USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 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 5 THR OG1 : rot 81:sc= 0.0486 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 69:sc= 0.373 USER MOD Single : A 9 TYR OH : rot 103:sc= 1.37 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -3.66! K(o=-3.7!,f=-2.3) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 29 TYR OH : rot 168:sc= 0.0564 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.11) USER MOD Single : A 34 SER OG : rot 64:sc= 0.736 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.219 (180deg=-1.84) USER MOD Single : A 39 SER OG : rot -85:sc= 0.301 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.304 K(o=-0.3,f=-3.9!) USER MOD Single : A 70 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0162) USER MOD Single : A 88 ASN : amide:sc= -6.54! C(o=-6.5!,f=-3.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.252 -0.818 -20.031 1.00 0.00 N ATOM 44 CA VAL A 4 -11.117 -0.594 -18.565 1.00 0.00 C ATOM 45 C VAL A 4 -10.532 0.797 -18.312 1.00 0.00 C ATOM 46 O VAL A 4 -10.193 1.514 -19.232 1.00 0.00 O ATOM 47 CB VAL A 4 -10.187 -1.654 -17.971 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.733 -3.048 -18.286 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.791 -1.505 -18.581 1.00 0.00 C ATOM 0 HA VAL A 4 -12.098 -0.666 -18.095 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.130 -1.522 -16.891 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.070 -3.803 -17.863 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.728 -3.155 -17.854 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.791 -3.181 -19.366 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.127 -2.259 -18.159 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.850 -1.637 -19.661 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.400 -0.512 -18.358 1.00 0.00 H new ATOM 59 N THR A 5 -10.413 1.183 -17.071 1.00 0.00 N ATOM 60 CA THR A 5 -9.850 2.528 -16.762 1.00 0.00 C ATOM 61 C THR A 5 -8.489 2.366 -16.082 1.00 0.00 C ATOM 62 O THR A 5 -8.136 1.297 -15.623 1.00 0.00 O ATOM 63 CB THR A 5 -10.802 3.276 -15.825 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.144 2.939 -16.148 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.600 4.784 -15.986 1.00 0.00 C ATOM 0 H THR A 5 -10.681 0.626 -16.259 1.00 0.00 H new ATOM 0 HA THR A 5 -9.730 3.094 -17.686 1.00 0.00 H new ATOM 0 HB THR A 5 -10.594 2.992 -14.793 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.374 2.081 -15.735 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.278 5.315 -15.318 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.570 5.042 -15.738 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.807 5.071 -17.017 1.00 0.00 H new ATOM 73 N LYS A 6 -7.720 3.419 -16.013 1.00 0.00 N ATOM 74 CA LYS A 6 -6.383 3.324 -15.363 1.00 0.00 C ATOM 75 C LYS A 6 -6.215 4.475 -14.371 1.00 0.00 C ATOM 76 O LYS A 6 -6.689 5.572 -14.591 1.00 0.00 O ATOM 77 CB LYS A 6 -5.290 3.407 -16.431 1.00 0.00 C ATOM 78 CG LYS A 6 -4.174 2.414 -16.100 1.00 0.00 C ATOM 79 CD LYS A 6 -3.203 2.325 -17.278 1.00 0.00 C ATOM 80 CE LYS A 6 -3.464 1.034 -18.057 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.436 0.883 -19.126 1.00 0.00 N ATOM 0 H LYS A 6 -7.960 4.340 -16.379 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.303 2.374 -14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.709 3.185 -17.413 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.888 4.419 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.644 2.732 -15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.597 1.432 -15.889 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.327 3.188 -17.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.174 2.343 -16.918 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.433 0.177 -17.384 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.461 1.057 -18.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.613 0.006 -19.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.487 1.695 -19.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.490 0.843 -18.695 1.00 0.00 H new ATOM 95 N TYR A 7 -5.544 4.236 -13.277 1.00 0.00 N ATOM 96 CA TYR A 7 -5.347 5.318 -12.271 1.00 0.00 C ATOM 97 C TYR A 7 -3.860 5.669 -12.186 1.00 0.00 C ATOM 98 O TYR A 7 -3.003 4.824 -12.344 1.00 0.00 O ATOM 99 CB TYR A 7 -5.837 4.837 -10.903 1.00 0.00 C ATOM 100 CG TYR A 7 -7.187 5.446 -10.610 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.150 5.536 -11.624 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.477 5.920 -9.326 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.401 6.101 -11.352 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.730 6.485 -9.054 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.691 6.575 -10.067 1.00 0.00 C ATOM 106 OH TYR A 7 -10.926 7.131 -9.799 1.00 0.00 O ATOM 0 H TYR A 7 -5.124 3.338 -13.037 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.912 6.201 -12.570 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.906 3.749 -10.891 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.123 5.119 -10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.927 5.169 -12.615 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.735 5.850 -8.544 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.143 6.171 -12.134 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.954 6.851 -8.063 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.612 6.432 -9.826 1.00 0.00 H new ATOM 116 N PHE A 8 -3.548 6.912 -11.936 1.00 0.00 N ATOM 117 CA PHE A 8 -2.117 7.317 -11.841 1.00 0.00 C ATOM 118 C PHE A 8 -1.794 7.709 -10.398 1.00 0.00 C ATOM 119 O PHE A 8 -2.662 8.095 -9.640 1.00 0.00 O ATOM 120 CB PHE A 8 -1.862 8.511 -12.763 1.00 0.00 C ATOM 121 CG PHE A 8 -1.945 8.063 -14.202 1.00 0.00 C ATOM 122 CD1 PHE A 8 -3.151 7.566 -14.713 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.817 8.144 -15.028 1.00 0.00 C ATOM 124 CE1 PHE A 8 -3.228 7.152 -16.048 1.00 0.00 C ATOM 125 CE2 PHE A 8 -0.894 7.729 -16.362 1.00 0.00 C ATOM 126 CZ PHE A 8 -2.100 7.233 -16.872 1.00 0.00 C ATOM 0 H PHE A 8 -4.222 7.664 -11.794 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.482 6.484 -12.143 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.595 9.294 -12.572 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.880 8.938 -12.560 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.021 7.502 -14.077 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.113 8.527 -14.635 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.158 6.770 -16.442 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.023 7.791 -16.998 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.160 6.913 -17.902 1.00 0.00 H new ATOM 136 N TYR A 9 -0.551 7.613 -10.012 1.00 0.00 N ATOM 137 CA TYR A 9 -0.173 7.982 -8.618 1.00 0.00 C ATOM 138 C TYR A 9 1.200 8.656 -8.624 1.00 0.00 C ATOM 139 O TYR A 9 2.224 8.003 -8.592 1.00 0.00 O ATOM 140 CB TYR A 9 -0.118 6.719 -7.754 1.00 0.00 C ATOM 141 CG TYR A 9 0.494 7.053 -6.415 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.305 7.571 -5.389 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.861 6.842 -6.199 1.00 0.00 C ATOM 144 CE1 TYR A 9 0.262 7.879 -4.148 1.00 0.00 C ATOM 145 CE2 TYR A 9 2.428 7.150 -4.957 1.00 0.00 C ATOM 146 CZ TYR A 9 1.629 7.668 -3.931 1.00 0.00 C ATOM 147 OH TYR A 9 2.189 7.972 -2.707 1.00 0.00 O ATOM 0 H TYR A 9 0.219 7.295 -10.601 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.914 8.670 -8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.121 6.315 -7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.470 5.949 -8.253 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.360 7.733 -5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.478 6.442 -6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.355 8.280 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.483 6.988 -4.790 1.00 0.00 H new ATOM 0 HH TYR A 9 2.327 7.147 -2.196 1.00 0.00 H new ATOM 157 N LYS A 10 1.231 9.960 -8.663 1.00 0.00 N ATOM 158 CA LYS A 10 2.538 10.675 -8.671 1.00 0.00 C ATOM 159 C LYS A 10 3.242 10.465 -7.328 1.00 0.00 C ATOM 160 O LYS A 10 2.956 11.133 -6.356 1.00 0.00 O ATOM 161 CB LYS A 10 2.301 12.171 -8.893 1.00 0.00 C ATOM 162 CG LYS A 10 3.582 12.817 -9.422 1.00 0.00 C ATOM 163 CD LYS A 10 3.810 14.154 -8.713 1.00 0.00 C ATOM 164 CE LYS A 10 4.896 14.943 -9.446 1.00 0.00 C ATOM 165 NZ LYS A 10 5.443 15.993 -8.542 1.00 0.00 N ATOM 0 H LYS A 10 0.407 10.561 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 10 3.161 10.283 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.486 12.320 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.001 12.645 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.432 12.155 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.506 12.972 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.883 14.727 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.106 13.983 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.693 14.273 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.484 15.401 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.182 16.530 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.679 16.638 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.851 15.545 -7.697 1.00 0.00 H new ATOM 179 N GLY A 11 4.162 9.541 -7.269 1.00 0.00 N ATOM 180 CA GLY A 11 4.884 9.290 -5.989 1.00 0.00 C ATOM 181 C GLY A 11 5.877 10.424 -5.731 1.00 0.00 C ATOM 182 O GLY A 11 6.080 11.285 -6.565 1.00 0.00 O ATOM 0 H GLY A 11 4.445 8.950 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.173 9.221 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.410 8.336 -6.037 1.00 0.00 H new ATOM 186 N GLU A 12 6.498 10.432 -4.584 1.00 0.00 N ATOM 187 CA GLU A 12 7.477 11.511 -4.275 1.00 0.00 C ATOM 188 C GLU A 12 8.338 11.788 -5.510 1.00 0.00 C ATOM 189 O GLU A 12 8.605 12.923 -5.851 1.00 0.00 O ATOM 190 CB GLU A 12 8.376 11.069 -3.117 1.00 0.00 C ATOM 191 CG GLU A 12 9.055 12.294 -2.502 1.00 0.00 C ATOM 192 CD GLU A 12 8.150 12.894 -1.425 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.139 12.364 -0.325 1.00 0.00 O ATOM 194 OE2 GLU A 12 7.483 13.872 -1.717 1.00 0.00 O ATOM 0 H GLU A 12 6.370 9.738 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 12 6.941 12.417 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.786 10.550 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.127 10.365 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.015 12.012 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.259 13.035 -3.274 1.00 0.00 H new ATOM 201 N ASN A 13 8.772 10.758 -6.184 1.00 0.00 N ATOM 202 CA ASN A 13 9.613 10.963 -7.397 1.00 0.00 C ATOM 203 C ASN A 13 9.278 9.892 -8.437 1.00 0.00 C ATOM 204 O ASN A 13 9.251 10.153 -9.623 1.00 0.00 O ATOM 205 CB ASN A 13 11.092 10.858 -7.015 1.00 0.00 C ATOM 206 CG ASN A 13 11.338 11.615 -5.709 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.848 11.059 -4.757 1.00 0.00 O ATOM 208 ND2 ASN A 13 10.993 12.872 -5.622 1.00 0.00 N ATOM 0 H ASN A 13 8.581 9.784 -5.947 1.00 0.00 H new ATOM 0 HA ASN A 13 9.414 11.950 -7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.375 9.812 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.714 11.271 -7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.152 13.386 -4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.565 13.340 -6.421 1.00 0.00 H new ATOM 215 N THR A 14 9.021 8.688 -8.001 1.00 0.00 N ATOM 216 CA THR A 14 8.687 7.603 -8.965 1.00 0.00 C ATOM 217 C THR A 14 7.182 7.609 -9.238 1.00 0.00 C ATOM 218 O THR A 14 6.382 7.845 -8.356 1.00 0.00 O ATOM 219 CB THR A 14 9.092 6.251 -8.371 1.00 0.00 C ATOM 220 OG1 THR A 14 10.292 6.405 -7.626 1.00 0.00 O ATOM 221 CG2 THR A 14 9.315 5.242 -9.499 1.00 0.00 C ATOM 0 H THR A 14 9.028 8.410 -7.020 1.00 0.00 H new ATOM 0 HA THR A 14 9.226 7.767 -9.898 1.00 0.00 H new ATOM 0 HB THR A 14 8.300 5.889 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.553 5.541 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.603 4.280 -9.075 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.394 5.125 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.107 5.601 -10.157 1.00 0.00 H new ATOM 229 N ASP A 15 6.790 7.352 -10.456 1.00 0.00 N ATOM 230 CA ASP A 15 5.336 7.344 -10.784 1.00 0.00 C ATOM 231 C ASP A 15 4.836 5.899 -10.853 1.00 0.00 C ATOM 232 O ASP A 15 5.427 5.058 -11.500 1.00 0.00 O ATOM 233 CB ASP A 15 5.115 8.024 -12.137 1.00 0.00 C ATOM 234 CG ASP A 15 3.723 8.658 -12.170 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.764 7.948 -11.912 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.639 9.841 -12.450 1.00 0.00 O ATOM 0 H ASP A 15 7.413 7.147 -11.237 1.00 0.00 H new ATOM 0 HA ASP A 15 4.787 7.882 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.877 8.786 -12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.213 7.296 -12.942 1.00 0.00 H new ATOM 241 N LEU A 16 3.752 5.605 -10.188 1.00 0.00 N ATOM 242 CA LEU A 16 3.215 4.216 -10.216 1.00 0.00 C ATOM 243 C LEU A 16 1.815 4.223 -10.832 1.00 0.00 C ATOM 244 O LEU A 16 1.012 5.094 -10.562 1.00 0.00 O ATOM 245 CB LEU A 16 3.142 3.670 -8.788 1.00 0.00 C ATOM 246 CG LEU A 16 4.513 3.799 -8.121 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.334 3.910 -6.606 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.356 2.564 -8.446 1.00 0.00 C ATOM 0 H LEU A 16 3.216 6.267 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 16 3.871 3.584 -10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.394 4.219 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.830 2.626 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 16 5.016 4.691 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.310 4.002 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.733 4.789 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.831 3.018 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.333 2.655 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.853 1.672 -8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.483 2.484 -9.526 1.00 0.00 H new ATOM 260 N ILE A 17 1.514 3.258 -11.658 1.00 0.00 N ATOM 261 CA ILE A 17 0.167 3.211 -12.290 1.00 0.00 C ATOM 262 C ILE A 17 -0.532 1.904 -11.906 1.00 0.00 C ATOM 263 O ILE A 17 0.096 0.876 -11.749 1.00 0.00 O ATOM 264 CB ILE A 17 0.314 3.282 -13.811 1.00 0.00 C ATOM 265 CG1 ILE A 17 0.940 4.623 -14.199 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.063 3.156 -14.465 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.651 4.484 -15.546 1.00 0.00 C ATOM 0 H ILE A 17 2.144 2.500 -11.922 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.426 4.057 -11.942 1.00 0.00 H new ATOM 0 HB ILE A 17 0.953 2.468 -14.152 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.170 5.392 -14.260 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.648 4.941 -13.433 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.957 3.207 -15.549 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.511 2.202 -14.188 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.703 3.970 -14.125 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.097 5.439 -15.822 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.432 3.728 -15.469 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.931 4.186 -16.308 1.00 0.00 H new ATOM 279 N VAL A 18 -1.827 1.937 -11.754 1.00 0.00 N ATOM 280 CA VAL A 18 -2.564 0.697 -11.381 1.00 0.00 C ATOM 281 C VAL A 18 -3.754 0.506 -12.324 1.00 0.00 C ATOM 282 O VAL A 18 -4.148 1.412 -13.033 1.00 0.00 O ATOM 283 CB VAL A 18 -3.069 0.816 -9.942 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.892 1.112 -9.010 1.00 0.00 C ATOM 285 CG2 VAL A 18 -4.087 1.956 -9.853 1.00 0.00 C ATOM 0 H VAL A 18 -2.406 2.768 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.895 -0.160 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.542 -0.120 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.252 1.197 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.165 0.302 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.419 2.048 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.448 2.042 -8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.613 2.891 -10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.926 1.747 -10.517 1.00 0.00 H new ATOM 295 N PHE A 19 -4.329 -0.665 -12.341 1.00 0.00 N ATOM 296 CA PHE A 19 -5.492 -0.912 -13.239 1.00 0.00 C ATOM 297 C PHE A 19 -6.791 -0.621 -12.485 1.00 0.00 C ATOM 298 O PHE A 19 -6.803 -0.490 -11.278 1.00 0.00 O ATOM 299 CB PHE A 19 -5.483 -2.373 -13.695 1.00 0.00 C ATOM 300 CG PHE A 19 -4.689 -2.497 -14.973 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.409 -1.937 -15.060 1.00 0.00 C ATOM 302 CD2 PHE A 19 -5.232 -3.174 -16.072 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.673 -2.053 -16.244 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.496 -3.290 -17.258 1.00 0.00 C ATOM 305 CZ PHE A 19 -3.216 -2.730 -17.343 1.00 0.00 C ATOM 0 H PHE A 19 -4.044 -1.462 -11.772 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.424 -0.259 -14.109 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.047 -3.004 -12.921 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.503 -2.722 -13.853 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.989 -1.415 -14.213 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.219 -3.607 -16.005 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.686 -1.620 -16.311 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.916 -3.811 -18.106 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.647 -2.820 -18.256 1.00 0.00 H new ATOM 315 N ALA A 20 -7.885 -0.518 -13.188 1.00 0.00 N ATOM 316 CA ALA A 20 -9.182 -0.236 -12.512 1.00 0.00 C ATOM 317 C ALA A 20 -10.335 -0.685 -13.413 1.00 0.00 C ATOM 318 O ALA A 20 -10.222 -0.699 -14.622 1.00 0.00 O ATOM 319 CB ALA A 20 -9.300 1.266 -12.240 1.00 0.00 C ATOM 0 H ALA A 20 -7.937 -0.617 -14.202 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.226 -0.780 -11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.249 1.473 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.479 1.585 -11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.256 1.811 -13.183 1.00 0.00 H new ATOM 325 N ALA A 21 -11.444 -1.055 -12.833 1.00 0.00 N ATOM 326 CA ALA A 21 -12.602 -1.503 -13.656 1.00 0.00 C ATOM 327 C ALA A 21 -13.431 -0.287 -14.076 1.00 0.00 C ATOM 328 O ALA A 21 -13.420 0.119 -15.221 1.00 0.00 O ATOM 329 CB ALA A 21 -13.473 -2.456 -12.836 1.00 0.00 C ATOM 0 H ALA A 21 -11.598 -1.066 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.238 -2.018 -14.545 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.320 -2.784 -13.438 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.883 -3.323 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.837 -1.942 -11.947 1.00 0.00 H new ATOM 335 N SER A 22 -14.151 0.296 -13.157 1.00 0.00 N ATOM 336 CA SER A 22 -14.980 1.484 -13.505 1.00 0.00 C ATOM 337 C SER A 22 -14.905 2.508 -12.370 1.00 0.00 C ATOM 338 O SER A 22 -14.617 2.175 -11.238 1.00 0.00 O ATOM 339 CB SER A 22 -16.434 1.051 -13.704 1.00 0.00 C ATOM 340 OG SER A 22 -17.259 2.204 -13.797 1.00 0.00 O ATOM 0 H SER A 22 -14.201 0.001 -12.182 1.00 0.00 H new ATOM 0 HA SER A 22 -14.605 1.932 -14.425 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.526 0.450 -14.609 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.756 0.425 -12.872 1.00 0.00 H new ATOM 0 HG SER A 22 -18.191 1.930 -13.926 1.00 0.00 H new ATOM 346 N GLU A 23 -15.162 3.754 -12.665 1.00 0.00 N ATOM 347 CA GLU A 23 -15.106 4.797 -11.603 1.00 0.00 C ATOM 348 C GLU A 23 -16.230 4.560 -10.594 1.00 0.00 C ATOM 349 O GLU A 23 -16.006 4.504 -9.401 1.00 0.00 O ATOM 350 CB GLU A 23 -15.272 6.180 -12.239 1.00 0.00 C ATOM 351 CG GLU A 23 -14.150 7.103 -11.760 1.00 0.00 C ATOM 352 CD GLU A 23 -14.258 7.295 -10.246 1.00 0.00 C ATOM 353 OE1 GLU A 23 -14.942 8.218 -9.833 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.656 6.516 -9.526 1.00 0.00 O ATOM 0 H GLU A 23 -15.408 4.094 -13.595 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.145 4.745 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.249 6.097 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.242 6.600 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.180 6.676 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.217 8.067 -12.265 1.00 0.00 H new ATOM 361 N GLU A 24 -17.440 4.421 -11.063 1.00 0.00 N ATOM 362 CA GLU A 24 -18.579 4.186 -10.129 1.00 0.00 C ATOM 363 C GLU A 24 -18.183 3.128 -9.097 1.00 0.00 C ATOM 364 O GLU A 24 -18.270 3.347 -7.905 1.00 0.00 O ATOM 365 CB GLU A 24 -19.794 3.699 -10.920 1.00 0.00 C ATOM 366 CG GLU A 24 -20.940 3.387 -9.956 1.00 0.00 C ATOM 367 CD GLU A 24 -22.209 3.078 -10.752 1.00 0.00 C ATOM 368 OE1 GLU A 24 -22.118 2.312 -11.698 1.00 0.00 O ATOM 369 OE2 GLU A 24 -23.248 3.612 -10.404 1.00 0.00 O ATOM 0 H GLU A 24 -17.690 4.460 -12.051 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.828 5.116 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.104 4.460 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.535 2.809 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.678 2.537 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.112 4.235 -9.293 1.00 0.00 H new ATOM 376 N LEU A 25 -17.749 1.983 -9.546 1.00 0.00 N ATOM 377 CA LEU A 25 -17.348 0.912 -8.589 1.00 0.00 C ATOM 378 C LEU A 25 -16.251 1.439 -7.663 1.00 0.00 C ATOM 379 O LEU A 25 -16.149 1.045 -6.517 1.00 0.00 O ATOM 380 CB LEU A 25 -16.823 -0.296 -9.367 1.00 0.00 C ATOM 381 CG LEU A 25 -17.997 -1.054 -9.988 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.466 -2.135 -10.932 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.825 -1.709 -8.879 1.00 0.00 C ATOM 0 H LEU A 25 -17.654 1.742 -10.533 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.212 0.614 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.135 0.031 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.262 -0.954 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.622 -0.358 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.303 -2.675 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.876 -1.670 -11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.840 -2.831 -10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.662 -2.250 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.199 -2.404 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.204 -0.940 -8.206 1.00 0.00 H new ATOM 395 N VAL A 26 -15.428 2.328 -8.149 1.00 0.00 N ATOM 396 CA VAL A 26 -14.339 2.880 -7.294 1.00 0.00 C ATOM 397 C VAL A 26 -14.939 3.812 -6.240 1.00 0.00 C ATOM 398 O VAL A 26 -14.968 3.500 -5.066 1.00 0.00 O ATOM 399 CB VAL A 26 -13.355 3.663 -8.167 1.00 0.00 C ATOM 400 CG1 VAL A 26 -12.274 4.287 -7.283 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.704 2.715 -9.176 1.00 0.00 C ATOM 0 H VAL A 26 -15.463 2.695 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.816 2.062 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.888 4.451 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.573 4.845 -7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.737 4.962 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.740 3.500 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.003 3.271 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.171 1.928 -8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.474 2.270 -9.806 1.00 0.00 H new ATOM 411 N ASP A 27 -15.418 4.955 -6.648 1.00 0.00 N ATOM 412 CA ASP A 27 -16.016 5.906 -5.669 1.00 0.00 C ATOM 413 C ASP A 27 -16.859 5.131 -4.654 1.00 0.00 C ATOM 414 O ASP A 27 -17.145 5.610 -3.575 1.00 0.00 O ATOM 415 CB ASP A 27 -16.902 6.910 -6.409 1.00 0.00 C ATOM 416 CG ASP A 27 -16.637 8.317 -5.871 1.00 0.00 C ATOM 417 OD1 ASP A 27 -15.588 8.859 -6.177 1.00 0.00 O ATOM 418 OD2 ASP A 27 -17.488 8.831 -5.164 1.00 0.00 O ATOM 0 H ASP A 27 -15.421 5.272 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.221 6.439 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.696 6.873 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.952 6.651 -6.277 1.00 0.00 H new ATOM 423 N GLU A 28 -17.261 3.936 -4.992 1.00 0.00 N ATOM 424 CA GLU A 28 -18.086 3.133 -4.046 1.00 0.00 C ATOM 425 C GLU A 28 -17.172 2.436 -3.037 1.00 0.00 C ATOM 426 O GLU A 28 -17.393 2.489 -1.844 1.00 0.00 O ATOM 427 CB GLU A 28 -18.878 2.081 -4.827 1.00 0.00 C ATOM 428 CG GLU A 28 -20.315 2.570 -5.028 1.00 0.00 C ATOM 429 CD GLU A 28 -21.147 2.230 -3.789 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.613 2.323 -2.697 1.00 0.00 O ATOM 431 OE2 GLU A 28 -22.304 1.882 -3.956 1.00 0.00 O ATOM 0 H GLU A 28 -17.054 3.482 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.776 3.791 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.406 1.898 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.877 1.134 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.324 3.646 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.750 2.102 -5.911 1.00 0.00 H new ATOM 438 N TYR A 29 -16.144 1.781 -3.505 1.00 0.00 N ATOM 439 CA TYR A 29 -15.218 1.081 -2.572 1.00 0.00 C ATOM 440 C TYR A 29 -14.754 2.056 -1.487 1.00 0.00 C ATOM 441 O TYR A 29 -14.821 1.766 -0.309 1.00 0.00 O ATOM 442 CB TYR A 29 -14.004 0.567 -3.348 1.00 0.00 C ATOM 443 CG TYR A 29 -12.906 0.196 -2.381 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.928 -1.050 -1.742 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.866 1.097 -2.123 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.911 -1.394 -0.844 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.849 0.753 -1.225 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.871 -0.492 -0.586 1.00 0.00 C ATOM 449 OH TYR A 29 -9.867 -0.831 0.299 1.00 0.00 O ATOM 0 H TYR A 29 -15.906 1.701 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.736 0.241 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.283 -0.300 -3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.651 1.332 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.730 -1.745 -1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.848 2.057 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.928 -2.354 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.047 1.448 -1.025 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.133 -0.185 0.224 1.00 0.00 H new ATOM 459 N LEU A 30 -14.283 3.210 -1.874 1.00 0.00 N ATOM 460 CA LEU A 30 -13.815 4.200 -0.864 1.00 0.00 C ATOM 461 C LEU A 30 -14.779 4.210 0.325 1.00 0.00 C ATOM 462 O LEU A 30 -14.368 4.252 1.468 1.00 0.00 O ATOM 463 CB LEU A 30 -13.771 5.593 -1.497 1.00 0.00 C ATOM 464 CG LEU A 30 -12.394 5.826 -2.122 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.501 6.901 -3.205 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.417 6.289 -1.039 1.00 0.00 C ATOM 0 H LEU A 30 -14.202 3.510 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.818 3.925 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.547 5.683 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.973 6.353 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.033 4.898 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.520 7.067 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.199 6.573 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.860 7.830 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.435 6.456 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.778 7.217 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.341 5.524 -0.266 1.00 0.00 H new ATOM 478 N LYS A 31 -16.057 4.172 0.064 1.00 0.00 N ATOM 479 CA LYS A 31 -17.045 4.178 1.180 1.00 0.00 C ATOM 480 C LYS A 31 -17.122 2.782 1.800 1.00 0.00 C ATOM 481 O LYS A 31 -17.664 2.597 2.872 1.00 0.00 O ATOM 482 CB LYS A 31 -18.421 4.573 0.640 1.00 0.00 C ATOM 483 CG LYS A 31 -18.369 6.008 0.109 1.00 0.00 C ATOM 484 CD LYS A 31 -19.724 6.379 -0.499 1.00 0.00 C ATOM 485 CE LYS A 31 -20.394 7.451 0.362 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.676 7.868 -0.273 1.00 0.00 N ATOM 0 H LYS A 31 -16.459 4.137 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.733 4.896 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.721 3.890 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.169 4.493 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.120 6.697 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.584 6.101 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.590 6.746 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.361 5.496 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.581 7.064 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.733 8.311 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.132 8.597 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.485 8.253 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.307 7.045 -0.355 1.00 0.00 H new ATOM 500 N ASN A 32 -16.584 1.796 1.133 1.00 0.00 N ATOM 501 CA ASN A 32 -16.627 0.413 1.684 1.00 0.00 C ATOM 502 C ASN A 32 -15.220 -0.189 1.658 1.00 0.00 C ATOM 503 O ASN A 32 -14.918 -1.046 0.852 1.00 0.00 O ATOM 504 CB ASN A 32 -17.564 -0.446 0.833 1.00 0.00 C ATOM 505 CG ASN A 32 -19.010 0.000 1.057 1.00 0.00 C ATOM 506 OD1 ASN A 32 -19.849 -0.162 0.192 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.341 0.558 2.189 1.00 0.00 N ATOM 0 H ASN A 32 -16.117 1.890 0.231 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.992 0.442 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.303 -0.353 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.451 -1.497 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.303 0.858 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.638 0.694 2.915 1.00 0.00 H new ATOM 514 N PRO A 33 -14.367 0.261 2.538 1.00 0.00 N ATOM 515 CA PRO A 33 -12.962 -0.233 2.626 1.00 0.00 C ATOM 516 C PRO A 33 -12.877 -1.631 3.246 1.00 0.00 C ATOM 517 O PRO A 33 -13.367 -1.870 4.332 1.00 0.00 O ATOM 518 CB PRO A 33 -12.271 0.793 3.523 1.00 0.00 C ATOM 519 CG PRO A 33 -13.356 1.389 4.359 1.00 0.00 C ATOM 520 CD PRO A 33 -14.649 1.294 3.547 1.00 0.00 C ATOM 0 HA PRO A 33 -12.504 -0.328 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.511 0.321 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.768 1.557 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.453 0.854 5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.129 2.427 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.495 1.016 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.898 2.248 3.082 1.00 0.00 H new ATOM 528 N SER A 34 -12.260 -2.555 2.563 1.00 0.00 N ATOM 529 CA SER A 34 -12.144 -3.935 3.112 1.00 0.00 C ATOM 530 C SER A 34 -11.547 -4.858 2.048 1.00 0.00 C ATOM 531 O SER A 34 -11.795 -4.704 0.868 1.00 0.00 O ATOM 532 CB SER A 34 -13.530 -4.445 3.509 1.00 0.00 C ATOM 533 OG SER A 34 -13.641 -4.447 4.926 1.00 0.00 O ATOM 0 H SER A 34 -11.831 -2.414 1.648 1.00 0.00 H new ATOM 0 HA SER A 34 -11.497 -3.924 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.302 -3.811 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.686 -5.451 3.119 1.00 0.00 H new ATOM 0 HG SER A 34 -13.584 -3.527 5.260 1.00 0.00 H new ATOM 539 N ILE A 35 -10.762 -5.818 2.454 1.00 0.00 N ATOM 540 CA ILE A 35 -10.149 -6.749 1.465 1.00 0.00 C ATOM 541 C ILE A 35 -11.218 -7.710 0.939 1.00 0.00 C ATOM 542 O ILE A 35 -11.126 -8.909 1.110 1.00 0.00 O ATOM 543 CB ILE A 35 -9.032 -7.547 2.139 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.029 -6.581 2.775 1.00 0.00 C ATOM 545 CG2 ILE A 35 -8.318 -8.408 1.096 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.492 -5.627 1.707 1.00 0.00 C ATOM 0 H ILE A 35 -10.519 -5.998 3.428 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.735 -6.176 0.635 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.459 -8.189 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.509 -6.016 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.208 -7.138 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.522 -8.977 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.031 -9.095 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.891 -7.766 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.778 -4.939 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.997 -6.200 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.318 -5.061 1.276 1.00 0.00 H new ATOM 558 N GLY A 36 -12.232 -7.192 0.301 1.00 0.00 N ATOM 559 CA GLY A 36 -13.305 -8.076 -0.235 1.00 0.00 C ATOM 560 C GLY A 36 -13.846 -7.491 -1.540 1.00 0.00 C ATOM 561 O GLY A 36 -13.990 -8.181 -2.529 1.00 0.00 O ATOM 0 H GLY A 36 -12.363 -6.195 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.912 -9.078 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.110 -8.171 0.494 1.00 0.00 H new ATOM 565 N LYS A 37 -14.147 -6.221 -1.551 1.00 0.00 N ATOM 566 CA LYS A 37 -14.679 -5.592 -2.794 1.00 0.00 C ATOM 567 C LYS A 37 -13.513 -5.117 -3.664 1.00 0.00 C ATOM 568 O LYS A 37 -13.617 -5.048 -4.872 1.00 0.00 O ATOM 569 CB LYS A 37 -15.560 -4.397 -2.424 1.00 0.00 C ATOM 570 CG LYS A 37 -15.902 -3.605 -3.687 1.00 0.00 C ATOM 571 CD LYS A 37 -16.940 -2.533 -3.353 1.00 0.00 C ATOM 572 CE LYS A 37 -17.602 -2.043 -4.643 1.00 0.00 C ATOM 573 NZ LYS A 37 -16.550 -1.624 -5.612 1.00 0.00 N ATOM 0 H LYS A 37 -14.048 -5.592 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.271 -6.322 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.474 -4.741 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.042 -3.757 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.003 -3.141 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.290 -4.275 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.693 -2.939 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.464 -1.699 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.214 -2.835 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.268 -1.207 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.848 -0.751 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.659 -1.453 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.408 -2.375 -6.317 1.00 0.00 H new ATOM 587 N LEU A 38 -12.404 -4.789 -3.059 1.00 0.00 N ATOM 588 CA LEU A 38 -11.234 -4.319 -3.853 1.00 0.00 C ATOM 589 C LEU A 38 -10.899 -5.356 -4.928 1.00 0.00 C ATOM 590 O LEU A 38 -10.317 -5.041 -5.947 1.00 0.00 O ATOM 591 CB LEU A 38 -10.030 -4.137 -2.928 1.00 0.00 C ATOM 592 CG LEU A 38 -8.908 -3.423 -3.684 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.245 -1.936 -3.812 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.595 -3.583 -2.915 1.00 0.00 C ATOM 0 H LEU A 38 -12.258 -4.826 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.475 -3.368 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.317 -3.558 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.683 -5.107 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.804 -3.859 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.446 -1.427 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.181 -1.821 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.348 -1.500 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.794 -3.075 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.700 -3.146 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.354 -4.642 -2.822 1.00 0.00 H new ATOM 606 N SER A 39 -11.262 -6.589 -4.709 1.00 0.00 N ATOM 607 CA SER A 39 -10.965 -7.645 -5.719 1.00 0.00 C ATOM 608 C SER A 39 -11.887 -7.468 -6.926 1.00 0.00 C ATOM 609 O SER A 39 -11.523 -7.769 -8.046 1.00 0.00 O ATOM 610 CB SER A 39 -11.195 -9.023 -5.098 1.00 0.00 C ATOM 611 OG SER A 39 -12.591 -9.280 -5.032 1.00 0.00 O ATOM 0 H SER A 39 -11.752 -6.912 -3.874 1.00 0.00 H new ATOM 0 HA SER A 39 -9.927 -7.561 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.700 -9.790 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.758 -9.063 -4.100 1.00 0.00 H new ATOM 0 HG SER A 39 -12.958 -8.885 -4.214 1.00 0.00 H new ATOM 617 N GLU A 40 -13.078 -6.982 -6.709 1.00 0.00 N ATOM 618 CA GLU A 40 -14.022 -6.787 -7.846 1.00 0.00 C ATOM 619 C GLU A 40 -13.659 -5.504 -8.595 1.00 0.00 C ATOM 620 O GLU A 40 -13.934 -5.360 -9.769 1.00 0.00 O ATOM 621 CB GLU A 40 -15.451 -6.677 -7.309 1.00 0.00 C ATOM 622 CG GLU A 40 -16.437 -6.672 -8.478 1.00 0.00 C ATOM 623 CD GLU A 40 -17.741 -6.001 -8.044 1.00 0.00 C ATOM 624 OE1 GLU A 40 -17.827 -4.789 -8.156 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.633 -6.710 -7.606 1.00 0.00 O ATOM 0 H GLU A 40 -13.439 -6.711 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.953 -7.637 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.665 -7.512 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.561 -5.765 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.008 -6.141 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.633 -7.693 -8.807 1.00 0.00 H new ATOM 632 N VAL A 41 -13.040 -4.569 -7.926 1.00 0.00 N ATOM 633 CA VAL A 41 -12.660 -3.297 -8.601 1.00 0.00 C ATOM 634 C VAL A 41 -11.341 -3.492 -9.351 1.00 0.00 C ATOM 635 O VAL A 41 -11.287 -3.416 -10.563 1.00 0.00 O ATOM 636 CB VAL A 41 -12.491 -2.195 -7.554 1.00 0.00 C ATOM 637 CG1 VAL A 41 -12.394 -0.837 -8.251 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.698 -2.198 -6.614 1.00 0.00 C ATOM 0 H VAL A 41 -12.781 -4.632 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.441 -3.013 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.581 -2.375 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.274 -0.052 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.536 -0.833 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.304 -0.656 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.579 -1.413 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.607 -2.018 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.769 -3.165 -6.116 1.00 0.00 H new ATOM 648 N VAL A 42 -10.275 -3.746 -8.642 1.00 0.00 N ATOM 649 CA VAL A 42 -8.961 -3.947 -9.315 1.00 0.00 C ATOM 650 C VAL A 42 -8.961 -5.294 -10.040 1.00 0.00 C ATOM 651 O VAL A 42 -9.276 -6.318 -9.468 1.00 0.00 O ATOM 652 CB VAL A 42 -7.844 -3.931 -8.270 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.527 -4.353 -8.924 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.700 -2.517 -7.702 1.00 0.00 C ATOM 0 H VAL A 42 -10.258 -3.823 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.796 -3.146 -10.035 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.089 -4.625 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.731 -4.342 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.629 -5.359 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.281 -3.659 -9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.904 -2.503 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.455 -1.825 -8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.638 -2.215 -7.237 1.00 0.00 H new ATOM 664 N GLU A 43 -8.612 -5.301 -11.298 1.00 0.00 N ATOM 665 CA GLU A 43 -8.593 -6.583 -12.059 1.00 0.00 C ATOM 666 C GLU A 43 -7.320 -7.361 -11.715 1.00 0.00 C ATOM 667 O GLU A 43 -7.367 -8.527 -11.377 1.00 0.00 O ATOM 668 CB GLU A 43 -8.619 -6.286 -13.559 1.00 0.00 C ATOM 669 CG GLU A 43 -9.095 -7.526 -14.318 1.00 0.00 C ATOM 670 CD GLU A 43 -8.813 -7.352 -15.812 1.00 0.00 C ATOM 671 OE1 GLU A 43 -7.656 -7.431 -16.189 1.00 0.00 O ATOM 672 OE2 GLU A 43 -9.759 -7.142 -16.552 1.00 0.00 O ATOM 0 H GLU A 43 -8.339 -4.475 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.466 -7.178 -11.791 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.283 -5.445 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.625 -5.997 -13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.585 -8.413 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.162 -7.678 -14.154 1.00 0.00 H new ATOM 679 N LEU A 44 -6.184 -6.725 -11.800 1.00 0.00 N ATOM 680 CA LEU A 44 -4.910 -7.428 -11.478 1.00 0.00 C ATOM 681 C LEU A 44 -4.323 -6.856 -10.186 1.00 0.00 C ATOM 682 O LEU A 44 -4.476 -5.687 -9.888 1.00 0.00 O ATOM 683 CB LEU A 44 -3.915 -7.230 -12.623 1.00 0.00 C ATOM 684 CG LEU A 44 -3.861 -8.499 -13.477 1.00 0.00 C ATOM 685 CD1 LEU A 44 -5.198 -8.690 -14.196 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.741 -8.366 -14.512 1.00 0.00 C ATOM 0 H LEU A 44 -6.083 -5.749 -12.078 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.106 -8.492 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.214 -6.379 -13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.926 -7.005 -12.225 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.668 -9.360 -12.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.158 -9.594 -14.804 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.997 -8.782 -13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.393 -7.830 -14.837 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.700 -9.269 -15.122 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.936 -7.505 -15.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.788 -8.230 -14.001 1.00 0.00 H new ATOM 698 N PHE A 45 -3.651 -7.668 -9.418 1.00 0.00 N ATOM 699 CA PHE A 45 -3.054 -7.169 -8.146 1.00 0.00 C ATOM 700 C PHE A 45 -1.544 -7.004 -8.324 1.00 0.00 C ATOM 701 O PHE A 45 -0.775 -7.903 -8.049 1.00 0.00 O ATOM 702 CB PHE A 45 -3.329 -8.174 -7.026 1.00 0.00 C ATOM 703 CG PHE A 45 -4.569 -7.761 -6.271 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.793 -7.650 -6.942 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.496 -7.490 -4.899 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.943 -7.267 -6.242 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.647 -7.107 -4.199 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.870 -6.995 -4.870 1.00 0.00 C ATOM 0 H PHE A 45 -3.489 -8.656 -9.616 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.497 -6.207 -7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.460 -9.172 -7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.477 -8.221 -6.348 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.850 -7.860 -8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.552 -7.576 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.887 -7.181 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.591 -6.898 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.757 -6.699 -4.330 1.00 0.00 H new ATOM 718 N GLU A 46 -1.112 -5.860 -8.780 1.00 0.00 N ATOM 719 CA GLU A 46 0.349 -5.640 -8.974 1.00 0.00 C ATOM 720 C GLU A 46 0.610 -4.155 -9.241 1.00 0.00 C ATOM 721 O GLU A 46 -0.280 -3.333 -9.157 1.00 0.00 O ATOM 722 CB GLU A 46 0.836 -6.466 -10.166 1.00 0.00 C ATOM 723 CG GLU A 46 2.228 -7.024 -9.866 1.00 0.00 C ATOM 724 CD GLU A 46 2.715 -7.851 -11.059 1.00 0.00 C ATOM 725 OE1 GLU A 46 1.990 -8.741 -11.472 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.803 -7.579 -11.537 1.00 0.00 O ATOM 0 H GLU A 46 -1.707 -5.069 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 46 0.885 -5.948 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.141 -7.282 -10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.866 -5.847 -11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.923 -6.208 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.198 -7.643 -8.969 1.00 0.00 H new ATOM 733 N VAL A 47 1.826 -3.807 -9.562 1.00 0.00 N ATOM 734 CA VAL A 47 2.144 -2.377 -9.835 1.00 0.00 C ATOM 735 C VAL A 47 2.930 -2.270 -11.144 1.00 0.00 C ATOM 736 O VAL A 47 3.941 -2.918 -11.327 1.00 0.00 O ATOM 737 CB VAL A 47 2.987 -1.816 -8.689 1.00 0.00 C ATOM 738 CG1 VAL A 47 3.204 -0.316 -8.901 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.257 -2.041 -7.363 1.00 0.00 C ATOM 0 H VAL A 47 2.613 -4.451 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 47 1.218 -1.808 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 47 3.951 -2.323 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.805 0.084 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.722 -0.153 -9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.240 0.191 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.857 -1.642 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.293 -1.533 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.101 -3.109 -7.210 1.00 0.00 H new ATOM 749 N PHE A 48 2.472 -1.457 -12.056 1.00 0.00 N ATOM 750 CA PHE A 48 3.194 -1.310 -13.352 1.00 0.00 C ATOM 751 C PHE A 48 3.716 0.122 -13.485 1.00 0.00 C ATOM 752 O PHE A 48 3.142 1.054 -12.959 1.00 0.00 O ATOM 753 CB PHE A 48 2.237 -1.613 -14.506 1.00 0.00 C ATOM 754 CG PHE A 48 1.752 -3.039 -14.396 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.566 -4.092 -14.833 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.488 -3.309 -13.858 1.00 0.00 C ATOM 757 CE1 PHE A 48 2.117 -5.413 -14.731 1.00 0.00 C ATOM 758 CE2 PHE A 48 0.038 -4.631 -13.757 1.00 0.00 C ATOM 759 CZ PHE A 48 0.853 -5.683 -14.192 1.00 0.00 C ATOM 0 H PHE A 48 1.630 -0.889 -11.960 1.00 0.00 H new ATOM 0 HA PHE A 48 4.032 -2.007 -13.382 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.391 -0.927 -14.480 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.741 -1.462 -15.460 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.541 -3.884 -15.249 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.140 -2.498 -13.521 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.745 -6.224 -15.068 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.938 -4.839 -13.344 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.507 -6.703 -14.112 1.00 0.00 H new ATOM 769 N THR A 49 4.802 0.304 -14.186 1.00 0.00 N ATOM 770 CA THR A 49 5.359 1.676 -14.354 1.00 0.00 C ATOM 771 C THR A 49 6.041 1.788 -15.718 1.00 0.00 C ATOM 772 O THR A 49 6.307 0.797 -16.371 1.00 0.00 O ATOM 773 CB THR A 49 6.383 1.949 -13.248 1.00 0.00 C ATOM 774 OG1 THR A 49 7.613 2.351 -13.834 1.00 0.00 O ATOM 775 CG2 THR A 49 6.598 0.678 -12.425 1.00 0.00 C ATOM 0 H THR A 49 5.327 -0.438 -14.649 1.00 0.00 H new ATOM 0 HA THR A 49 4.551 2.405 -14.292 1.00 0.00 H new ATOM 0 HB THR A 49 6.014 2.742 -12.597 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.269 2.528 -13.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.327 0.873 -11.638 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.653 0.371 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.967 -0.117 -13.073 1.00 0.00 H new ATOM 783 N PRO A 50 6.318 2.990 -16.143 1.00 0.00 N ATOM 784 CA PRO A 50 6.981 3.252 -17.452 1.00 0.00 C ATOM 785 C PRO A 50 8.457 2.843 -17.447 1.00 0.00 C ATOM 786 O PRO A 50 9.120 2.890 -16.430 1.00 0.00 O ATOM 787 CB PRO A 50 6.847 4.765 -17.635 1.00 0.00 C ATOM 788 CG PRO A 50 6.694 5.322 -16.258 1.00 0.00 C ATOM 789 CD PRO A 50 6.029 4.234 -15.414 1.00 0.00 C ATOM 0 HA PRO A 50 6.525 2.675 -18.257 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.725 5.180 -18.131 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.985 5.010 -18.255 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.663 5.596 -15.842 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.086 6.226 -16.272 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.437 4.208 -14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.956 4.402 -15.321 1.00 0.00 H new ATOM 911 N LEU A 60 5.158 -1.727 -20.813 1.00 0.00 N ATOM 912 CA LEU A 60 5.218 -1.449 -19.351 1.00 0.00 C ATOM 913 C LEU A 60 6.109 -2.490 -18.671 1.00 0.00 C ATOM 914 O LEU A 60 6.684 -3.345 -19.315 1.00 0.00 O ATOM 915 CB LEU A 60 3.809 -1.519 -18.759 1.00 0.00 C ATOM 916 CG LEU A 60 3.083 -0.196 -19.009 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.615 -0.333 -18.601 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.741 0.910 -18.180 1.00 0.00 C ATOM 0 HA LEU A 60 5.631 -0.454 -19.187 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.254 -2.341 -19.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.862 -1.720 -17.689 1.00 0.00 H new ATOM 0 HG LEU A 60 3.143 0.057 -20.068 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.098 0.610 -18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.146 -1.121 -19.190 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.554 -0.586 -17.542 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.225 1.854 -18.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.680 0.656 -17.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.787 1.009 -18.470 1.00 0.00 H new ATOM 930 N GLY A 61 6.230 -2.425 -17.373 1.00 0.00 N ATOM 931 CA GLY A 61 7.085 -3.412 -16.655 1.00 0.00 C ATOM 932 C GLY A 61 6.792 -3.346 -15.155 1.00 0.00 C ATOM 933 O GLY A 61 6.550 -2.290 -14.605 1.00 0.00 O ATOM 0 H GLY A 61 5.774 -1.732 -16.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.892 -4.417 -17.030 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.138 -3.200 -16.840 1.00 0.00 H new ATOM 937 N ALA A 62 6.811 -4.467 -14.487 1.00 0.00 N ATOM 938 CA ALA A 62 6.534 -4.468 -13.024 1.00 0.00 C ATOM 939 C ALA A 62 7.671 -3.756 -12.289 1.00 0.00 C ATOM 940 O ALA A 62 8.801 -3.746 -12.734 1.00 0.00 O ATOM 941 CB ALA A 62 6.429 -5.911 -12.525 1.00 0.00 C ATOM 0 H ALA A 62 7.007 -5.382 -14.892 1.00 0.00 H new ATOM 0 HA ALA A 62 5.595 -3.948 -12.832 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.226 -5.912 -11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.619 -6.419 -13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.367 -6.432 -12.717 1.00 0.00 H new ATOM 947 N ALA A 63 7.381 -3.159 -11.165 1.00 0.00 N ATOM 948 CA ALA A 63 8.446 -2.448 -10.403 1.00 0.00 C ATOM 949 C ALA A 63 9.027 -3.386 -9.343 1.00 0.00 C ATOM 950 O ALA A 63 8.730 -4.564 -9.313 1.00 0.00 O ATOM 951 CB ALA A 63 7.849 -1.215 -9.722 1.00 0.00 C ATOM 0 H ALA A 63 6.453 -3.133 -10.742 1.00 0.00 H new ATOM 0 HA ALA A 63 9.237 -2.138 -11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.628 -0.695 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.435 -0.547 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.058 -1.524 -9.038 1.00 0.00 H new ATOM 957 N SER A 64 9.854 -2.874 -8.473 1.00 0.00 N ATOM 958 CA SER A 64 10.452 -3.738 -7.417 1.00 0.00 C ATOM 959 C SER A 64 10.031 -3.225 -6.039 1.00 0.00 C ATOM 960 O SER A 64 9.554 -2.115 -5.898 1.00 0.00 O ATOM 961 CB SER A 64 11.977 -3.700 -7.531 1.00 0.00 C ATOM 962 OG SER A 64 12.374 -4.333 -8.740 1.00 0.00 O ATOM 0 H SER A 64 10.141 -1.896 -8.448 1.00 0.00 H new ATOM 0 HA SER A 64 10.103 -4.763 -7.545 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.329 -2.668 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.430 -4.205 -6.677 1.00 0.00 H new ATOM 0 HG SER A 64 13.351 -4.309 -8.817 1.00 0.00 H new ATOM 968 N LYS A 65 10.203 -4.022 -5.020 1.00 0.00 N ATOM 969 CA LYS A 65 9.812 -3.579 -3.652 1.00 0.00 C ATOM 970 C LYS A 65 10.679 -2.388 -3.235 1.00 0.00 C ATOM 971 O LYS A 65 10.239 -1.510 -2.518 1.00 0.00 O ATOM 972 CB LYS A 65 10.018 -4.730 -2.665 1.00 0.00 C ATOM 973 CG LYS A 65 9.081 -5.887 -3.022 1.00 0.00 C ATOM 974 CD LYS A 65 9.904 -7.150 -3.284 1.00 0.00 C ATOM 975 CE LYS A 65 8.980 -8.270 -3.768 1.00 0.00 C ATOM 976 NZ LYS A 65 9.623 -9.590 -3.510 1.00 0.00 N ATOM 0 H LYS A 65 10.597 -4.961 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 65 8.763 -3.283 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.055 -5.066 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.821 -4.390 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.376 -6.062 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.493 -5.634 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.671 -6.948 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.419 -7.457 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.021 -8.213 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.777 -8.154 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.996 -10.352 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.527 -9.641 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.795 -9.699 -2.490 1.00 0.00 H new ATOM 990 N ALA A 66 11.905 -2.351 -3.677 1.00 0.00 N ATOM 991 CA ALA A 66 12.798 -1.217 -3.305 1.00 0.00 C ATOM 992 C ALA A 66 12.113 0.106 -3.654 1.00 0.00 C ATOM 993 O ALA A 66 12.121 1.042 -2.880 1.00 0.00 O ATOM 994 CB ALA A 66 14.115 -1.331 -4.076 1.00 0.00 C ATOM 0 H ALA A 66 12.328 -3.057 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 66 13.001 -1.249 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.769 -0.502 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.602 -2.274 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.914 -1.299 -5.147 1.00 0.00 H new ATOM 1000 N GLN A 67 11.520 0.190 -4.813 1.00 0.00 N ATOM 1001 CA GLN A 67 10.835 1.453 -5.210 1.00 0.00 C ATOM 1002 C GLN A 67 9.550 1.614 -4.397 1.00 0.00 C ATOM 1003 O GLN A 67 9.380 2.572 -3.669 1.00 0.00 O ATOM 1004 CB GLN A 67 10.494 1.402 -6.700 1.00 0.00 C ATOM 1005 CG GLN A 67 11.680 1.924 -7.515 1.00 0.00 C ATOM 1006 CD GLN A 67 11.679 1.266 -8.896 1.00 0.00 C ATOM 1007 OE1 GLN A 67 10.917 0.354 -9.148 1.00 0.00 O ATOM 1008 NE2 GLN A 67 12.508 1.695 -9.809 1.00 0.00 N ATOM 0 H GLN A 67 11.480 -0.561 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 67 11.494 2.299 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.259 0.379 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.608 2.004 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.616 3.007 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.614 1.707 -6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.148 2.461 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.516 1.264 -10.734 1.00 0.00 H new ATOM 1017 N VAL A 68 8.642 0.683 -4.513 1.00 0.00 N ATOM 1018 CA VAL A 68 7.369 0.784 -3.746 1.00 0.00 C ATOM 1019 C VAL A 68 7.677 1.155 -2.295 1.00 0.00 C ATOM 1020 O VAL A 68 6.862 1.738 -1.607 1.00 0.00 O ATOM 1021 CB VAL A 68 6.641 -0.561 -3.787 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.284 -0.428 -3.094 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.430 -0.983 -5.244 1.00 0.00 C ATOM 0 H VAL A 68 8.727 -0.143 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 68 6.736 1.552 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 68 7.239 -1.313 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.765 -1.386 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.433 -0.127 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.685 0.324 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.911 -1.941 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.832 -0.230 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.397 -1.078 -5.739 1.00 0.00 H new ATOM 1033 N GLU A 69 8.846 0.821 -1.823 1.00 0.00 N ATOM 1034 CA GLU A 69 9.204 1.156 -0.416 1.00 0.00 C ATOM 1035 C GLU A 69 9.407 2.667 -0.286 1.00 0.00 C ATOM 1036 O GLU A 69 9.022 3.272 0.694 1.00 0.00 O ATOM 1037 CB GLU A 69 10.498 0.433 -0.032 1.00 0.00 C ATOM 1038 CG GLU A 69 10.174 -0.996 0.405 1.00 0.00 C ATOM 1039 CD GLU A 69 11.341 -1.918 0.047 1.00 0.00 C ATOM 1040 OE1 GLU A 69 12.464 -1.439 0.028 1.00 0.00 O ATOM 1041 OE2 GLU A 69 11.094 -3.086 -0.203 1.00 0.00 O ATOM 0 H GLU A 69 9.569 0.331 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 69 8.400 0.839 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.184 0.419 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.999 0.967 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.990 -1.026 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.263 -1.339 -0.085 1.00 0.00 H new ATOM 1048 N ASN A 70 10.008 3.280 -1.268 1.00 0.00 N ATOM 1049 CA ASN A 70 10.234 4.751 -1.201 1.00 0.00 C ATOM 1050 C ASN A 70 8.888 5.469 -1.088 1.00 0.00 C ATOM 1051 O ASN A 70 8.810 6.596 -0.640 1.00 0.00 O ATOM 1052 CB ASN A 70 10.954 5.216 -2.469 1.00 0.00 C ATOM 1053 CG ASN A 70 12.345 4.580 -2.529 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.116 4.687 -1.597 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.699 3.916 -3.595 1.00 0.00 N ATOM 0 H ASN A 70 10.352 2.826 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 70 10.846 4.984 -0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.377 4.937 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.039 6.303 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.623 3.487 -3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.052 3.826 -4.378 1.00 0.00 H new ATOM 1062 N GLU A 71 7.826 4.825 -1.490 1.00 0.00 N ATOM 1063 CA GLU A 71 6.486 5.471 -1.405 1.00 0.00 C ATOM 1064 C GLU A 71 5.781 5.018 -0.124 1.00 0.00 C ATOM 1065 O GLU A 71 5.555 5.797 0.780 1.00 0.00 O ATOM 1066 CB GLU A 71 5.647 5.066 -2.619 1.00 0.00 C ATOM 1067 CG GLU A 71 6.075 5.893 -3.834 1.00 0.00 C ATOM 1068 CD GLU A 71 7.430 5.397 -4.338 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.539 4.214 -4.620 1.00 0.00 O ATOM 1070 OE2 GLU A 71 8.337 6.207 -4.436 1.00 0.00 O ATOM 0 H GLU A 71 7.829 3.880 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 71 6.605 6.554 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.776 4.003 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.589 5.225 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.329 5.810 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.139 6.947 -3.565 1.00 0.00 H new ATOM 1077 N PHE A 72 5.432 3.763 -0.040 1.00 0.00 N ATOM 1078 CA PHE A 72 4.743 3.262 1.181 1.00 0.00 C ATOM 1079 C PHE A 72 4.855 1.737 1.240 1.00 0.00 C ATOM 1080 O PHE A 72 3.915 1.024 0.951 1.00 0.00 O ATOM 1081 CB PHE A 72 3.267 3.663 1.134 1.00 0.00 C ATOM 1082 CG PHE A 72 2.866 3.940 -0.295 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.365 3.140 -1.330 1.00 0.00 C ATOM 1084 CD2 PHE A 72 1.995 4.997 -0.586 1.00 0.00 C ATOM 1085 CE1 PHE A 72 2.994 3.397 -2.655 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.624 5.254 -1.911 1.00 0.00 C ATOM 1087 CZ PHE A 72 2.123 4.454 -2.946 1.00 0.00 C ATOM 0 H PHE A 72 5.595 3.064 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 72 5.210 3.695 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.649 2.866 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.100 4.548 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.036 2.324 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.609 5.614 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.380 2.780 -3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.953 6.070 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.836 4.652 -3.968 1.00 0.00 H new ATOM 1097 N GLY A 73 5.999 1.232 1.614 1.00 0.00 N ATOM 1098 CA GLY A 73 6.171 -0.247 1.691 1.00 0.00 C ATOM 1099 C GLY A 73 6.716 -0.626 3.068 1.00 0.00 C ATOM 1100 O GLY A 73 6.190 -0.227 4.088 1.00 0.00 O ATOM 0 H GLY A 73 6.821 1.779 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.217 -0.744 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.854 -0.585 0.912 1.00 0.00 H new ATOM 1104 N LYS A 74 7.769 -1.397 3.107 1.00 0.00 N ATOM 1105 CA LYS A 74 8.348 -1.802 4.418 1.00 0.00 C ATOM 1106 C LYS A 74 7.374 -2.737 5.139 1.00 0.00 C ATOM 1107 O LYS A 74 7.581 -3.933 5.203 1.00 0.00 O ATOM 1108 CB LYS A 74 8.589 -0.558 5.276 1.00 0.00 C ATOM 1109 CG LYS A 74 8.976 0.618 4.376 1.00 0.00 C ATOM 1110 CD LYS A 74 9.887 1.574 5.149 1.00 0.00 C ATOM 1111 CE LYS A 74 10.501 2.588 4.181 1.00 0.00 C ATOM 1112 NZ LYS A 74 10.718 3.881 4.889 1.00 0.00 N ATOM 0 H LYS A 74 8.253 -1.763 2.287 1.00 0.00 H new ATOM 0 HA LYS A 74 9.294 -2.319 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.690 -0.315 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.380 -0.751 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.486 0.255 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.081 1.143 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.318 2.091 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.674 1.014 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.447 2.210 3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.842 2.736 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.135 4.571 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.808 4.243 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.363 3.733 5.691 1.00 0.00 H new ATOM 1126 N GLY A 75 6.315 -2.203 5.681 1.00 0.00 N ATOM 1127 CA GLY A 75 5.329 -3.062 6.396 1.00 0.00 C ATOM 1128 C GLY A 75 3.944 -2.877 5.776 1.00 0.00 C ATOM 1129 O GLY A 75 2.934 -2.989 6.442 1.00 0.00 O ATOM 0 H GLY A 75 6.089 -1.209 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.630 -4.108 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.303 -2.800 7.454 1.00 0.00 H new ATOM 1133 N LYS A 76 3.886 -2.593 4.503 1.00 0.00 N ATOM 1134 CA LYS A 76 2.565 -2.401 3.842 1.00 0.00 C ATOM 1135 C LYS A 76 2.383 -3.455 2.747 1.00 0.00 C ATOM 1136 O LYS A 76 2.909 -3.330 1.660 1.00 0.00 O ATOM 1137 CB LYS A 76 2.503 -1.003 3.219 1.00 0.00 C ATOM 1138 CG LYS A 76 3.141 0.010 4.173 1.00 0.00 C ATOM 1139 CD LYS A 76 2.189 1.191 4.375 1.00 0.00 C ATOM 1140 CE LYS A 76 2.827 2.204 5.327 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.830 3.256 5.674 1.00 0.00 N ATOM 0 H LYS A 76 4.696 -2.486 3.893 1.00 0.00 H new ATOM 0 HA LYS A 76 1.771 -2.505 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.025 -0.996 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.467 -0.728 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.359 -0.463 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.090 0.360 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.971 1.664 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.240 0.841 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.172 1.702 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.702 2.657 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.263 3.945 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.522 3.741 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.008 2.817 6.136 1.00 0.00 H new ATOM 1155 N LYS A 77 1.642 -4.491 3.028 1.00 0.00 N ATOM 1156 CA LYS A 77 1.427 -5.551 2.002 1.00 0.00 C ATOM 1157 C LYS A 77 0.981 -4.908 0.688 1.00 0.00 C ATOM 1158 O LYS A 77 0.560 -3.768 0.657 1.00 0.00 O ATOM 1159 CB LYS A 77 0.348 -6.521 2.488 1.00 0.00 C ATOM 1160 CG LYS A 77 0.889 -7.341 3.661 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.014 -8.555 3.894 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.013 -8.913 5.381 1.00 0.00 C ATOM 1163 NZ LYS A 77 1.317 -9.470 5.757 1.00 0.00 N ATOM 0 H LYS A 77 1.177 -4.650 3.922 1.00 0.00 H new ATOM 0 HA LYS A 77 2.358 -6.094 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.540 -5.969 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.047 -7.183 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.908 -7.667 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.929 -6.726 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.029 -8.336 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.338 -9.402 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.231 -8.028 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.797 -9.641 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.287 -9.807 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.552 -10.263 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.042 -8.729 5.667 1.00 0.00 H new ATOM 1177 N ILE A 78 1.068 -5.628 -0.396 1.00 0.00 N ATOM 1178 CA ILE A 78 0.647 -5.055 -1.706 1.00 0.00 C ATOM 1179 C ILE A 78 -0.791 -4.543 -1.600 1.00 0.00 C ATOM 1180 O ILE A 78 -1.181 -3.614 -2.279 1.00 0.00 O ATOM 1181 CB ILE A 78 0.724 -6.137 -2.784 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.355 -5.532 -4.141 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.251 -7.266 -2.448 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.485 -4.616 -4.616 1.00 0.00 C ATOM 0 H ILE A 78 1.412 -6.588 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 78 1.308 -4.230 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 78 1.738 -6.535 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.184 -6.324 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.574 -4.968 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.195 -8.036 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.011 -7.698 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.266 -6.870 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.222 -4.185 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.634 -3.816 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.404 -5.193 -4.714 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.584 -5.143 -0.754 1.00 0.00 N ATOM 1197 CA GLU A 79 -2.995 -4.689 -0.607 1.00 0.00 C ATOM 1198 C GLU A 79 -3.018 -3.206 -0.230 1.00 0.00 C ATOM 1199 O GLU A 79 -3.555 -2.383 -0.943 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.680 -5.505 0.491 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.200 -6.956 0.425 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.189 -7.856 1.167 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -5.103 -7.324 1.776 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -4.018 -9.063 1.113 1.00 0.00 O ATOM 0 H GLU A 79 -1.315 -5.927 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.523 -4.832 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.454 -5.080 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.762 -5.463 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.112 -7.274 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.209 -7.043 0.870 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.438 -2.860 0.888 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.427 -1.431 1.308 1.00 0.00 C ATOM 1213 C GLU A 80 -1.825 -0.575 0.193 1.00 0.00 C ATOM 1214 O GLU A 80 -2.430 0.370 -0.274 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.586 -1.280 2.577 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.252 -2.041 3.726 1.00 0.00 C ATOM 1217 CD GLU A 80 -1.208 -2.372 4.793 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -0.330 -3.171 4.508 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -1.302 -1.821 5.878 1.00 0.00 O ATOM 0 H GLU A 80 -1.972 -3.505 1.527 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.447 -1.103 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.580 -1.664 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.485 -0.226 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.052 -1.440 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.709 -2.958 3.353 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.636 -0.897 -0.240 1.00 0.00 N ATOM 1227 CA VAL A 81 0.003 -0.100 -1.325 1.00 0.00 C ATOM 1228 C VAL A 81 -1.058 0.306 -2.351 1.00 0.00 C ATOM 1229 O VAL A 81 -1.172 1.459 -2.716 1.00 0.00 O ATOM 1230 CB VAL A 81 1.079 -0.944 -2.010 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.385 -0.360 -3.390 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.351 -0.935 -1.159 1.00 0.00 C ATOM 0 H VAL A 81 -0.080 -1.677 0.111 1.00 0.00 H new ATOM 0 HA VAL A 81 0.459 0.794 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 81 0.722 -1.968 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.152 -0.962 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.479 -0.365 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.742 0.664 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.119 -1.536 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.708 0.089 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.134 -1.351 -0.175 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.834 -0.632 -2.819 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.886 -0.299 -3.820 1.00 0.00 C ATOM 1244 C ILE A 82 -3.885 0.681 -3.203 1.00 0.00 C ATOM 1245 O ILE A 82 -4.373 1.581 -3.857 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.614 -1.576 -4.239 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.676 -2.446 -5.080 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.849 -1.212 -5.067 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -3.116 -3.908 -4.988 1.00 0.00 C ATOM 0 H ILE A 82 -1.785 -1.615 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.424 0.158 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.921 -2.126 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.690 -2.116 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.650 -2.341 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.368 -2.123 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.518 -0.592 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.542 -0.661 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.448 -4.527 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.079 -4.234 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.135 -4.006 -5.363 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.195 0.513 -1.946 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.163 1.435 -1.287 1.00 0.00 C ATOM 1263 C ASP A 83 -4.561 2.839 -1.215 1.00 0.00 C ATOM 1264 O ASP A 83 -5.050 3.767 -1.827 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.463 0.934 0.127 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.870 1.374 0.537 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.710 1.495 -0.339 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.083 1.583 1.720 1.00 0.00 O ATOM 0 H ASP A 83 -3.820 -0.223 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.087 1.466 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.385 -0.153 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.728 1.330 0.828 1.00 0.00 H new ATOM 1273 N LEU A 84 -3.501 3.002 -0.471 1.00 0.00 N ATOM 1274 CA LEU A 84 -2.869 4.348 -0.361 1.00 0.00 C ATOM 1275 C LEU A 84 -2.919 5.047 -1.720 1.00 0.00 C ATOM 1276 O LEU A 84 -3.002 6.256 -1.805 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.411 4.192 0.080 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.362 3.550 1.467 1.00 0.00 C ATOM 1279 CD1 LEU A 84 0.083 3.187 1.811 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -1.899 4.539 2.504 1.00 0.00 C ATOM 0 H LEU A 84 -3.046 2.263 0.065 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.409 4.945 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.867 3.576 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.920 5.165 0.101 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.974 2.648 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.118 2.729 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.467 2.484 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.696 4.089 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.865 4.083 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.286 5.440 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.929 4.799 2.260 1.00 0.00 H new ATOM 1292 N ILE A 85 -2.871 4.295 -2.786 1.00 0.00 N ATOM 1293 CA ILE A 85 -2.916 4.918 -4.139 1.00 0.00 C ATOM 1294 C ILE A 85 -4.339 5.400 -4.430 1.00 0.00 C ATOM 1295 O ILE A 85 -4.600 6.584 -4.503 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.503 3.886 -5.189 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.998 3.624 -5.080 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.826 4.420 -6.586 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.673 2.257 -5.683 1.00 0.00 C ATOM 0 H ILE A 85 -2.803 3.277 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.231 5.765 -4.173 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.049 2.958 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.444 4.404 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.687 3.656 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.531 3.684 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.897 4.609 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.280 5.348 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.398 2.070 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.216 1.482 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.969 2.242 -6.732 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.261 4.492 -4.596 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.666 4.899 -4.883 1.00 0.00 C ATOM 1313 C LEU A 86 -7.080 6.012 -3.918 1.00 0.00 C ATOM 1314 O LEU A 86 -8.094 6.657 -4.096 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.593 3.696 -4.703 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.326 2.675 -5.810 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.726 1.280 -5.325 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.150 3.039 -7.047 1.00 0.00 C ATOM 0 H LEU A 86 -5.102 3.486 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.738 5.261 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.429 3.240 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.634 4.018 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.266 2.682 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.536 0.552 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.141 1.020 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.786 1.273 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.961 2.312 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.210 3.031 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.867 4.033 -7.393 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.303 6.243 -2.895 1.00 0.00 N ATOM 1331 CA ARG A 87 -6.653 7.313 -1.920 1.00 0.00 C ATOM 1332 C ARG A 87 -6.345 8.681 -2.532 1.00 0.00 C ATOM 1333 O ARG A 87 -7.120 9.610 -2.423 1.00 0.00 O ATOM 1334 CB ARG A 87 -5.830 7.129 -0.643 1.00 0.00 C ATOM 1335 CG ARG A 87 -6.732 6.607 0.476 1.00 0.00 C ATOM 1336 CD ARG A 87 -5.948 6.575 1.790 1.00 0.00 C ATOM 1337 NE ARG A 87 -6.116 5.244 2.447 1.00 0.00 N ATOM 1338 CZ ARG A 87 -7.288 4.665 2.496 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -8.345 5.278 2.038 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -7.405 3.479 3.026 1.00 0.00 N ATOM 0 H ARG A 87 -5.441 5.737 -2.693 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.715 7.253 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.013 6.430 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.379 8.077 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.609 7.246 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.093 5.608 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.892 6.766 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.300 7.365 2.453 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.307 4.781 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.260 6.213 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.257 4.822 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.584 3.005 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.318 3.026 3.065 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.217 8.813 -3.176 1.00 0.00 N ATOM 1355 CA ASN A 88 -4.860 10.121 -3.794 1.00 0.00 C ATOM 1356 C ASN A 88 -3.991 9.880 -5.031 1.00 0.00 C ATOM 1357 O ASN A 88 -2.829 10.230 -5.061 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.086 10.969 -2.783 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.355 12.096 -3.515 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -2.453 12.704 -2.973 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.708 12.403 -4.733 1.00 0.00 N ATOM 0 H ASN A 88 -4.528 8.072 -3.301 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.770 10.646 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.769 11.385 -2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.371 10.348 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.227 13.153 -5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.465 11.893 -5.188 1.00 0.00 H new ATOM 1368 N GLY A 89 -4.545 9.282 -6.049 1.00 0.00 N ATOM 1369 CA GLY A 89 -3.750 9.018 -7.282 1.00 0.00 C ATOM 1370 C GLY A 89 -3.442 10.341 -7.986 1.00 0.00 C ATOM 1371 O GLY A 89 -2.717 11.173 -7.477 1.00 0.00 O ATOM 0 H GLY A 89 -5.514 8.965 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.822 8.506 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.304 8.359 -7.950 1.00 0.00 H new ATOM 1375 N LYS A 90 -3.987 10.543 -9.155 1.00 0.00 N ATOM 1376 CA LYS A 90 -3.725 11.811 -9.891 1.00 0.00 C ATOM 1377 C LYS A 90 -4.376 12.979 -9.146 1.00 0.00 C ATOM 1378 O LYS A 90 -5.333 12.804 -8.418 1.00 0.00 O ATOM 1379 CB LYS A 90 -4.313 11.714 -11.300 1.00 0.00 C ATOM 1380 CG LYS A 90 -5.370 10.609 -11.338 1.00 0.00 C ATOM 1381 CD LYS A 90 -6.349 10.878 -12.482 1.00 0.00 C ATOM 1382 CE LYS A 90 -5.683 10.537 -13.816 1.00 0.00 C ATOM 1383 NZ LYS A 90 -6.620 10.846 -14.933 1.00 0.00 N ATOM 0 H LYS A 90 -4.602 9.884 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.650 11.977 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.758 12.667 -11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.524 11.501 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.892 9.639 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.905 10.570 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.251 10.280 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.656 11.924 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.762 11.108 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.409 9.482 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.167 10.614 -15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.487 10.282 -14.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.860 11.858 -14.915 1.00 0.00 H new