388 0.027 1.00 0.00 O ATOM 0 H SER A 70 -2.985 -13.381 -0.722 1.00 0.00 H new ATOM 0 HA SER A 70 -5.589 -12.238 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.247 -14.578 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.778 -14.364 -1.138 1.00 0.00 H new ATOM 0 HG SER A 70 -4.822 -16.256 -0.194 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.337 -12.165 1.957 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.797 -12.055 3.305 1.00 0.00 C ATOM 1093 C ALA A 71 -3.721 -11.225 4.194 1.00 0.00 C ATOM 1094 O ALA A 71 -4.927 -11.172 3.959 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.405 -11.451 3.262 1.00 0.00 C ATOM 0 H ALA A 71 -2.874 -11.571 1.268 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.729 -13.055 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.011 -11.373 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.751 -12.087 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.453 -10.458 2.814 1.00 0.00 H new ATOM 1101 N MET A 72 -3.160 -10.582 5.219 1.00 0.00 N ATOM 1102 CA MET A 72 -3.968 -9.772 6.121 1.00 0.00 C ATOM 1103 C MET A 72 -3.117 -8.988 7.120 1.00 0.00 C ATOM 1104 O MET A 72 -2.985 -9.391 8.275 1.00 0.00 O ATOM 1105 CB MET A 72 -4.941 -10.668 6.888 1.00 0.00 C ATOM 1106 CG MET A 72 -4.262 -11.815 7.623 1.00 0.00 C ATOM 1107 SD MET A 72 -5.356 -12.641 8.792 1.00 0.00 S ATOM 1108 CE MET A 72 -4.256 -13.885 9.462 1.00 0.00 C ATOM 0 H MET A 72 -2.165 -10.607 5.440 1.00 0.00 H new ATOM 0 HA MET A 72 -4.511 -9.053 5.508 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.491 -10.061 7.607 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.672 -11.077 6.191 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.899 -12.542 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.390 -11.434 8.155 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.789 -14.481 10.203 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.907 -14.533 8.658 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.401 -13.399 9.933 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.522 -7.849 6.713 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.614 -7.282 5.365 1.00 0.00 C ATOM 1120 C PRO A 73 -1.409 -7.641 4.486 1.00 0.00 C ATOM 1121 O PRO A 73 -0.724 -8.635 4.729 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.584 -5.800 5.703 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.532 -5.734 6.750 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.690 -6.991 7.573 1.00 0.00 C ATOM 0 HA PRO A 73 -3.477 -7.634 4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.333 -5.190 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.547 -5.448 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.539 -5.681 6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.651 -4.844 7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.727 -7.453 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.173 -6.789 8.529 1.00 0.00 H new ATOM 1132 N THR A 74 -1.146 -6.806 3.477 1.00 0.00 N ATOM 1133 CA THR A 74 -0.016 -7.004 2.570 1.00 0.00 C ATOM 1134 C THR A 74 0.465 -5.659 2.033 1.00 0.00 C ATOM 1135 O THR A 74 -0.334 -4.743 1.845 1.00 0.00 O ATOM 1136 CB THR A 74 -0.408 -7.906 1.403 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.865 -9.163 1.866 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.732 -8.157 0.434 1.00 0.00 C ATOM 0 H THR A 74 -1.707 -5.980 3.268 1.00 0.00 H new ATOM 0 HA THR A 74 0.788 -7.483 3.129 1.00 0.00 H new ATOM 0 HB THR A 74 -1.200 -7.371 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.840 -9.140 1.966 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.388 -8.805 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.071 -7.208 0.018 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.557 -8.638 0.959 1.00 0.00 H new ATOM 1146 N LEU A 75 1.766 -5.536 1.787 1.00 0.00 N ATOM 1147 CA LEU A 75 2.319 -4.288 1.278 1.00 0.00 C ATOM 1148 C LEU A 75 2.770 -4.428 -0.171 1.00 0.00 C ATOM 1149 O LEU A 75 3.608 -5.268 -0.494 1.00 0.00 O ATOM 1150 CB LEU A 75 3.495 -3.846 2.141 1.00 0.00 C ATOM 1151 CG LEU A 75 3.169 -3.628 3.617 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.420 -3.243 4.384 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.093 -2.565 3.773 1.00 0.00 C ATOM 0 H LEU A 75 2.450 -6.278 1.931 1.00 0.00 H new ATOM 0 HA LEU A 75 1.532 -3.535 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.283 -4.595 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.897 -2.919 1.733 1.00 0.00 H new ATOM 0 HG LEU A 75 2.788 -4.562 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.171 -3.091 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.159 -4.040 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.830 -2.321 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.873 -2.422 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.445 -1.626 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.189 -2.884 3.254 1.00 0.00 H new ATOM 1165 N LEU A 76 2.215 -3.585 -1.036 1.00 0.00 N ATOM 1166 CA LEU A 76 2.564 -3.596 -2.452 1.00 0.00 C ATOM 1167 C LEU A 76 3.133 -2.244 -2.871 1.00 0.00 C ATOM 1168 O LEU A 76 2.510 -1.205 -2.656 1.00 0.00 O ATOM 1169 CB LEU A 76 1.340 -3.945 -3.304 1.00 0.00 C ATOM 1170 CG LEU A 76 0.769 -5.350 -3.079 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.259 -5.690 -4.149 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.882 -6.387 -3.060 1.00 0.00 C ATOM 0 H LEU A 76 1.520 -2.884 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 76 3.326 -4.359 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.556 -3.215 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.608 -3.843 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 76 0.272 -5.363 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.652 -6.691 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.075 -4.968 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.213 -5.655 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.454 -7.377 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.411 -6.371 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.579 -6.158 -2.254 1.00 0.00 H new ATOM 1184 N LEU A 77 4.324 -2.264 -3.464 1.00 0.00 N ATOM 1185 CA LEU A 77 4.980 -1.036 -3.903 1.00 0.00 C ATOM 1186 C LEU A 77 5.000 -0.947 -5.427 1.00 0.00 C ATOM 1187 O LEU A 77 5.071 -1.966 -6.115 1.00 0.00 O ATOM 1188 CB LEU A 77 6.403 -0.966 -3.348 1.00 0.00 C ATOM 1189 CG LEU A 77 6.508 -0.963 -1.821 1.00 0.00 C ATOM 1190 CD1 LEU A 77 5.986 -2.268 -1.240 1.00 0.00 C ATOM 1191 CD2 LEU A 77 7.946 -0.724 -1.387 1.00 0.00 C ATOM 0 H LEU A 77 4.853 -3.115 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 77 4.412 -0.189 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.968 -1.815 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.881 -0.064 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 77 5.891 -0.150 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.071 -2.242 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.940 -2.398 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.572 -3.100 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.002 -0.725 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.582 -1.515 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.285 0.240 -1.767 1.00 0.00 H new ATOM 1203 N PHE A 78 4.922 0.276 -5.946 1.00 0.00 N ATOM 1204 CA PHE A 78 4.907 0.499 -7.389 1.00 0.00 C ATOM 1205 C PHE A 78 5.570 1.830 -7.754 1.00 0.00 C ATOM 1206 O PHE A 78 5.187 2.875 -7.229 1.00 0.00 O ATOM 1207 CB PHE A 78 3.453 0.525 -7.869 1.00 0.00 C ATOM 1208 CG PHE A 78 2.640 -0.654 -7.411 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.843 -1.915 -7.949 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.672 -0.498 -6.430 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.096 -2.996 -7.520 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.923 -1.575 -5.998 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.133 -2.824 -6.541 1.00 0.00 C ATOM 0 H PHE A 78 4.868 1.128 -5.388 1.00 0.00 H new ATOM 0 HA PHE A 78 5.463 -0.307 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.980 1.440 -7.514 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.441 0.561 -8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.594 -2.055 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.502 0.477 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.264 -3.973 -7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.172 -1.438 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.548 -3.666 -6.203 1.00 0.00 H new ATOM 1223 N LYS A 79 6.549 1.808 -8.666 1.00 0.00 N ATOM 1224 CA LYS A 79 7.207 3.055 -9.077 1.00 0.00 C ATOM 1225 C LYS A 79 6.950 3.363 -10.550 1.00 0.00 C ATOM 1226 O LYS A 79 6.957 2.466 -11.393 1.00 0.00 O ATOM 1227 CB LYS A 79 8.715 3.012 -8.814 1.00 0.00 C ATOM 1228 CG LYS A 79 9.080 3.050 -7.337 1.00 0.00 C ATOM 1229 CD LYS A 79 10.576 3.241 -7.133 1.00 0.00 C ATOM 1230 CE LYS A 79 11.045 4.590 -7.656 1.00 0.00 C ATOM 1231 NZ LYS A 79 12.502 4.797 -7.431 1.00 0.00 N ATOM 0 H LYS A 79 6.897 0.965 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 79 6.773 3.851 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.126 2.105 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.187 3.856 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.539 3.861 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.763 2.123 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.812 3.159 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.118 2.444 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.829 4.661 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.485 5.385 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.731 5.805 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.751 4.492 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.043 4.239 -8.122 1.00 0.00 H new ATOM 1245 N ASN A 80 6.725 4.645 -10.855 1.00 0.00 N ATOM 1246 CA ASN A 80 6.469 5.078 -12.228 1.00 0.00 C ATOM 1247 C ASN A 80 5.400 4.216 -12.901 1.00 0.00 C ATOM 1248 O ASN A 80 5.605 3.698 -13.996 1.00 0.00 O ATOM 1249 CB ASN A 80 7.762 5.040 -13.046 1.00 0.00 C ATOM 1250 CG ASN A 80 8.823 5.971 -12.489 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.272 5.810 -11.355 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.225 6.953 -13.287 1.00 0.00 N ATOM 0 H ASN A 80 6.715 5.399 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 80 6.098 6.102 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.149 4.021 -13.063 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.545 5.316 -14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.934 7.612 -12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.825 7.048 -14.220 1.00 0.00 H new ATOM 1259 N GLY A 81 4.258 4.076 -12.237 1.00 0.00 N ATOM 1260 CA GLY A 81 3.168 3.283 -12.776 1.00 0.00 C ATOM 1261 C GLY A 81 3.572 1.849 -13.060 1.00 0.00 C ATOM 1262 O GLY A 81 2.904 1.147 -13.822 1.00 0.00 O ATOM 0 H GLY A 81 4.067 4.500 -11.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.337 3.289 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.809 3.744 -13.696 1.00 0.00 H new ATOM 1266 N LYS A 82 4.661 1.413 -12.441 1.00 0.00 N ATOM 1267 CA LYS A 82 5.155 0.056 -12.615 1.00 0.00 C ATOM 1268 C LYS A 82 5.236 -0.642 -11.261 1.00 0.00 C ATOM 1269 O LYS A 82 4.532 -0.274 -10.328 1.00 0.00 O ATOM 1270 CB LYS A 82 6.526 0.080 -13.308 1.00 0.00 C ATOM 1271 CG LYS A 82 6.496 0.719 -14.687 1.00 0.00 C ATOM 1272 CD LYS A 82 7.871 0.712 -15.337 1.00 0.00 C ATOM 1273 CE LYS A 82 8.391 -0.703 -15.529 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.727 -0.717 -16.188 1.00 0.00 N ATOM 0 H LYS A 82 5.222 1.985 -11.810 1.00 0.00 H new ATOM 0 HA LYS A 82 4.466 -0.503 -13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.233 0.623 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.897 -0.941 -13.397 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.790 0.183 -15.322 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.137 1.745 -14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.821 1.216 -16.302 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.569 1.276 -14.719 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.458 -1.200 -14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.683 -1.272 -16.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.048 -1.700 -16.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.658 -0.265 -17.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.409 -0.196 -15.601 1.00 0.00 H new ATOM 1288 N GLU A 83 6.087 -1.644 -11.160 1.00 0.00 N ATOM 1289 CA GLU A 83 6.250 -2.388 -9.921 1.00 0.00 C ATOM 1290 C GLU A 83 7.604 -2.048 -9.299 1.00 0.00 C ATOM 1291 O GLU A 83 8.362 -1.267 -9.872 1.00 0.00 O ATOM 1292 CB GLU A 83 6.134 -3.891 -10.227 1.00 0.00 C ATOM 1293 CG GLU A 83 6.210 -4.805 -9.014 1.00 0.00 C ATOM 1294 CD GLU A 83 5.836 -6.239 -9.340 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.519 -6.518 -10.516 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.857 -7.082 -8.419 1.00 0.00 O ATOM 0 H GLU A 83 6.681 -1.965 -11.925 1.00 0.00 H new ATOM 0 HA GLU A 83 5.474 -2.118 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.188 -4.070 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.928 -4.167 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.221 -4.780 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.545 -4.428 -8.237 1.00 0.00 H new ATOM 1303 N VAL A 84 7.893 -2.613 -8.128 1.00 0.00 N ATOM 1304 CA VAL A 84 9.159 -2.368 -7.437 1.00 0.00 C ATOM 1305 C VAL A 84 9.378 -3.367 -6.310 1.00 0.00 C ATOM 1306 O VAL A 84 10.456 -3.949 -6.188 1.00 0.00 O ATOM 1307 CB VAL A 84 9.251 -0.944 -6.861 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.527 0.063 -7.962 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.981 -0.589 -6.105 1.00 0.00 C ATOM 0 H VAL A 84 7.264 -3.247 -7.635 1.00 0.00 H new ATOM 0 HA VAL A 84 9.936 -2.487 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 84 10.083 -0.911 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.588 1.063 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.471 -0.181 -8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.721 0.031 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.066 0.422 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.128 -0.641 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.837 -1.292 -5.285 1.00 0.00 H new ATOM 1319 N ALA A 85 8.356 -3.563 -5.482 1.00 0.00 N ATOM 1320 CA ALA A 85 8.462 -4.495 -4.367 1.00 0.00 C ATOM 1321 C ALA A 85 7.092 -4.855 -3.804 1.00 0.00 C ATOM 1322 O ALA A 85 6.072 -4.304 -4.217 1.00 0.00 O ATOM 1323 CB ALA A 85 9.343 -3.909 -3.275 1.00 0.00 C ATOM 0 H ALA A 85 7.454 -3.094 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 85 8.918 -5.412 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.414 -4.615 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.339 -3.717 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.908 -2.975 -2.919 1.00 0.00 H new ATOM 1329 N LYS A 86 7.084 -5.785 -2.855 1.00 0.00 N ATOM 1330 CA LYS A 86 5.848 -6.230 -2.224 1.00 0.00 C ATOM 1331 C LYS A 86 6.148 -7.111 -1.015 1.00 0.00 C ATOM 1332 O LYS A 86 6.713 -8.196 -1.152 1.00 0.00 O ATOM 1333 CB LYS A 86 4.983 -6.992 -3.228 1.00 0.00 C ATOM 1334 CG LYS A 86 5.697 -8.163 -3.885 1.00 0.00 C ATOM 1335 CD LYS A 86 4.801 -8.871 -4.889 1.00 0.00 C ATOM 1336 CE LYS A 86 3.555 -9.435 -4.225 1.00 0.00 C ATOM 1337 NZ LYS A 86 3.891 -10.416 -3.155 1.00 0.00 N ATOM 0 H LYS A 86 7.924 -6.247 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 86 5.301 -5.350 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.091 -7.360 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.647 -6.302 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.597 -7.807 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.018 -8.870 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.511 -8.173 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.356 -9.678 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.970 -8.620 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.930 -9.917 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.028 -10.913 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.579 -11.105 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.301 -9.915 -2.341 1.00 0.00 H new ATOM 1351 N VAL A 87 5.770 -6.640 0.170 1.00 0.00 N ATOM 1352 CA VAL A 87 6.006 -7.394 1.394 1.00 0.00 C ATOM 1353 C VAL A 87 4.706 -7.657 2.150 1.00 0.00 C ATOM 1354 O VAL A 87 4.161 -6.770 2.806 1.00 0.00 O ATOM 1355 CB VAL A 87 7.009 -6.677 2.323 1.00 0.00 C ATOM 1356 CG1 VAL A 87 6.501 -5.305 2.737 1.00 0.00 C ATOM 1357 CG2 VAL A 87 7.321 -7.532 3.545 1.00 0.00 C ATOM 0 H VAL A 87 5.302 -5.744 0.307 1.00 0.00 H new ATOM 0 HA VAL A 87 6.435 -8.349 1.091 1.00 0.00 H new ATOM 0 HB VAL A 87 7.933 -6.531 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.232 -4.828 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.352 -4.689 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.555 -5.412 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.030 -7.007 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.402 -7.722 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.754 -8.480 3.225 1.00 0.00 H new ATOM 1367 N VAL A 88 4.221 -8.889 2.053 1.00 0.00 N ATOM 1368 CA VAL A 88 2.994 -9.284 2.730 1.00 0.00 C ATOM 1369 C VAL A 88 3.126 -9.107 4.240 1.00 0.00 C ATOM 1370 O VAL A 88 3.515 -10.031 4.954 1.00 0.00 O ATOM 1371 CB VAL A 88 2.624 -10.747 2.398 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.846 -11.651 2.515 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.510 -11.248 3.303 1.00 0.00 C ATOM 0 H VAL A 88 4.661 -9.633 1.511 1.00 0.00 H new ATOM 0 HA VAL A 88 2.195 -8.636 2.371 1.00 0.00 H new ATOM 0 HB VAL A 88 2.266 -10.775 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.564 -12.677 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.615 -11.315 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.234 -11.608 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.270 -12.280 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.835 -11.198 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.625 -10.626 3.169 1.00 0.00 H new ATOM 1383 N GLY A 89 2.799 -7.910 4.716 1.00 0.00 N ATOM 1384 CA GLY A 89 2.884 -7.621 6.134 1.00 0.00 C ATOM 1385 C GLY A 89 2.979 -6.133 6.410 1.00 0.00 C ATOM 1386 O GLY A 89 2.171 -5.354 5.909 1.00 0.00 O ATOM 0 H GLY A 89 2.475 -7.132 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.008 -8.027 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.756 -8.123 6.554 1.00 0.00 H new ATOM 1390 N ALA A 90 3.972 -5.743 7.210 1.00 0.00 N ATOM 1391 CA ALA A 90 4.192 -4.338 7.564 1.00 0.00 C ATOM 1392 C ALA A 90 5.004 -4.222 8.846 1.00 0.00 C ATOM 1393 O ALA A 90 4.738 -3.361 9.686 1.00 0.00 O ATOM 1394 CB ALA A 90 2.869 -3.596 7.719 1.00 0.00 C ATOM 0 H ALA A 90 4.643 -6.387 7.629 1.00 0.00 H new ATOM 0 HA ALA A 90 4.753 -3.879 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.064 -2.556 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.317 -3.636 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.279 -4.065 8.507 1.00 0.00 H new ATOM 1400 N ASN A 91 5.996 -5.093 8.994 1.00 0.00 N ATOM 1401 CA ASN A 91 6.842 -5.091 10.160 1.00 0.00 C ATOM 1402 C ASN A 91 7.762 -3.874 10.158 1.00 0.00 C ATOM 1403 O ASN A 91 8.288 -3.487 9.114 1.00 0.00 O ATOM 1404 CB ASN A 91 7.655 -6.377 10.177 1.00 0.00 C ATOM 1405 CG ASN A 91 8.568 -6.504 8.974 1.00 0.00 C ATOM 1406 OD1 ASN A 91 9.460 -5.682 8.770 1.00 0.00 O ATOM 1407 ND2 ASN A 91 8.348 -7.538 8.170 1.00 0.00 N ATOM 0 H ASN A 91 6.228 -5.812 8.309 1.00 0.00 H new ATOM 0 HA ASN A 91 6.225 -5.036 11.057 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.253 -6.413 11.088 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.978 -7.231 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.931 -7.675 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.596 -8.195 8.378 1.00 0.00 H new ATOM 1414 N PRO A 92 7.968 -3.249 11.328 1.00 0.00 N ATOM 1415 CA PRO A 92 8.827 -2.065 11.456 1.00 0.00 C ATOM 1416 C PRO A 92 10.198 -2.244 10.809 1.00 0.00 C ATOM 1417 O PRO A 92 10.897 -1.267 10.548 1.00 0.00 O ATOM 1418 CB PRO A 92 8.969 -1.904 12.969 1.00 0.00 C ATOM 1419 CG PRO A 92 7.704 -2.465 13.508 1.00 0.00 C ATOM 1420 CD PRO A 92 7.376 -3.635 12.624 1.00 0.00 C ATOM 0 HA PRO A 92 8.398 -1.200 10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.838 -2.442 13.348 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.094 -0.858 13.250 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.824 -2.778 14.545 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.906 -1.723 13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.807 -4.561 13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.300 -3.792 12.545 1.00 0.00 H new ATOM 1428 N ALA A 93 10.588 -3.493 10.567 1.00 0.00 N ATOM 1429 CA ALA A 93 11.886 -3.779 9.967 1.00 0.00 C ATOM 1430 C ALA A 93 11.784 -4.077 8.471 1.00 0.00 C ATOM 1431 O ALA A 93 12.678 -4.702 7.902 1.00 0.00 O ATOM 1432 CB ALA A 93 12.548 -4.943 10.688 1.00 0.00 C ATOM 0 H ALA A 93 10.026 -4.318 10.776 1.00 0.00 H new ATOM 0 HA ALA A 93 12.497 -2.883 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.517 -5.149 10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.687 -4.688 11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.915 -5.827 10.610 1.00 0.00 H new ATOM 1438 N ALA A 94 10.706 -3.627 7.830 1.00 0.00 N ATOM 1439 CA ALA A 94 10.540 -3.863 6.399 1.00 0.00 C ATOM 1440 C ALA A 94 9.713 -2.775 5.740 1.00 0.00 C ATOM 1441 O ALA A 94 10.195 -2.086 4.841 1.00 0.00 O ATOM 1442 CB ALA A 94 9.929 -5.233 6.144 1.00 0.00 C ATOM 0 H ALA A 94 9.948 -3.106 8.270 1.00 0.00 H new ATOM 0 HA ALA A 94 11.532 -3.837 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.815 -5.386 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.581 -6.004 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.952 -5.291 6.625 1.00 0.00 H new ATOM 1448 N ILE A 95 8.477 -2.606 6.185 1.00 0.00 N ATOM 1449 CA ILE A 95 7.613 -1.579 5.626 1.00 0.00 C ATOM 1450 C ILE A 95 8.316 -0.219 5.602 1.00 0.00 C ATOM 1451 O ILE A 95 7.872 0.701 4.916 1.00 0.00 O ATOM 1452 CB ILE A 95 6.298 -1.472 6.426 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.429 -0.317 5.917 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.596 -1.300 7.908 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.145 -0.361 4.431 1.00 0.00 C ATOM 0 H ILE A 95 8.052 -3.163 6.927 1.00 0.00 H new ATOM 0 HA ILE A 95 7.381 -1.869 4.601 1.00 0.00 H new ATOM 0 HB ILE A 95 5.740 -2.397 6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.482 -0.325 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.923 0.626 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.660 -1.226 8.461 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.163 -2.159 8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.179 -0.392 8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.525 0.491 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.084 -0.320 3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.621 -1.285 4.188 1.00 0.00 H new ATOM 1467 N LYS A 96 9.420 -0.096 6.344 1.00 0.00 N ATOM 1468 CA LYS A 96 10.170 1.154 6.378 1.00 0.00 C ATOM 1469 C LYS A 96 11.271 1.148 5.330 1.00 0.00 C ATOM 1470 O LYS A 96 11.507 2.149 4.652 1.00 0.00 O ATOM 1471 CB LYS A 96 10.733 1.422 7.778 1.00 0.00 C ATOM 1472 CG LYS A 96 11.792 0.435 8.239 1.00 0.00 C ATOM 1473 CD LYS A 96 13.191 0.883 7.846 1.00 0.00 C ATOM 1474 CE LYS A 96 14.258 0.098 8.595 1.00 0.00 C ATOM 1475 NZ LYS A 96 14.191 0.335 10.064 1.00 0.00 N ATOM 0 H LYS A 96 9.808 -0.841 6.923 1.00 0.00 H new ATOM 0 HA LYS A 96 9.485 1.968 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.159 2.425 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.910 1.411 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.737 0.322 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.589 -0.545 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.328 0.753 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.306 1.947 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.135 -0.966 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.244 0.381 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.111 0.110 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.960 1.333 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.456 -0.272 10.480 1.00 0.00 H new ATOM 1489 N GLN A 97 11.937 0.009 5.195 1.00 0.00 N ATOM 1490 CA GLN A 97 13.009 -0.137 4.222 1.00 0.00 C ATOM 1491 C GLN A 97 12.431 -0.298 2.825 1.00 0.00 C ATOM 1492 O GLN A 97 13.028 0.133 1.839 1.00 0.00 O ATOM 1493 CB GLN A 97 13.884 -1.346 4.557 1.00 0.00 C ATOM 1494 CG GLN A 97 14.437 -1.327 5.969 1.00 0.00 C ATOM 1495 CD GLN A 97 15.325 -2.519 6.266 1.00 0.00 C ATOM 1496 OE1 GLN A 97 14.888 -3.667 6.188 1.00 0.00 O ATOM 1497 NE2 GLN A 97 16.580 -2.254 6.608 1.00 0.00 N ATOM 0 H GLN A 97 11.753 -0.828 5.748 1.00 0.00 H new ATOM 0 HA GLN A 97 13.624 0.762 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.300 -2.256 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.714 -1.389 3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.005 -0.409 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.610 -1.310 6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.901 -1.287 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.223 -3.017 6.818 1.00 0.00 H new ATOM 1506 N ALA A 98 11.259 -0.922 2.751 1.00 0.00 N ATOM 1507 CA ALA A 98 10.596 -1.137 1.474 1.00 0.00 C ATOM 1508 C ALA A 98 10.254 0.195 0.819 1.00 0.00 C ATOM 1509 O ALA A 98 10.254 0.318 -0.405 1.00 0.00 O ATOM 1510 CB ALA A 98 9.342 -1.975 1.664 1.00 0.00 C ATOM 0 H ALA A 98 10.752 -1.285 3.558 1.00 0.00 H new ATOM 0 HA ALA A 98 11.277 -1.677 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.857 -2.127 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.611 -2.941 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.658 -1.458 2.337 1.00 0.00 H new ATOM 1516 N ILE A 99 9.964 1.188 1.651 1.00 0.00 N ATOM 1517 CA ILE A 99 9.616 2.518 1.171 1.00 0.00 C ATOM 1518 C ILE A 99 10.857 3.398 1.029 1.00 0.00 C ATOM 1519 O ILE A 99 10.807 4.461 0.411 1.00 0.00 O ATOM 1520 CB ILE A 99 8.618 3.198 2.128 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.435 2.269 2.401 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.134 4.521 1.546 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.415 2.853 3.353 1.00 0.00 C ATOM 0 H ILE A 99 9.963 1.095 2.667 1.00 0.00 H new ATOM 0 HA ILE A 99 9.155 2.399 0.191 1.00 0.00 H new ATOM 0 HB ILE A 99 9.125 3.405 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.945 2.032 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.808 1.331 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.430 4.986 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.985 5.185 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.640 4.340 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.604 2.139 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.891 3.065 4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.014 3.776 2.935 1.00 0.00 H new ATOM 1535 N ALA A 100 11.972 2.950 1.604 1.00 0.00 N ATOM 1536 CA ALA A 100 13.221 3.699 1.539 1.00 0.00 C ATOM 1537 C ALA A 100 14.043 3.295 0.320 1.00 0.00 C ATOM 1538 O ALA A 100 14.161 4.053 -0.642 1.00 0.00 O ATOM 1539 CB ALA A 100 14.027 3.489 2.813 1.00 0.00 C ATOM 0 H ALA A 100 12.034 2.072 2.119 1.00 0.00 H new ATOM 0 HA ALA A 100 12.976 4.757 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.957 4.054 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.449 3.834 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.253 2.429 2.930 1.00 0.00 H new ATOM 1545 N ALA A 101 14.612 2.093 0.371 1.00 0.00 N ATOM 1546 CA ALA A 101 15.426 1.582 -0.726 1.00 0.00 C ATOM 1547 C ALA A 101 14.720 1.756 -2.066 1.00 0.00 C ATOM 1548 O ALA A 101 15.364 1.906 -3.104 1.00 0.00 O ATOM 1549 CB ALA A 101 15.764 0.117 -0.492 1.00 0.00 C ATOM 0 H ALA A 101 14.523 1.455 1.162 1.00 0.00 H new ATOM 0 HA ALA A 101 16.351 2.159 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.372 -0.253 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.319 0.016 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.843 -0.464 -0.431 1.00 0.00 H new ATOM 1555 N ASN A 102 13.391 1.734 -2.037 1.00 0.00 N ATOM 1556 CA ASN A 102 12.599 1.889 -3.239 1.00 0.00 C ATOM 1557 C ASN A 102 12.411 3.364 -3.580 1.00 0.00 C ATOM 1558 O ASN A 102 12.494 3.757 -4.744 1.00 0.00 O ATOM 1559 CB ASN A 102 11.243 1.217 -3.041 1.00 0.00 C ATOM 1560 CG ASN A 102 11.326 -0.302 -2.927 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.303 -0.969 -2.764 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.531 -0.864 -3.010 1.00 0.00 N ATOM 0 H ASN A 102 12.843 1.609 -1.186 1.00 0.00 H new ATOM 0 HA ASN A 102 13.123 1.416 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.777 1.616 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.593 1.475 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.627 -1.877 -2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.357 -0.281 -3.145 1.00 0.00 H new ATOM 1569 N ALA A 103 12.157 4.177 -2.560 1.00 0.00 N ATOM 1570 CA ALA A 103 11.959 5.609 -2.755 1.00 0.00 C ATOM 1571 C ALA A 103 13.179 6.249 -3.407 1.00 0.00 C ATOM 1572 O ALA A 103 13.085 7.429 -3.803 1.00 0.00 O ATOM 1573 CB ALA A 103 11.653 6.287 -1.427 1.00 0.00 C ATOM 1574 OXT ALA A 103 14.219 5.564 -3.515 1.00 0.00 O ATOM 0 H ALA A 103 12.083 3.869 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 103 11.109 5.744 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.508 7.355 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.747 5.858 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.485 6.134 -0.740 1.00 0.00 H new TER 1580 ALA A 103