USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 37 GLN : amide:sc= 0.299 X(o=0.3,f=-0.013) USER MOD Single : A 39 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.2!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 160:sc= -0.301 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 62 THR OG1 : rot -18:sc= 0.448 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.382 (180deg=-1.64!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 170:sc= -0.0886 USER MOD Single : A 74 CYS SG : rot 60:sc= -0.797! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 148:sc= -1.08 (180deg=-4.68!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -6.565 15.231 4.665 1.00 0.00 N ATOM 30 CA ASP A 31 -7.693 14.451 5.245 1.00 0.00 C ATOM 31 C ASP A 31 -7.221 13.031 5.567 1.00 0.00 C ATOM 32 O ASP A 31 -7.635 12.435 6.541 1.00 0.00 O ATOM 33 CB ASP A 31 -8.843 14.389 4.237 1.00 0.00 C ATOM 34 CG ASP A 31 -9.958 13.498 4.787 1.00 0.00 C ATOM 35 OD1 ASP A 31 -10.278 13.637 5.956 1.00 0.00 O ATOM 36 OD2 ASP A 31 -10.473 12.692 4.030 1.00 0.00 O ATOM 0 HA ASP A 31 -8.036 14.936 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.226 15.391 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.485 13.996 3.285 1.00 0.00 H new ATOM 41 N GLY A 32 -6.356 12.486 4.755 1.00 0.00 N ATOM 42 CA GLY A 32 -5.858 11.105 5.016 1.00 0.00 C ATOM 43 C GLY A 32 -4.547 10.883 4.260 1.00 0.00 C ATOM 44 O GLY A 32 -4.332 11.430 3.197 1.00 0.00 O ATOM 0 H GLY A 32 -5.973 12.936 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.703 10.959 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.601 10.373 4.699 1.00 0.00 H new ATOM 48 N VAL A 33 -3.668 10.085 4.801 1.00 0.00 N ATOM 49 CA VAL A 33 -2.372 9.828 4.113 1.00 0.00 C ATOM 50 C VAL A 33 -2.104 8.322 4.075 1.00 0.00 C ATOM 51 O VAL A 33 -2.449 7.597 4.987 1.00 0.00 O ATOM 52 CB VAL A 33 -1.244 10.527 4.874 1.00 0.00 C ATOM 53 CG1 VAL A 33 -1.476 12.039 4.857 1.00 0.00 C ATOM 54 CG2 VAL A 33 -1.224 10.031 6.322 1.00 0.00 C ATOM 0 H VAL A 33 -3.791 9.600 5.690 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.418 10.215 3.095 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.290 10.301 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.672 12.537 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.492 12.393 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.430 12.266 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.421 10.528 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.178 10.257 6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.059 8.954 6.335 1.00 0.00 H new ATOM 64 N VAL A 34 -1.492 7.845 3.026 1.00 0.00 N ATOM 65 CA VAL A 34 -1.204 6.386 2.931 1.00 0.00 C ATOM 66 C VAL A 34 0.305 6.157 3.035 1.00 0.00 C ATOM 67 O VAL A 34 1.093 7.071 2.898 1.00 0.00 O ATOM 68 CB VAL A 34 -1.709 5.853 1.589 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.747 4.324 1.628 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.118 6.390 1.326 1.00 0.00 C ATOM 0 H VAL A 34 -1.179 8.402 2.231 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.708 5.862 3.743 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.039 6.180 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.107 3.944 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.745 3.940 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.417 3.997 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.479 6.011 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.787 6.063 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.093 7.479 1.298 1.00 0.00 H new ATOM 80 N ARG A 35 0.714 4.941 3.277 1.00 0.00 N ATOM 81 CA ARG A 35 2.172 4.654 3.390 1.00 0.00 C ATOM 82 C ARG A 35 2.477 3.303 2.740 1.00 0.00 C ATOM 83 O ARG A 35 2.071 2.265 3.223 1.00 0.00 O ATOM 84 CB ARG A 35 2.570 4.611 4.867 1.00 0.00 C ATOM 85 CG ARG A 35 3.681 5.631 5.127 1.00 0.00 C ATOM 86 CD ARG A 35 3.942 5.729 6.631 1.00 0.00 C ATOM 87 NE ARG A 35 5.411 5.727 6.881 1.00 0.00 N ATOM 88 CZ ARG A 35 5.869 5.977 8.077 1.00 0.00 C ATOM 89 NH1 ARG A 35 5.982 5.011 8.947 1.00 0.00 N ATOM 90 NH2 ARG A 35 6.215 7.192 8.404 1.00 0.00 N ATOM 0 H ARG A 35 0.102 4.135 3.401 1.00 0.00 H new ATOM 0 HA ARG A 35 2.737 5.437 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.706 4.831 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.911 3.611 5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.592 5.333 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.394 6.606 4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.496 6.640 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.473 4.892 7.148 1.00 0.00 H new ATOM 0 HE ARG A 35 6.058 5.530 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.712 4.061 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.340 5.206 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.128 7.948 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.573 7.386 9.339 1.00 0.00 H new ATOM 104 N ILE A 36 3.190 3.308 1.647 1.00 0.00 N ATOM 105 CA ILE A 36 3.520 2.023 0.968 1.00 0.00 C ATOM 106 C ILE A 36 5.035 1.920 0.779 1.00 0.00 C ATOM 107 O ILE A 36 5.639 2.715 0.087 1.00 0.00 O ATOM 108 CB ILE A 36 2.832 1.977 -0.398 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.336 2.252 -0.223 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.025 0.594 -1.021 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.864 3.216 -1.314 1.00 0.00 C ATOM 0 H ILE A 36 3.558 4.145 1.195 1.00 0.00 H new ATOM 0 HA ILE A 36 3.172 1.190 1.579 1.00 0.00 H new ATOM 0 HB ILE A 36 3.269 2.733 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.775 1.319 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.147 2.679 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.535 0.562 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.090 0.396 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.588 -0.163 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.201 3.412 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.417 4.152 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.039 2.771 -2.293 1.00 0.00 H new ATOM 123 N GLN A 37 5.653 0.946 1.390 1.00 0.00 N ATOM 124 CA GLN A 37 7.128 0.793 1.245 1.00 0.00 C ATOM 125 C GLN A 37 7.495 -0.691 1.309 1.00 0.00 C ATOM 126 O GLN A 37 7.612 -1.266 2.373 1.00 0.00 O ATOM 127 CB GLN A 37 7.832 1.543 2.378 1.00 0.00 C ATOM 128 CG GLN A 37 7.179 1.182 3.713 1.00 0.00 C ATOM 129 CD GLN A 37 8.263 0.949 4.766 1.00 0.00 C ATOM 130 OE1 GLN A 37 8.606 1.845 5.512 1.00 0.00 O ATOM 131 NE2 GLN A 37 8.822 -0.227 4.860 1.00 0.00 N ATOM 0 H GLN A 37 5.200 0.250 1.983 1.00 0.00 H new ATOM 0 HA GLN A 37 7.444 1.204 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.891 1.284 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.770 2.618 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.513 1.984 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.568 0.286 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.535 -0.980 4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.546 -0.393 5.559 1.00 0.00 H new ATOM 140 N ARG A 38 7.678 -1.315 0.178 1.00 0.00 N ATOM 141 CA ARG A 38 8.037 -2.761 0.175 1.00 0.00 C ATOM 142 C ARG A 38 9.307 -2.974 1.001 1.00 0.00 C ATOM 143 O ARG A 38 10.323 -2.349 0.768 1.00 0.00 O ATOM 144 CB ARG A 38 8.281 -3.223 -1.264 1.00 0.00 C ATOM 145 CG ARG A 38 9.123 -2.179 -1.999 1.00 0.00 C ATOM 146 CD ARG A 38 10.044 -2.879 -3.001 1.00 0.00 C ATOM 147 NE ARG A 38 10.288 -1.979 -4.164 1.00 0.00 N ATOM 148 CZ ARG A 38 10.759 -2.467 -5.279 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.045 -2.634 -5.425 1.00 0.00 N ATOM 150 NH2 ARG A 38 9.945 -2.786 -6.247 1.00 0.00 N ATOM 0 H ARG A 38 7.594 -0.886 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 38 7.221 -3.338 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.793 -4.186 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.330 -3.366 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.474 -1.473 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.714 -1.605 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.989 -3.138 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.591 -3.811 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 38 10.087 -0.982 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.681 -2.383 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.414 -3.015 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.940 -2.654 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.313 -3.167 -7.118 1.00 0.00 H new ATOM 164 N GLN A 39 9.259 -3.851 1.966 1.00 0.00 N ATOM 165 CA GLN A 39 10.463 -4.103 2.806 1.00 0.00 C ATOM 166 C GLN A 39 11.010 -5.500 2.508 1.00 0.00 C ATOM 167 O GLN A 39 10.784 -6.437 3.248 1.00 0.00 O ATOM 168 CB GLN A 39 10.083 -4.008 4.285 1.00 0.00 C ATOM 169 CG GLN A 39 11.311 -4.304 5.148 1.00 0.00 C ATOM 170 CD GLN A 39 10.919 -5.248 6.287 1.00 0.00 C ATOM 171 OE1 GLN A 39 9.754 -5.388 6.602 1.00 0.00 O ATOM 172 NE2 GLN A 39 11.850 -5.907 6.921 1.00 0.00 N ATOM 0 H GLN A 39 8.437 -4.404 2.209 1.00 0.00 H new ATOM 0 HA GLN A 39 11.226 -3.358 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.699 -3.013 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.286 -4.716 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.095 -4.756 4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.716 -3.377 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.828 -5.790 6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.600 -6.540 7.681 1.00 0.00 H new ATOM 181 N THR A 40 11.727 -5.649 1.428 1.00 0.00 N ATOM 182 CA THR A 40 12.287 -6.986 1.083 1.00 0.00 C ATOM 183 C THR A 40 13.012 -7.565 2.300 1.00 0.00 C ATOM 184 O THR A 40 13.557 -6.843 3.111 1.00 0.00 O ATOM 185 CB THR A 40 13.274 -6.843 -0.078 1.00 0.00 C ATOM 186 OG1 THR A 40 14.427 -6.143 0.367 1.00 0.00 O ATOM 187 CG2 THR A 40 12.613 -6.068 -1.219 1.00 0.00 C ATOM 0 H THR A 40 11.949 -4.902 0.770 1.00 0.00 H new ATOM 0 HA THR A 40 11.477 -7.654 0.790 1.00 0.00 H new ATOM 0 HB THR A 40 13.563 -7.832 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.061 -6.052 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.316 -5.967 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.728 -6.606 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.323 -5.078 -0.866 1.00 0.00 H new ATOM 266 N LYS A 46 12.149 -11.795 -4.249 1.00 0.00 N ATOM 267 CA LYS A 46 10.735 -11.352 -4.090 1.00 0.00 C ATOM 268 C LYS A 46 10.646 -10.323 -2.962 1.00 0.00 C ATOM 269 O LYS A 46 11.530 -10.217 -2.134 1.00 0.00 O ATOM 270 CB LYS A 46 9.858 -12.559 -3.750 1.00 0.00 C ATOM 271 CG LYS A 46 8.734 -12.681 -4.780 1.00 0.00 C ATOM 272 CD LYS A 46 8.075 -14.056 -4.657 1.00 0.00 C ATOM 273 CE LYS A 46 7.010 -14.212 -5.744 1.00 0.00 C ATOM 274 NZ LYS A 46 6.378 -15.556 -5.631 1.00 0.00 N ATOM 0 HA LYS A 46 10.389 -10.901 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.459 -13.468 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.439 -12.447 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.994 -11.896 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.132 -12.545 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.826 -14.840 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.623 -14.167 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.254 -13.433 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.460 -14.092 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.654 -15.662 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.104 -16.292 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.935 -15.654 -4.695 1.00 0.00 H new ATOM 288 N GLY A 47 9.586 -9.563 -2.921 1.00 0.00 N ATOM 289 CA GLY A 47 9.442 -8.542 -1.846 1.00 0.00 C ATOM 290 C GLY A 47 7.971 -8.426 -1.444 1.00 0.00 C ATOM 291 O GLY A 47 7.080 -8.686 -2.229 1.00 0.00 O ATOM 0 H GLY A 47 8.814 -9.605 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.045 -8.821 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.812 -7.578 -2.194 1.00 0.00 H new ATOM 295 N VAL A 48 7.708 -8.039 -0.226 1.00 0.00 N ATOM 296 CA VAL A 48 6.294 -7.908 0.225 1.00 0.00 C ATOM 297 C VAL A 48 5.924 -6.426 0.316 1.00 0.00 C ATOM 298 O VAL A 48 6.773 -5.559 0.255 1.00 0.00 O ATOM 299 CB VAL A 48 6.135 -8.559 1.600 1.00 0.00 C ATOM 300 CG1 VAL A 48 6.476 -10.047 1.504 1.00 0.00 C ATOM 301 CG2 VAL A 48 7.082 -7.884 2.595 1.00 0.00 C ATOM 0 H VAL A 48 8.411 -7.808 0.476 1.00 0.00 H new ATOM 0 HA VAL A 48 5.637 -8.404 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 48 5.106 -8.443 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.363 -10.510 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.804 -10.529 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.505 -10.163 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.970 -8.347 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.111 -8.000 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.841 -6.823 2.665 1.00 0.00 H new ATOM 311 N CYS A 49 4.662 -6.127 0.460 1.00 0.00 N ATOM 312 CA CYS A 49 4.239 -4.701 0.553 1.00 0.00 C ATOM 313 C CYS A 49 3.350 -4.512 1.783 1.00 0.00 C ATOM 314 O CYS A 49 2.250 -5.024 1.851 1.00 0.00 O ATOM 315 CB CYS A 49 3.458 -4.318 -0.705 1.00 0.00 C ATOM 316 SG CYS A 49 4.533 -3.383 -1.822 1.00 0.00 S ATOM 0 H CYS A 49 3.905 -6.809 0.517 1.00 0.00 H new ATOM 0 HA CYS A 49 5.120 -4.065 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.089 -5.214 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.587 -3.721 -0.437 1.00 0.00 H new ATOM 0 HG CYS A 49 4.046 -3.423 -3.027 1.00 0.00 H new ATOM 322 N LEU A 50 3.816 -3.780 2.757 1.00 0.00 N ATOM 323 CA LEU A 50 2.995 -3.559 3.981 1.00 0.00 C ATOM 324 C LEU A 50 2.113 -2.324 3.789 1.00 0.00 C ATOM 325 O LEU A 50 2.511 -1.353 3.176 1.00 0.00 O ATOM 326 CB LEU A 50 3.919 -3.344 5.183 1.00 0.00 C ATOM 327 CG LEU A 50 4.494 -4.689 5.631 1.00 0.00 C ATOM 328 CD1 LEU A 50 5.992 -4.732 5.323 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.279 -4.858 7.137 1.00 0.00 C ATOM 0 H LEU A 50 4.729 -3.326 2.758 1.00 0.00 H new ATOM 0 HA LEU A 50 2.365 -4.431 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.726 -2.662 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.367 -2.882 6.001 1.00 0.00 H new ATOM 0 HG LEU A 50 3.990 -5.495 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.402 -5.690 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.147 -4.610 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.496 -3.926 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.688 -5.816 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.783 -4.052 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.212 -4.827 7.358 1.00 0.00 H new ATOM 341 N ILE A 51 0.916 -2.352 4.308 1.00 0.00 N ATOM 342 CA ILE A 51 0.008 -1.180 4.155 1.00 0.00 C ATOM 343 C ILE A 51 -0.509 -0.754 5.531 1.00 0.00 C ATOM 344 O ILE A 51 -1.319 -1.428 6.135 1.00 0.00 O ATOM 345 CB ILE A 51 -1.174 -1.564 3.263 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.688 -2.484 2.141 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.787 -0.301 2.656 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.392 -1.769 1.326 1.00 0.00 C ATOM 0 H ILE A 51 0.527 -3.136 4.832 1.00 0.00 H new ATOM 0 HA ILE A 51 0.554 -0.354 3.699 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.925 -2.082 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.290 -3.408 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.522 -2.760 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.629 -0.575 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.133 0.355 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.036 0.218 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.738 -2.424 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.022 -0.858 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.230 -1.515 1.976 1.00 0.00 H new ATOM 360 N THR A 52 -0.048 0.359 6.030 1.00 0.00 N ATOM 361 CA THR A 52 -0.514 0.826 7.366 1.00 0.00 C ATOM 362 C THR A 52 -0.355 2.345 7.460 1.00 0.00 C ATOM 363 O THR A 52 0.469 2.935 6.790 1.00 0.00 O ATOM 364 CB THR A 52 0.321 0.156 8.460 1.00 0.00 C ATOM 365 OG1 THR A 52 0.251 0.933 9.648 1.00 0.00 O ATOM 366 CG2 THR A 52 1.776 0.050 8.001 1.00 0.00 C ATOM 0 H THR A 52 0.631 0.966 5.571 1.00 0.00 H new ATOM 0 HA THR A 52 -1.563 0.563 7.497 1.00 0.00 H new ATOM 0 HB THR A 52 -0.068 -0.843 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.784 0.505 10.351 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.370 -0.427 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.828 -0.546 7.090 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.169 1.047 7.805 1.00 0.00 H new ATOM 374 N GLY A 53 -1.137 2.982 8.288 1.00 0.00 N ATOM 375 CA GLY A 53 -1.030 4.462 8.424 1.00 0.00 C ATOM 376 C GLY A 53 -2.328 5.115 7.946 1.00 0.00 C ATOM 377 O GLY A 53 -2.704 6.177 8.402 1.00 0.00 O ATOM 0 H GLY A 53 -1.845 2.542 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.838 4.729 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.188 4.831 7.839 1.00 0.00 H new ATOM 381 N VAL A 54 -3.016 4.488 7.031 1.00 0.00 N ATOM 382 CA VAL A 54 -4.289 5.074 6.525 1.00 0.00 C ATOM 383 C VAL A 54 -5.132 5.560 7.707 1.00 0.00 C ATOM 384 O VAL A 54 -5.655 4.775 8.473 1.00 0.00 O ATOM 385 CB VAL A 54 -5.066 4.010 5.748 1.00 0.00 C ATOM 386 CG1 VAL A 54 -6.284 4.652 5.082 1.00 0.00 C ATOM 387 CG2 VAL A 54 -4.161 3.401 4.675 1.00 0.00 C ATOM 0 H VAL A 54 -2.752 3.596 6.613 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.067 5.914 5.867 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.396 3.229 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.838 3.894 4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.929 5.087 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.955 5.433 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.714 2.643 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.831 4.183 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.292 2.943 5.148 1.00 0.00 H new ATOM 397 N ASP A 55 -5.268 6.849 7.860 1.00 0.00 N ATOM 398 CA ASP A 55 -6.076 7.383 8.992 1.00 0.00 C ATOM 399 C ASP A 55 -7.529 7.557 8.544 1.00 0.00 C ATOM 400 O ASP A 55 -7.984 8.655 8.292 1.00 0.00 O ATOM 401 CB ASP A 55 -5.511 8.737 9.426 1.00 0.00 C ATOM 402 CG ASP A 55 -4.375 8.520 10.427 1.00 0.00 C ATOM 403 OD1 ASP A 55 -4.058 7.372 10.693 1.00 0.00 O ATOM 404 OD2 ASP A 55 -3.842 9.504 10.911 1.00 0.00 O ATOM 0 H ASP A 55 -4.855 7.555 7.250 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.035 6.686 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.145 9.285 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.297 9.343 9.877 1.00 0.00 H new ATOM 409 N LEU A 56 -8.261 6.481 8.443 1.00 0.00 N ATOM 410 CA LEU A 56 -9.683 6.586 8.011 1.00 0.00 C ATOM 411 C LEU A 56 -10.599 6.172 9.165 1.00 0.00 C ATOM 412 O LEU A 56 -10.157 5.971 10.279 1.00 0.00 O ATOM 413 CB LEU A 56 -9.923 5.663 6.815 1.00 0.00 C ATOM 414 CG LEU A 56 -10.035 6.499 5.539 1.00 0.00 C ATOM 415 CD1 LEU A 56 -11.194 7.488 5.677 1.00 0.00 C ATOM 416 CD2 LEU A 56 -8.732 7.270 5.320 1.00 0.00 C ATOM 0 H LEU A 56 -7.936 5.535 8.641 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.900 7.615 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.105 4.949 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.835 5.085 6.965 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.217 5.842 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.274 8.084 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.123 6.940 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.012 8.146 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.810 7.866 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.551 7.927 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.905 6.567 5.222 1.00 0.00 H new ATOM 428 N ASP A 57 -11.871 6.042 8.908 1.00 0.00 N ATOM 429 CA ASP A 57 -12.813 5.640 9.990 1.00 0.00 C ATOM 430 C ASP A 57 -12.606 4.162 10.323 1.00 0.00 C ATOM 431 O ASP A 57 -12.114 3.817 11.379 1.00 0.00 O ATOM 432 CB ASP A 57 -14.253 5.860 9.520 1.00 0.00 C ATOM 433 CG ASP A 57 -15.121 6.275 10.709 1.00 0.00 C ATOM 434 OD1 ASP A 57 -14.758 7.227 11.379 1.00 0.00 O ATOM 435 OD2 ASP A 57 -16.135 5.632 10.930 1.00 0.00 O ATOM 0 H ASP A 57 -12.299 6.197 7.995 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.624 6.243 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.281 6.630 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.644 4.946 9.072 1.00 0.00 H new ATOM 440 N ASP A 58 -12.977 3.285 9.430 1.00 0.00 N ATOM 441 CA ASP A 58 -12.800 1.830 9.697 1.00 0.00 C ATOM 442 C ASP A 58 -13.287 1.027 8.489 1.00 0.00 C ATOM 443 O ASP A 58 -12.656 0.079 8.066 1.00 0.00 O ATOM 444 CB ASP A 58 -13.612 1.435 10.932 1.00 0.00 C ATOM 445 CG ASP A 58 -13.551 -0.082 11.120 1.00 0.00 C ATOM 446 OD1 ASP A 58 -12.474 -0.581 11.403 1.00 0.00 O ATOM 447 OD2 ASP A 58 -14.582 -0.719 10.979 1.00 0.00 O ATOM 0 H ASP A 58 -13.395 3.513 8.528 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.745 1.619 9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.218 1.938 11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.647 1.756 10.818 1.00 0.00 H new ATOM 452 N ALA A 59 -14.406 1.400 7.929 1.00 0.00 N ATOM 453 CA ALA A 59 -14.932 0.658 6.749 1.00 0.00 C ATOM 454 C ALA A 59 -14.143 1.057 5.501 1.00 0.00 C ATOM 455 O ALA A 59 -13.974 0.275 4.586 1.00 0.00 O ATOM 456 CB ALA A 59 -16.410 1.001 6.549 1.00 0.00 C ATOM 0 H ALA A 59 -14.978 2.186 8.238 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.826 -0.414 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.796 0.459 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.973 0.716 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.515 2.073 6.381 1.00 0.00 H new ATOM 462 N GLU A 60 -13.659 2.268 5.454 1.00 0.00 N ATOM 463 CA GLU A 60 -12.883 2.715 4.264 1.00 0.00 C ATOM 464 C GLU A 60 -11.666 1.806 4.076 1.00 0.00 C ATOM 465 O GLU A 60 -11.370 1.367 2.982 1.00 0.00 O ATOM 466 CB GLU A 60 -12.414 4.157 4.472 1.00 0.00 C ATOM 467 CG GLU A 60 -13.063 5.061 3.421 1.00 0.00 C ATOM 468 CD GLU A 60 -12.479 4.743 2.043 1.00 0.00 C ATOM 469 OE1 GLU A 60 -11.386 5.208 1.763 1.00 0.00 O ATOM 470 OE2 GLU A 60 -13.134 4.040 1.292 1.00 0.00 O ATOM 0 H GLU A 60 -13.768 2.967 6.189 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.516 2.663 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.680 4.496 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.328 4.212 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.143 4.911 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.888 6.108 3.669 1.00 0.00 H new ATOM 477 N LEU A 61 -10.959 1.519 5.134 1.00 0.00 N ATOM 478 CA LEU A 61 -9.762 0.638 5.014 1.00 0.00 C ATOM 479 C LEU A 61 -10.144 -0.640 4.264 1.00 0.00 C ATOM 480 O LEU A 61 -9.516 -1.011 3.292 1.00 0.00 O ATOM 481 CB LEU A 61 -9.251 0.278 6.410 1.00 0.00 C ATOM 482 CG LEU A 61 -7.869 0.896 6.623 1.00 0.00 C ATOM 483 CD1 LEU A 61 -8.002 2.174 7.453 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.973 -0.100 7.362 1.00 0.00 C ATOM 0 H LEU A 61 -11.158 1.856 6.076 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.979 1.161 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.945 0.642 7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.198 -0.805 6.521 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.427 1.136 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.016 2.614 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.640 2.885 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.445 1.935 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.988 0.340 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.416 -0.340 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.876 -1.011 6.771 1.00 0.00 H new ATOM 496 N THR A 62 -11.169 -1.315 4.707 1.00 0.00 N ATOM 497 CA THR A 62 -11.589 -2.568 4.018 1.00 0.00 C ATOM 498 C THR A 62 -11.894 -2.263 2.549 1.00 0.00 C ATOM 499 O THR A 62 -11.554 -3.023 1.664 1.00 0.00 O ATOM 500 CB THR A 62 -12.844 -3.125 4.694 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.828 -2.104 4.777 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.494 -3.616 6.099 1.00 0.00 C ATOM 0 H THR A 62 -11.733 -1.053 5.515 1.00 0.00 H new ATOM 0 HA THR A 62 -10.787 -3.303 4.078 1.00 0.00 H new ATOM 0 HB THR A 62 -13.233 -3.958 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.403 -1.229 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.389 -4.012 6.579 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.740 -4.400 6.033 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.104 -2.786 6.688 1.00 0.00 H new ATOM 510 N LYS A 63 -12.532 -1.156 2.284 1.00 0.00 N ATOM 511 CA LYS A 63 -12.859 -0.803 0.874 1.00 0.00 C ATOM 512 C LYS A 63 -11.581 -0.819 0.033 1.00 0.00 C ATOM 513 O LYS A 63 -11.552 -1.348 -1.060 1.00 0.00 O ATOM 514 CB LYS A 63 -13.479 0.596 0.830 1.00 0.00 C ATOM 515 CG LYS A 63 -14.696 0.587 -0.098 1.00 0.00 C ATOM 516 CD LYS A 63 -15.098 2.026 -0.427 1.00 0.00 C ATOM 517 CE LYS A 63 -16.152 2.021 -1.535 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.998 3.243 -1.422 1.00 0.00 N ATOM 0 H LYS A 63 -12.841 -0.481 2.983 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.567 -1.529 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.775 0.906 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.745 1.320 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.464 0.045 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.526 0.066 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.493 2.517 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.224 2.595 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.668 1.990 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.772 1.128 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.715 3.240 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.470 3.254 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.400 4.089 -1.516 1.00 0.00 H new ATOM 532 N LEU A 64 -10.523 -0.242 0.534 1.00 0.00 N ATOM 533 CA LEU A 64 -9.248 -0.223 -0.237 1.00 0.00 C ATOM 534 C LEU A 64 -8.740 -1.655 -0.420 1.00 0.00 C ATOM 535 O LEU A 64 -8.344 -2.051 -1.498 1.00 0.00 O ATOM 536 CB LEU A 64 -8.204 0.595 0.525 1.00 0.00 C ATOM 537 CG LEU A 64 -7.492 1.542 -0.442 1.00 0.00 C ATOM 538 CD1 LEU A 64 -6.821 0.730 -1.551 1.00 0.00 C ATOM 539 CD2 LEU A 64 -8.513 2.501 -1.059 1.00 0.00 C ATOM 0 H LEU A 64 -10.487 0.217 1.444 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.421 0.228 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.683 1.164 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.481 -0.069 0.999 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.736 2.112 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.314 1.405 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.095 0.046 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.576 0.160 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.007 3.177 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.268 1.930 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.992 3.080 -0.269 1.00 0.00 H new ATOM 551 N ALA A 65 -8.746 -2.435 0.626 1.00 0.00 N ATOM 552 CA ALA A 65 -8.261 -3.839 0.513 1.00 0.00 C ATOM 553 C ALA A 65 -8.932 -4.518 -0.684 1.00 0.00 C ATOM 554 O ALA A 65 -8.295 -5.209 -1.454 1.00 0.00 O ATOM 555 CB ALA A 65 -8.610 -4.603 1.792 1.00 0.00 C ATOM 0 H ALA A 65 -9.066 -2.160 1.555 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.180 -3.839 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.256 -5.631 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.133 -4.121 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.691 -4.602 1.933 1.00 0.00 H new ATOM 561 N ALA A 66 -10.212 -4.327 -0.846 1.00 0.00 N ATOM 562 CA ALA A 66 -10.922 -4.964 -1.992 1.00 0.00 C ATOM 563 C ALA A 66 -10.472 -4.311 -3.301 1.00 0.00 C ATOM 564 O ALA A 66 -10.353 -4.961 -4.320 1.00 0.00 O ATOM 565 CB ALA A 66 -12.431 -4.778 -1.821 1.00 0.00 C ATOM 0 H ALA A 66 -10.797 -3.758 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.686 -6.028 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.952 -5.243 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.752 -5.244 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.666 -3.714 -1.794 1.00 0.00 H new ATOM 571 N GLU A 67 -10.223 -3.030 -3.283 1.00 0.00 N ATOM 572 CA GLU A 67 -9.784 -2.337 -4.527 1.00 0.00 C ATOM 573 C GLU A 67 -8.410 -2.864 -4.952 1.00 0.00 C ATOM 574 O GLU A 67 -8.020 -2.752 -6.097 1.00 0.00 O ATOM 575 CB GLU A 67 -9.696 -0.832 -4.268 1.00 0.00 C ATOM 576 CG GLU A 67 -10.820 -0.116 -5.020 1.00 0.00 C ATOM 577 CD GLU A 67 -10.456 1.358 -5.202 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.349 1.724 -4.843 1.00 0.00 O ATOM 579 OE2 GLU A 67 -11.291 2.097 -5.698 1.00 0.00 O ATOM 0 H GLU A 67 -10.305 -2.433 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.505 -2.528 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.774 -0.631 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.727 -0.453 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.978 -0.585 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.755 -0.205 -4.467 1.00 0.00 H new ATOM 586 N LEU A 68 -7.673 -3.433 -4.037 1.00 0.00 N ATOM 587 CA LEU A 68 -6.324 -3.963 -4.389 1.00 0.00 C ATOM 588 C LEU A 68 -6.452 -5.401 -4.898 1.00 0.00 C ATOM 589 O LEU A 68 -5.845 -5.779 -5.881 1.00 0.00 O ATOM 590 CB LEU A 68 -5.431 -3.943 -3.147 1.00 0.00 C ATOM 591 CG LEU A 68 -4.529 -2.710 -3.187 1.00 0.00 C ATOM 592 CD1 LEU A 68 -3.858 -2.524 -1.825 1.00 0.00 C ATOM 593 CD2 LEU A 68 -3.455 -2.900 -4.260 1.00 0.00 C ATOM 0 H LEU A 68 -7.946 -3.554 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.884 -3.341 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.044 -3.929 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.825 -4.848 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.128 -1.830 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.215 -1.645 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.621 -2.390 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.259 -3.404 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.811 -2.021 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.857 -3.780 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.931 -3.034 -5.231 1.00 0.00 H new ATOM 605 N LYS A 69 -7.232 -6.207 -4.233 1.00 0.00 N ATOM 606 CA LYS A 69 -7.396 -7.623 -4.671 1.00 0.00 C ATOM 607 C LYS A 69 -8.067 -7.666 -6.046 1.00 0.00 C ATOM 608 O LYS A 69 -7.948 -8.631 -6.775 1.00 0.00 O ATOM 609 CB LYS A 69 -8.268 -8.366 -3.656 1.00 0.00 C ATOM 610 CG LYS A 69 -8.403 -9.832 -4.073 1.00 0.00 C ATOM 611 CD LYS A 69 -9.805 -10.336 -3.725 1.00 0.00 C ATOM 612 CE LYS A 69 -9.706 -11.728 -3.099 1.00 0.00 C ATOM 613 NZ LYS A 69 -11.067 -12.329 -3.002 1.00 0.00 N ATOM 0 H LYS A 69 -7.765 -5.946 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.417 -8.098 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.825 -8.299 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.252 -7.902 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.224 -9.934 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.652 -10.436 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.289 -9.648 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.423 -10.372 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.058 -12.364 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.255 -11.662 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.999 -13.275 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.672 -11.725 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.481 -12.406 -3.953 1.00 0.00 H new ATOM 627 N LYS A 70 -8.776 -6.632 -6.405 1.00 0.00 N ATOM 628 CA LYS A 70 -9.459 -6.618 -7.730 1.00 0.00 C ATOM 629 C LYS A 70 -8.423 -6.698 -8.854 1.00 0.00 C ATOM 630 O LYS A 70 -8.752 -6.973 -9.991 1.00 0.00 O ATOM 631 CB LYS A 70 -10.261 -5.324 -7.875 1.00 0.00 C ATOM 632 CG LYS A 70 -11.740 -5.660 -8.078 1.00 0.00 C ATOM 633 CD LYS A 70 -12.535 -5.224 -6.846 1.00 0.00 C ATOM 634 CE LYS A 70 -14.033 -5.335 -7.138 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.331 -4.694 -8.450 1.00 0.00 N ATOM 0 H LYS A 70 -8.912 -5.795 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.127 -7.477 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.136 -4.705 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.889 -4.746 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.120 -5.156 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.862 -6.731 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.273 -5.848 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.281 -4.198 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.335 -6.382 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.606 -4.852 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.304 -4.325 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.665 -3.912 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.232 -5.397 -9.210 1.00 0.00 H new ATOM 649 N LYS A 71 -7.176 -6.454 -8.554 1.00 0.00 N ATOM 650 CA LYS A 71 -6.134 -6.512 -9.622 1.00 0.00 C ATOM 651 C LYS A 71 -4.809 -6.988 -9.023 1.00 0.00 C ATOM 652 O LYS A 71 -3.748 -6.718 -9.549 1.00 0.00 O ATOM 653 CB LYS A 71 -5.938 -5.120 -10.239 1.00 0.00 C ATOM 654 CG LYS A 71 -7.151 -4.233 -9.936 1.00 0.00 C ATOM 655 CD LYS A 71 -6.877 -2.809 -10.424 1.00 0.00 C ATOM 656 CE LYS A 71 -7.053 -2.747 -11.942 1.00 0.00 C ATOM 657 NZ LYS A 71 -8.428 -2.271 -12.263 1.00 0.00 N ATOM 0 H LYS A 71 -6.834 -6.218 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.459 -7.208 -10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.034 -4.661 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.802 -5.207 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.039 -4.632 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.353 -4.229 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.558 -2.110 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.865 -2.508 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.313 -2.075 -12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.886 -3.732 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.549 -2.229 -13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.126 -2.928 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.571 -1.324 -11.859 1.00 0.00 H new ATOM 671 N CYS A 72 -4.862 -7.693 -7.927 1.00 0.00 N ATOM 672 CA CYS A 72 -3.604 -8.184 -7.296 1.00 0.00 C ATOM 673 C CYS A 72 -3.453 -9.684 -7.555 1.00 0.00 C ATOM 674 O CYS A 72 -2.363 -10.221 -7.538 1.00 0.00 O ATOM 675 CB CYS A 72 -3.662 -7.936 -5.788 1.00 0.00 C ATOM 676 SG CYS A 72 -2.448 -6.673 -5.334 1.00 0.00 S ATOM 0 H CYS A 72 -5.721 -7.950 -7.441 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.753 -7.653 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.663 -7.613 -5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.458 -8.861 -5.249 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.641 -6.309 -4.101 1.00 0.00 H new ATOM 682 N GLY A 73 -4.540 -10.366 -7.787 1.00 0.00 N ATOM 683 CA GLY A 73 -4.459 -11.832 -8.038 1.00 0.00 C ATOM 684 C GLY A 73 -4.677 -12.580 -6.723 1.00 0.00 C ATOM 685 O GLY A 73 -4.849 -13.782 -6.701 1.00 0.00 O ATOM 0 H GLY A 73 -5.480 -9.972 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.211 -12.130 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.487 -12.088 -8.459 1.00 0.00 H new ATOM 689 N CYS A 74 -4.672 -11.874 -5.623 1.00 0.00 N ATOM 690 CA CYS A 74 -4.879 -12.541 -4.308 1.00 0.00 C ATOM 691 C CYS A 74 -4.680 -11.519 -3.186 1.00 0.00 C ATOM 692 O CYS A 74 -3.743 -10.744 -3.198 1.00 0.00 O ATOM 693 CB CYS A 74 -3.872 -13.683 -4.156 1.00 0.00 C ATOM 694 SG CYS A 74 -4.721 -15.267 -4.371 1.00 0.00 S ATOM 0 H CYS A 74 -4.533 -10.864 -5.580 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.890 -12.944 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.076 -13.581 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.403 -13.640 -3.173 1.00 0.00 H new ATOM 0 HG CYS A 74 -5.255 -15.316 -5.555 1.00 0.00 H new ATOM 700 N GLY A 75 -5.557 -11.505 -2.218 1.00 0.00 N ATOM 701 CA GLY A 75 -5.419 -10.527 -1.101 1.00 0.00 C ATOM 702 C GLY A 75 -4.257 -10.938 -0.195 1.00 0.00 C ATOM 703 O GLY A 75 -3.166 -10.410 -0.291 1.00 0.00 O ATOM 0 H GLY A 75 -6.362 -12.128 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.246 -9.527 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.344 -10.485 -0.526 1.00 0.00 H new ATOM 707 N GLY A 76 -4.480 -11.876 0.686 1.00 0.00 N ATOM 708 CA GLY A 76 -3.387 -12.319 1.599 1.00 0.00 C ATOM 709 C GLY A 76 -3.811 -12.097 3.052 1.00 0.00 C ATOM 710 O GLY A 76 -4.672 -12.780 3.570 1.00 0.00 O ATOM 0 H GLY A 76 -5.372 -12.355 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.164 -13.373 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.474 -11.762 1.387 1.00 0.00 H new ATOM 714 N ALA A 77 -3.212 -11.146 3.717 1.00 0.00 N ATOM 715 CA ALA A 77 -3.582 -10.882 5.137 1.00 0.00 C ATOM 716 C ALA A 77 -4.407 -9.596 5.217 1.00 0.00 C ATOM 717 O ALA A 77 -4.042 -8.579 4.663 1.00 0.00 O ATOM 718 CB ALA A 77 -2.311 -10.725 5.975 1.00 0.00 C ATOM 0 H ALA A 77 -2.483 -10.541 3.339 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.169 -11.716 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.581 -10.532 7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.722 -11.640 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.723 -9.891 5.592 1.00 0.00 H new ATOM 724 N VAL A 78 -5.517 -9.632 5.903 1.00 0.00 N ATOM 725 CA VAL A 78 -6.359 -8.408 6.013 1.00 0.00 C ATOM 726 C VAL A 78 -6.839 -8.236 7.456 1.00 0.00 C ATOM 727 O VAL A 78 -7.818 -8.825 7.869 1.00 0.00 O ATOM 728 CB VAL A 78 -7.575 -8.535 5.094 1.00 0.00 C ATOM 729 CG1 VAL A 78 -8.493 -7.329 5.298 1.00 0.00 C ATOM 730 CG2 VAL A 78 -7.113 -8.581 3.636 1.00 0.00 C ATOM 0 H VAL A 78 -5.876 -10.453 6.390 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.765 -7.542 5.720 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.116 -9.451 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.360 -7.417 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.823 -7.295 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.950 -6.414 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.980 -8.672 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.572 -7.665 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.457 -9.439 3.489 1.00 0.00 H new ATOM 740 N LYS A 79 -6.166 -7.423 8.223 1.00 0.00 N ATOM 741 CA LYS A 79 -6.595 -7.204 9.632 1.00 0.00 C ATOM 742 C LYS A 79 -7.326 -5.863 9.721 1.00 0.00 C ATOM 743 O LYS A 79 -7.011 -4.930 9.010 1.00 0.00 O ATOM 744 CB LYS A 79 -5.369 -7.183 10.548 1.00 0.00 C ATOM 745 CG LYS A 79 -5.365 -8.434 11.430 1.00 0.00 C ATOM 746 CD LYS A 79 -5.857 -8.072 12.833 1.00 0.00 C ATOM 747 CE LYS A 79 -4.690 -8.153 13.820 1.00 0.00 C ATOM 748 NZ LYS A 79 -4.459 -9.576 14.201 1.00 0.00 N ATOM 0 H LYS A 79 -5.338 -6.901 7.935 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.258 -8.010 9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.458 -7.143 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.382 -6.288 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.006 -9.201 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.360 -8.852 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.279 -7.067 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.653 -8.752 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.789 -7.735 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.908 -7.559 14.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.666 -9.631 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.317 -9.960 14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.233 -10.131 13.351 1.00 0.00 H new ATOM 762 N ASP A 80 -8.302 -5.757 10.578 1.00 0.00 N ATOM 763 CA ASP A 80 -9.048 -4.471 10.695 1.00 0.00 C ATOM 764 C ASP A 80 -8.099 -3.368 11.171 1.00 0.00 C ATOM 765 O ASP A 80 -7.885 -3.188 12.354 1.00 0.00 O ATOM 766 CB ASP A 80 -10.189 -4.632 11.702 1.00 0.00 C ATOM 767 CG ASP A 80 -11.035 -3.358 11.720 1.00 0.00 C ATOM 768 OD1 ASP A 80 -10.667 -2.437 12.430 1.00 0.00 O ATOM 769 OD2 ASP A 80 -12.036 -3.325 11.023 1.00 0.00 O ATOM 0 H ASP A 80 -8.616 -6.501 11.201 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.457 -4.201 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.807 -5.488 11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.787 -4.828 12.696 1.00 0.00 H new ATOM 774 N GLY A 81 -7.532 -2.623 10.260 1.00 0.00 N ATOM 775 CA GLY A 81 -6.602 -1.528 10.664 1.00 0.00 C ATOM 776 C GLY A 81 -5.299 -1.636 9.869 1.00 0.00 C ATOM 777 O GLY A 81 -4.603 -0.660 9.666 1.00 0.00 O ATOM 0 H GLY A 81 -7.672 -2.725 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.068 -0.559 10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.394 -1.591 11.732 1.00 0.00 H new ATOM 781 N VAL A 82 -4.959 -2.813 9.421 1.00 0.00 N ATOM 782 CA VAL A 82 -3.698 -2.980 8.644 1.00 0.00 C ATOM 783 C VAL A 82 -3.907 -4.018 7.540 1.00 0.00 C ATOM 784 O VAL A 82 -4.789 -4.851 7.615 1.00 0.00 O ATOM 785 CB VAL A 82 -2.586 -3.450 9.582 1.00 0.00 C ATOM 786 CG1 VAL A 82 -1.998 -2.246 10.320 1.00 0.00 C ATOM 787 CG2 VAL A 82 -3.164 -4.438 10.598 1.00 0.00 C ATOM 0 H VAL A 82 -5.500 -3.667 9.559 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.420 -2.027 8.194 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.802 -3.938 9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.205 -2.581 10.989 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.589 -1.540 9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.780 -1.758 10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.373 -4.775 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.947 -3.948 11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.584 -5.296 10.073 1.00 0.00 H new ATOM 797 N ILE A 83 -3.100 -3.977 6.514 1.00 0.00 N ATOM 798 CA ILE A 83 -3.250 -4.963 5.406 1.00 0.00 C ATOM 799 C ILE A 83 -1.868 -5.344 4.872 1.00 0.00 C ATOM 800 O ILE A 83 -0.956 -4.541 4.853 1.00 0.00 O ATOM 801 CB ILE A 83 -4.078 -4.344 4.279 1.00 0.00 C ATOM 802 CG1 ILE A 83 -5.453 -3.942 4.819 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.253 -5.366 3.155 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.460 -2.445 5.133 1.00 0.00 C ATOM 0 H ILE A 83 -2.343 -3.303 6.396 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.754 -5.854 5.780 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.566 -3.463 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.225 -4.174 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.684 -4.514 5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.843 -4.926 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.275 -5.655 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.766 -6.247 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.439 -2.158 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.698 -2.227 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.248 -1.882 4.224 1.00 0.00 H new ATOM 816 N GLU A 84 -1.705 -6.564 4.437 1.00 0.00 N ATOM 817 CA GLU A 84 -0.383 -6.996 3.905 1.00 0.00 C ATOM 818 C GLU A 84 -0.578 -7.675 2.547 1.00 0.00 C ATOM 819 O GLU A 84 -1.347 -8.606 2.414 1.00 0.00 O ATOM 820 CB GLU A 84 0.260 -7.985 4.880 1.00 0.00 C ATOM 821 CG GLU A 84 1.374 -7.284 5.661 1.00 0.00 C ATOM 822 CD GLU A 84 1.898 -8.220 6.752 1.00 0.00 C ATOM 823 OE1 GLU A 84 1.200 -8.400 7.736 1.00 0.00 O ATOM 824 OE2 GLU A 84 2.989 -8.740 6.585 1.00 0.00 O ATOM 0 H GLU A 84 -2.431 -7.280 4.427 1.00 0.00 H new ATOM 0 HA GLU A 84 0.264 -6.127 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.491 -8.374 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.665 -8.838 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.184 -7.003 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.997 -6.364 6.107 1.00 0.00 H new ATOM 831 N ILE A 85 0.113 -7.219 1.538 1.00 0.00 N ATOM 832 CA ILE A 85 -0.036 -7.843 0.193 1.00 0.00 C ATOM 833 C ILE A 85 1.281 -8.508 -0.210 1.00 0.00 C ATOM 834 O ILE A 85 2.338 -8.161 0.279 1.00 0.00 O ATOM 835 CB ILE A 85 -0.398 -6.767 -0.833 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.692 -6.070 -0.405 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.600 -7.416 -2.204 1.00 0.00 C ATOM 838 CD1 ILE A 85 -2.865 -7.041 -0.546 1.00 0.00 C ATOM 0 H ILE A 85 0.773 -6.443 1.587 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.827 -8.593 0.227 1.00 0.00 H new ATOM 0 HB ILE A 85 0.408 -6.036 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.610 -5.730 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.862 -5.186 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.858 -6.650 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.320 -7.914 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.406 -8.147 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.787 -6.545 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.951 -7.360 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.695 -7.911 0.088 1.00 0.00 H new ATOM 850 N GLN A 86 1.228 -9.462 -1.098 1.00 0.00 N ATOM 851 CA GLN A 86 2.477 -10.149 -1.531 1.00 0.00 C ATOM 852 C GLN A 86 2.721 -9.875 -3.016 1.00 0.00 C ATOM 853 O GLN A 86 2.333 -10.646 -3.871 1.00 0.00 O ATOM 854 CB GLN A 86 2.334 -11.656 -1.307 1.00 0.00 C ATOM 855 CG GLN A 86 3.194 -12.079 -0.114 1.00 0.00 C ATOM 856 CD GLN A 86 4.165 -13.177 -0.549 1.00 0.00 C ATOM 857 OE1 GLN A 86 3.894 -13.911 -1.479 1.00 0.00 O ATOM 858 NE2 GLN A 86 5.295 -13.323 0.089 1.00 0.00 N ATOM 0 H GLN A 86 0.373 -9.796 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 86 3.319 -9.773 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.290 -11.910 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.642 -12.198 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.746 -11.222 0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.559 -12.440 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.523 -12.707 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.949 -14.053 -0.193 1.00 0.00 H new ATOM 867 N GLY A 87 3.362 -8.783 -3.330 1.00 0.00 N ATOM 868 CA GLY A 87 3.631 -8.461 -4.760 1.00 0.00 C ATOM 869 C GLY A 87 4.701 -7.372 -4.847 1.00 0.00 C ATOM 870 O GLY A 87 5.031 -6.733 -3.867 1.00 0.00 O ATOM 0 H GLY A 87 3.711 -8.100 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.963 -9.355 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.715 -8.125 -5.246 1.00 0.00 H new ATOM 874 N ASP A 88 5.246 -7.154 -6.012 1.00 0.00 N ATOM 875 CA ASP A 88 6.295 -6.107 -6.159 1.00 0.00 C ATOM 876 C ASP A 88 5.821 -5.046 -7.154 1.00 0.00 C ATOM 877 O ASP A 88 6.531 -4.676 -8.068 1.00 0.00 O ATOM 878 CB ASP A 88 7.587 -6.747 -6.673 1.00 0.00 C ATOM 879 CG ASP A 88 8.213 -7.593 -5.564 1.00 0.00 C ATOM 880 OD1 ASP A 88 7.542 -8.490 -5.079 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.353 -7.331 -5.217 1.00 0.00 O ATOM 0 H ASP A 88 5.010 -7.656 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 88 6.480 -5.641 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.376 -7.368 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.286 -5.974 -6.994 1.00 0.00 H new ATOM 886 N LYS A 89 4.625 -4.552 -6.984 1.00 0.00 N ATOM 887 CA LYS A 89 4.106 -3.516 -7.920 1.00 0.00 C ATOM 888 C LYS A 89 4.125 -2.150 -7.230 1.00 0.00 C ATOM 889 O LYS A 89 3.243 -1.337 -7.417 1.00 0.00 O ATOM 890 CB LYS A 89 2.672 -3.864 -8.323 1.00 0.00 C ATOM 891 CG LYS A 89 2.673 -4.505 -9.713 1.00 0.00 C ATOM 892 CD LYS A 89 1.241 -4.565 -10.248 1.00 0.00 C ATOM 893 CE LYS A 89 1.260 -5.020 -11.708 1.00 0.00 C ATOM 894 NZ LYS A 89 -0.103 -5.474 -12.105 1.00 0.00 N ATOM 0 H LYS A 89 3.985 -4.822 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 89 4.735 -3.483 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.235 -4.548 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.056 -2.965 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.302 -3.928 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.096 -5.508 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.646 -5.255 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.770 -3.585 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.584 -4.202 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.977 -5.830 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.090 -5.783 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.395 -6.267 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.776 -4.689 -11.996 1.00 0.00 H new ATOM 908 N ARG A 90 5.125 -1.893 -6.431 1.00 0.00 N ATOM 909 CA ARG A 90 5.200 -0.581 -5.729 1.00 0.00 C ATOM 910 C ARG A 90 4.923 0.547 -6.725 1.00 0.00 C ATOM 911 O ARG A 90 4.298 1.537 -6.399 1.00 0.00 O ATOM 912 CB ARG A 90 6.597 -0.402 -5.132 1.00 0.00 C ATOM 913 CG ARG A 90 6.631 0.873 -4.286 1.00 0.00 C ATOM 914 CD ARG A 90 8.074 1.366 -4.164 1.00 0.00 C ATOM 915 NE ARG A 90 8.308 1.880 -2.785 1.00 0.00 N ATOM 916 CZ ARG A 90 9.288 2.711 -2.555 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.461 2.498 -3.083 1.00 0.00 N ATOM 918 NH2 ARG A 90 9.093 3.755 -1.797 1.00 0.00 N ATOM 0 H ARG A 90 5.893 -2.535 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 90 4.457 -0.552 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.855 -1.265 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.339 -0.343 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.010 1.643 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.218 0.677 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.767 0.554 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.264 2.153 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 90 7.702 1.582 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.613 1.682 -3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.227 3.147 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.175 3.921 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.858 4.405 -1.617 1.00 0.00 H new ATOM 932 N ASP A 91 5.383 0.406 -7.938 1.00 0.00 N ATOM 933 CA ASP A 91 5.146 1.471 -8.953 1.00 0.00 C ATOM 934 C ASP A 91 3.642 1.699 -9.114 1.00 0.00 C ATOM 935 O ASP A 91 3.156 2.807 -8.999 1.00 0.00 O ATOM 936 CB ASP A 91 5.742 1.039 -10.295 1.00 0.00 C ATOM 937 CG ASP A 91 5.343 2.042 -11.378 1.00 0.00 C ATOM 938 OD1 ASP A 91 4.894 3.120 -11.023 1.00 0.00 O ATOM 939 OD2 ASP A 91 5.493 1.716 -12.544 1.00 0.00 O ATOM 0 H ASP A 91 5.912 -0.400 -8.270 1.00 0.00 H new ATOM 0 HA ASP A 91 5.620 2.396 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.828 0.981 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.387 0.043 -10.559 1.00 0.00 H new ATOM 944 N LEU A 92 2.900 0.659 -9.379 1.00 0.00 N ATOM 945 CA LEU A 92 1.428 0.817 -9.547 1.00 0.00 C ATOM 946 C LEU A 92 0.803 1.237 -8.214 1.00 0.00 C ATOM 947 O LEU A 92 -0.306 1.729 -8.166 1.00 0.00 O ATOM 948 CB LEU A 92 0.820 -0.512 -10.000 1.00 0.00 C ATOM 949 CG LEU A 92 -0.477 -0.246 -10.766 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.242 -0.467 -12.261 1.00 0.00 C ATOM 951 CD2 LEU A 92 -1.564 -1.204 -10.274 1.00 0.00 C ATOM 0 H LEU A 92 3.250 -0.293 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 92 1.229 1.582 -10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.525 -1.049 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.621 -1.146 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.794 0.783 -10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.166 -0.277 -12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.533 0.214 -12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.075 -1.496 -12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.489 -1.016 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.246 -2.233 -10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.732 -1.047 -9.209 1.00 0.00 H new ATOM 963 N LEU A 93 1.507 1.045 -7.132 1.00 0.00 N ATOM 964 CA LEU A 93 0.952 1.433 -5.805 1.00 0.00 C ATOM 965 C LEU A 93 0.951 2.958 -5.678 1.00 0.00 C ATOM 966 O LEU A 93 -0.013 3.554 -5.240 1.00 0.00 O ATOM 967 CB LEU A 93 1.815 0.830 -4.695 1.00 0.00 C ATOM 968 CG LEU A 93 1.170 -0.462 -4.191 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.244 -1.370 -3.590 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.129 -0.126 -3.120 1.00 0.00 C ATOM 0 H LEU A 93 2.441 0.637 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.068 1.060 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.818 0.626 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.920 1.540 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 93 0.686 -0.975 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.783 -2.290 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.986 -1.609 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.729 -0.859 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.332 -1.046 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.614 0.387 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.637 0.521 -3.548 1.00 0.00 H new ATOM 982 N LYS A 94 2.025 3.595 -6.058 1.00 0.00 N ATOM 983 CA LYS A 94 2.084 5.081 -5.959 1.00 0.00 C ATOM 984 C LYS A 94 1.069 5.697 -6.923 1.00 0.00 C ATOM 985 O LYS A 94 0.499 6.737 -6.658 1.00 0.00 O ATOM 986 CB LYS A 94 3.491 5.561 -6.324 1.00 0.00 C ATOM 987 CG LYS A 94 3.619 7.053 -6.010 1.00 0.00 C ATOM 988 CD LYS A 94 4.924 7.589 -6.602 1.00 0.00 C ATOM 989 CE LYS A 94 4.795 9.094 -6.844 1.00 0.00 C ATOM 990 NZ LYS A 94 6.061 9.612 -7.435 1.00 0.00 N ATOM 0 H LYS A 94 2.863 3.151 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 94 1.849 5.387 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.236 4.996 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.684 5.383 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.769 7.597 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.604 7.211 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.753 7.389 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.148 7.077 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.959 9.295 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.582 9.607 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.974 10.635 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.849 9.433 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.245 9.130 -8.338 1.00 0.00 H new ATOM 1004 N SER A 95 0.838 5.064 -8.041 1.00 0.00 N ATOM 1005 CA SER A 95 -0.140 5.615 -9.020 1.00 0.00 C ATOM 1006 C SER A 95 -1.549 5.543 -8.428 1.00 0.00 C ATOM 1007 O SER A 95 -2.197 6.549 -8.218 1.00 0.00 O ATOM 1008 CB SER A 95 -0.087 4.795 -10.310 1.00 0.00 C ATOM 1009 OG SER A 95 -1.200 5.133 -11.127 1.00 0.00 O ATOM 0 H SER A 95 1.284 4.190 -8.318 1.00 0.00 H new ATOM 0 HA SER A 95 0.110 6.653 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.843 4.993 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.101 3.730 -10.078 1.00 0.00 H new ATOM 0 HG SER A 95 -1.168 4.610 -11.955 1.00 0.00 H new ATOM 1015 N LEU A 96 -2.030 4.360 -8.157 1.00 0.00 N ATOM 1016 CA LEU A 96 -3.396 4.226 -7.579 1.00 0.00 C ATOM 1017 C LEU A 96 -3.522 5.132 -6.353 1.00 0.00 C ATOM 1018 O LEU A 96 -4.583 5.642 -6.052 1.00 0.00 O ATOM 1019 CB LEU A 96 -3.634 2.772 -7.165 1.00 0.00 C ATOM 1020 CG LEU A 96 -2.516 2.319 -6.225 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -2.827 2.783 -4.801 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.416 0.792 -6.252 1.00 0.00 C ATOM 0 H LEU A 96 -1.536 3.481 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.136 4.518 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.600 2.677 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.664 2.132 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.570 2.752 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.030 2.460 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.900 3.870 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.773 2.350 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.619 0.468 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.362 0.360 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.195 0.460 -7.266 1.00 0.00 H new ATOM 1034 N LEU A 97 -2.447 5.337 -5.642 1.00 0.00 N ATOM 1035 CA LEU A 97 -2.505 6.210 -4.437 1.00 0.00 C ATOM 1036 C LEU A 97 -2.825 7.645 -4.861 1.00 0.00 C ATOM 1037 O LEU A 97 -3.676 8.296 -4.289 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.154 6.179 -3.719 1.00 0.00 C ATOM 1039 CG LEU A 97 -1.376 6.265 -2.208 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -2.188 7.520 -1.881 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.142 5.027 -1.735 1.00 0.00 C ATOM 0 H LEU A 97 -1.531 4.937 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.282 5.849 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.620 5.262 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.533 7.010 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.412 6.314 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.346 7.581 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.645 8.403 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.152 7.472 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.301 5.087 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.106 4.980 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.565 4.132 -1.967 1.00 0.00 H new ATOM 1053 N GLU A 98 -2.149 8.142 -5.860 1.00 0.00 N ATOM 1054 CA GLU A 98 -2.414 9.534 -6.320 1.00 0.00 C ATOM 1055 C GLU A 98 -3.795 9.600 -6.975 1.00 0.00 C ATOM 1056 O GLU A 98 -4.339 10.664 -7.195 1.00 0.00 O ATOM 1057 CB GLU A 98 -1.348 9.948 -7.336 1.00 0.00 C ATOM 1058 CG GLU A 98 -1.436 11.455 -7.584 1.00 0.00 C ATOM 1059 CD GLU A 98 -0.488 11.842 -8.721 1.00 0.00 C ATOM 1060 OE1 GLU A 98 0.247 10.979 -9.173 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -0.513 12.995 -9.120 1.00 0.00 O ATOM 0 H GLU A 98 -1.425 7.644 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.384 10.210 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.357 9.687 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.492 9.406 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.459 11.733 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.174 11.999 -6.677 1.00 0.00 H new ATOM 1068 N ALA A 99 -4.368 8.470 -7.288 1.00 0.00 N ATOM 1069 CA ALA A 99 -5.714 8.469 -7.929 1.00 0.00 C ATOM 1070 C ALA A 99 -6.774 8.836 -6.888 1.00 0.00 C ATOM 1071 O ALA A 99 -7.902 9.143 -7.219 1.00 0.00 O ATOM 1072 CB ALA A 99 -6.010 7.077 -8.490 1.00 0.00 C ATOM 0 H ALA A 99 -3.963 7.548 -7.128 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.732 9.198 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.994 7.075 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.255 6.815 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.993 6.347 -7.681 1.00 0.00 H new ATOM 1078 N LYS A 100 -6.421 8.807 -5.632 1.00 0.00 N ATOM 1079 CA LYS A 100 -7.409 9.154 -4.572 1.00 0.00 C ATOM 1080 C LYS A 100 -7.173 10.593 -4.107 1.00 0.00 C ATOM 1081 O LYS A 100 -8.091 11.288 -3.719 1.00 0.00 O ATOM 1082 CB LYS A 100 -7.242 8.201 -3.387 1.00 0.00 C ATOM 1083 CG LYS A 100 -8.387 7.187 -3.381 1.00 0.00 C ATOM 1084 CD LYS A 100 -7.946 5.915 -4.107 1.00 0.00 C ATOM 1085 CE LYS A 100 -9.160 5.255 -4.764 1.00 0.00 C ATOM 1086 NZ LYS A 100 -8.858 4.971 -6.195 1.00 0.00 N ATOM 0 H LYS A 100 -5.491 8.558 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.419 9.062 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.285 7.684 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.235 8.763 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.674 6.952 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.265 7.611 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.197 6.155 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.480 5.225 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.410 4.330 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.029 5.909 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.683 4.522 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.639 5.861 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.040 4.331 -6.257 1.00 0.00 H new ATOM 1100 N GLY A 101 -5.949 11.045 -4.144 1.00 0.00 N ATOM 1101 CA GLY A 101 -5.656 12.438 -3.704 1.00 0.00 C ATOM 1102 C GLY A 101 -5.086 12.417 -2.285 1.00 0.00 C ATOM 1103 O GLY A 101 -5.036 13.427 -1.610 1.00 0.00 O ATOM 0 H GLY A 101 -5.140 10.510 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.945 12.904 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.565 13.038 -3.733 1.00 0.00 H new ATOM 1107 N MET A 102 -4.655 11.275 -1.825 1.00 0.00 N ATOM 1108 CA MET A 102 -4.088 11.191 -0.450 1.00 0.00 C ATOM 1109 C MET A 102 -2.588 11.491 -0.497 1.00 0.00 C ATOM 1110 O MET A 102 -1.945 11.328 -1.515 1.00 0.00 O ATOM 1111 CB MET A 102 -4.309 9.783 0.108 1.00 0.00 C ATOM 1112 CG MET A 102 -5.797 9.436 0.042 1.00 0.00 C ATOM 1113 SD MET A 102 -6.317 8.707 1.615 1.00 0.00 S ATOM 1114 CE MET A 102 -6.246 6.974 1.097 1.00 0.00 C ATOM 0 H MET A 102 -4.671 10.396 -2.342 1.00 0.00 H new ATOM 0 HA MET A 102 -4.584 11.919 0.192 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.730 9.058 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.957 9.729 1.138 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.381 10.332 -0.167 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.983 8.737 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.969 6.351 1.947 1.00 0.00 H new ATOM 0 HE2 MET A 102 -7.223 6.665 0.724 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.504 6.861 0.307 1.00 0.00 H new ATOM 1124 N LYS A 103 -2.026 11.928 0.597 1.00 0.00 N ATOM 1125 CA LYS A 103 -0.569 12.238 0.613 1.00 0.00 C ATOM 1126 C LYS A 103 0.220 10.964 0.921 1.00 0.00 C ATOM 1127 O LYS A 103 0.372 10.577 2.062 1.00 0.00 O ATOM 1128 CB LYS A 103 -0.283 13.287 1.689 1.00 0.00 C ATOM 1129 CG LYS A 103 0.019 14.632 1.025 1.00 0.00 C ATOM 1130 CD LYS A 103 0.528 15.619 2.077 1.00 0.00 C ATOM 1131 CE LYS A 103 0.907 16.937 1.399 1.00 0.00 C ATOM 1132 NZ LYS A 103 1.506 17.859 2.405 1.00 0.00 N ATOM 0 H LYS A 103 -2.513 12.084 1.480 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.269 12.625 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.140 13.383 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.563 12.974 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.765 14.503 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.879 15.024 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.241 15.793 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.392 15.202 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.616 16.752 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.025 17.394 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.764 18.755 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.816 18.044 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.357 17.422 2.813 1.00 0.00 H new ATOM 1146 N VAL A 104 0.724 10.308 -0.089 1.00 0.00 N ATOM 1147 CA VAL A 104 1.502 9.060 0.147 1.00 0.00 C ATOM 1148 C VAL A 104 2.936 9.420 0.540 1.00 0.00 C ATOM 1149 O VAL A 104 3.525 10.339 0.005 1.00 0.00 O ATOM 1150 CB VAL A 104 1.519 8.221 -1.132 1.00 0.00 C ATOM 1151 CG1 VAL A 104 2.223 8.999 -2.245 1.00 0.00 C ATOM 1152 CG2 VAL A 104 2.271 6.913 -0.873 1.00 0.00 C ATOM 0 H VAL A 104 0.630 10.583 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 104 1.038 8.488 0.951 1.00 0.00 H new ATOM 0 HB VAL A 104 0.495 8.000 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.235 8.401 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.690 9.932 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.247 9.220 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.284 6.314 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.294 7.135 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.771 6.357 -0.080 1.00 0.00 H new ATOM 1162 N LYS A 105 3.504 8.703 1.471 1.00 0.00 N ATOM 1163 CA LYS A 105 4.899 9.005 1.897 1.00 0.00 C ATOM 1164 C LYS A 105 5.824 7.870 1.455 1.00 0.00 C ATOM 1165 O LYS A 105 6.218 7.033 2.243 1.00 0.00 O ATOM 1166 CB LYS A 105 4.949 9.139 3.421 1.00 0.00 C ATOM 1167 CG LYS A 105 5.467 10.530 3.794 1.00 0.00 C ATOM 1168 CD LYS A 105 6.944 10.437 4.185 1.00 0.00 C ATOM 1169 CE LYS A 105 7.481 11.837 4.487 1.00 0.00 C ATOM 1170 NZ LYS A 105 8.967 11.787 4.589 1.00 0.00 N ATOM 0 H LYS A 105 3.062 7.921 1.955 1.00 0.00 H new ATOM 0 HA LYS A 105 5.225 9.939 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.956 8.984 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.598 8.372 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.345 11.213 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.886 10.936 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.060 9.795 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.517 9.983 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.183 12.530 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.054 12.209 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.333 12.739 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.241 11.138 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.366 11.449 3.690 1.00 0.00 H new ATOM 1184 N LEU A 106 6.176 7.834 0.198 1.00 0.00 N ATOM 1185 CA LEU A 106 7.075 6.752 -0.293 1.00 0.00 C ATOM 1186 C LEU A 106 8.254 6.592 0.670 1.00 0.00 C ATOM 1187 O LEU A 106 9.234 7.306 0.591 1.00 0.00 O ATOM 1188 CB LEU A 106 7.599 7.117 -1.684 1.00 0.00 C ATOM 1189 CG LEU A 106 6.885 6.268 -2.737 1.00 0.00 C ATOM 1190 CD1 LEU A 106 5.502 6.858 -3.017 1.00 0.00 C ATOM 1191 CD2 LEU A 106 7.707 6.263 -4.028 1.00 0.00 C ATOM 0 H LEU A 106 5.880 8.507 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 106 6.520 5.815 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.432 8.176 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.675 6.949 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 106 6.777 5.248 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.993 6.253 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.916 6.864 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.609 7.878 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.200 5.658 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.814 7.284 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.693 5.843 -3.830 1.00 0.00 H new ATOM 1203 N ALA A 107 8.166 5.661 1.580 1.00 0.00 N ATOM 1204 CA ALA A 107 9.282 5.457 2.546 1.00 0.00 C ATOM 1205 C ALA A 107 10.273 4.441 1.974 1.00 0.00 C ATOM 1206 O ALA A 107 10.080 3.246 2.075 1.00 0.00 O ATOM 1207 CB ALA A 107 8.720 4.932 3.869 1.00 0.00 C ATOM 0 H ALA A 107 7.370 5.033 1.696 1.00 0.00 H new ATOM 0 HA ALA A 107 9.792 6.405 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.535 4.782 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.014 5.655 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.210 3.984 3.697 1.00 0.00 H new