USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot -89:sc= 1.58 USER MOD Set 1.2: A 54 GLN : amide:sc= -1.63! C(o=-0.042!,f=-7.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 112:sc= 0.379 USER MOD Set 2.2: A 18 LYS NZ :NH3+ -171:sc= 0.407 (180deg=0) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -141:sc= 1.24 (180deg=0.326) USER MOD Set 3.2: A 10 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 22 SER OG : rot 75:sc= 0.208 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.66) USER MOD Single : A 27 SER OG : rot 41:sc= 0.031 USER MOD Single : A 29 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -146:sc= -0.249 (180deg=-2.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 45:sc= 0.747 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.0044) USER MOD Single : A 61 HIS : no HE2:sc= -0.574 X(o=-0.57,f=-0.3) USER MOD Single : A 65 TYR OH : rot -89:sc= 1.87 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.911 8.742 -6.666 1.00 0.00 N ATOM 14 CA ASN A 2 -3.467 8.771 -6.498 1.00 0.00 C ATOM 15 C ASN A 2 -3.117 7.718 -5.466 1.00 0.00 C ATOM 16 O ASN A 2 -3.181 7.998 -4.269 1.00 0.00 O ATOM 17 CB ASN A 2 -2.939 10.168 -6.113 1.00 0.00 C ATOM 18 CG ASN A 2 -3.805 11.323 -6.577 1.00 0.00 C ATOM 19 OD1 ASN A 2 -4.636 11.826 -5.829 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.665 11.742 -7.821 1.00 0.00 N ATOM 0 HA ASN A 2 -2.978 8.549 -7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.841 10.218 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.939 10.291 -6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.254 12.496 -8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.968 11.311 -8.429 1.00 0.00 H new ATOM 27 N VAL A 3 -2.788 6.507 -5.915 1.00 0.00 N ATOM 28 CA VAL A 3 -2.601 5.376 -5.022 1.00 0.00 C ATOM 29 C VAL A 3 -1.369 4.605 -5.420 1.00 0.00 C ATOM 30 O VAL A 3 -1.203 4.246 -6.582 1.00 0.00 O ATOM 31 CB VAL A 3 -3.857 4.489 -4.951 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.656 3.243 -4.070 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.987 5.324 -4.341 1.00 0.00 C ATOM 0 H VAL A 3 -2.646 6.289 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.447 5.752 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.085 4.148 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.574 2.655 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.844 2.639 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.408 3.552 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.892 4.720 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.699 5.652 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.175 6.195 -4.968 1.00 0.00 H new ATOM 43 N GLU A 4 -0.545 4.310 -4.423 1.00 0.00 N ATOM 44 CA GLU A 4 0.677 3.547 -4.542 1.00 0.00 C ATOM 45 C GLU A 4 0.674 2.521 -3.428 1.00 0.00 C ATOM 46 O GLU A 4 0.265 2.848 -2.313 1.00 0.00 O ATOM 47 CB GLU A 4 1.870 4.490 -4.347 1.00 0.00 C ATOM 48 CG GLU A 4 2.057 5.534 -5.450 1.00 0.00 C ATOM 49 CD GLU A 4 3.074 6.592 -5.023 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.859 7.276 -3.996 1.00 0.00 O ATOM 51 OE2 GLU A 4 4.113 6.789 -5.695 1.00 0.00 O ATOM 0 H GLU A 4 -0.725 4.614 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 4 0.748 3.066 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.753 5.007 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.779 3.892 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.393 5.047 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.102 6.009 -5.674 1.00 0.00 H new ATOM 58 N ILE A 5 1.154 1.308 -3.694 1.00 0.00 N ATOM 59 CA ILE A 5 1.244 0.267 -2.681 1.00 0.00 C ATOM 60 C ILE A 5 2.590 -0.452 -2.805 1.00 0.00 C ATOM 61 O ILE A 5 2.958 -0.893 -3.894 1.00 0.00 O ATOM 62 CB ILE A 5 -0.025 -0.615 -2.737 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.180 -1.410 -1.422 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.083 -1.525 -3.963 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.400 -2.327 -1.321 1.00 0.00 C ATOM 0 H ILE A 5 1.489 1.023 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 5 1.248 0.671 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.876 0.058 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.715 -2.016 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.217 -0.700 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.000 -2.114 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.069 -0.918 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.778 -2.193 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.398 -2.830 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.310 -1.735 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.363 -3.071 -2.117 1.00 0.00 H new ATOM 77 N TYR A 6 3.353 -0.513 -1.710 1.00 0.00 N ATOM 78 CA TYR A 6 4.727 -1.003 -1.684 1.00 0.00 C ATOM 79 C TYR A 6 4.732 -2.408 -1.102 1.00 0.00 C ATOM 80 O TYR A 6 4.181 -2.632 -0.017 1.00 0.00 O ATOM 81 CB TYR A 6 5.637 -0.080 -0.862 1.00 0.00 C ATOM 82 CG TYR A 6 5.847 1.318 -1.423 1.00 0.00 C ATOM 83 CD1 TYR A 6 4.836 2.294 -1.321 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.071 1.657 -2.032 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.040 3.587 -1.833 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.295 2.959 -2.509 1.00 0.00 C ATOM 87 CZ TYR A 6 6.276 3.932 -2.418 1.00 0.00 C ATOM 88 OH TYR A 6 6.481 5.185 -2.911 1.00 0.00 O ATOM 0 H TYR A 6 3.019 -0.214 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 6 5.117 -1.018 -2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.219 0.011 0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.611 -0.559 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.898 2.047 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.844 0.909 -2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.248 4.319 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.248 3.216 -2.946 1.00 0.00 H new ATOM 0 HH TYR A 6 7.388 5.248 -3.276 1.00 0.00 H new ATOM 98 N THR A 7 5.345 -3.346 -1.822 1.00 0.00 N ATOM 99 CA THR A 7 5.350 -4.765 -1.505 1.00 0.00 C ATOM 100 C THR A 7 6.729 -5.358 -1.808 1.00 0.00 C ATOM 101 O THR A 7 7.620 -4.666 -2.300 1.00 0.00 O ATOM 102 CB THR A 7 4.220 -5.470 -2.282 1.00 0.00 C ATOM 103 OG1 THR A 7 4.495 -5.534 -3.662 1.00 0.00 O ATOM 104 CG2 THR A 7 2.867 -4.759 -2.161 1.00 0.00 C ATOM 0 H THR A 7 5.868 -3.127 -2.670 1.00 0.00 H new ATOM 0 HA THR A 7 5.160 -4.917 -0.442 1.00 0.00 H new ATOM 0 HB THR A 7 4.168 -6.462 -1.832 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.652 -6.466 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.116 -5.306 -2.731 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.569 -4.719 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.952 -3.746 -2.553 1.00 0.00 H new ATOM 112 N LYS A 8 6.936 -6.646 -1.532 1.00 0.00 N ATOM 113 CA LYS A 8 8.168 -7.348 -1.906 1.00 0.00 C ATOM 114 C LYS A 8 7.812 -8.779 -2.307 1.00 0.00 C ATOM 115 O LYS A 8 6.632 -9.107 -2.454 1.00 0.00 O ATOM 116 CB LYS A 8 9.287 -7.248 -0.824 1.00 0.00 C ATOM 117 CG LYS A 8 8.919 -6.807 0.609 1.00 0.00 C ATOM 118 CD LYS A 8 10.100 -6.232 1.420 1.00 0.00 C ATOM 119 CE LYS A 8 11.435 -6.993 1.301 1.00 0.00 C ATOM 120 NZ LYS A 8 11.404 -8.331 1.932 1.00 0.00 N ATOM 0 H LYS A 8 6.258 -7.232 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 8 8.615 -6.853 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.762 -8.227 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.041 -6.554 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.131 -6.056 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.507 -7.662 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.263 -5.201 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.813 -6.203 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.691 -7.102 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.226 -6.400 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.310 -8.511 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.633 -8.369 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.247 -9.055 1.202 1.00 0.00 H new ATOM 134 N GLU A 9 8.837 -9.591 -2.546 1.00 0.00 N ATOM 135 CA GLU A 9 8.761 -11.033 -2.721 1.00 0.00 C ATOM 136 C GLU A 9 7.960 -11.642 -1.565 1.00 0.00 C ATOM 137 O GLU A 9 6.922 -12.276 -1.775 1.00 0.00 O ATOM 138 CB GLU A 9 10.186 -11.624 -2.876 1.00 0.00 C ATOM 139 CG GLU A 9 11.370 -10.923 -2.162 1.00 0.00 C ATOM 140 CD GLU A 9 11.502 -11.175 -0.667 1.00 0.00 C ATOM 141 OE1 GLU A 9 12.199 -12.140 -0.276 1.00 0.00 O ATOM 142 OE2 GLU A 9 10.950 -10.371 0.121 1.00 0.00 O ATOM 0 H GLU A 9 9.791 -9.240 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 9 8.229 -11.285 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.155 -12.656 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.416 -11.655 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.295 -11.238 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.277 -9.849 -2.321 1.00 0.00 H new ATOM 149 N THR A 10 8.399 -11.396 -0.337 1.00 0.00 N ATOM 150 CA THR A 10 7.669 -11.708 0.878 1.00 0.00 C ATOM 151 C THR A 10 6.701 -10.564 1.208 1.00 0.00 C ATOM 152 O THR A 10 6.585 -9.623 0.420 1.00 0.00 O ATOM 153 CB THR A 10 8.664 -12.002 2.013 1.00 0.00 C ATOM 154 OG1 THR A 10 9.570 -10.930 2.213 1.00 0.00 O ATOM 155 CG2 THR A 10 9.447 -13.278 1.726 1.00 0.00 C ATOM 0 H THR A 10 9.303 -10.959 -0.157 1.00 0.00 H new ATOM 0 HA THR A 10 7.064 -12.605 0.743 1.00 0.00 H new ATOM 0 HB THR A 10 8.078 -12.130 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.307 -11.000 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.145 -13.468 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.756 -14.117 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.000 -13.164 0.794 1.00 0.00 H new ATOM 163 N CYS A 11 6.048 -10.642 2.376 1.00 0.00 N ATOM 164 CA CYS A 11 5.034 -9.750 2.941 1.00 0.00 C ATOM 165 C CYS A 11 3.646 -10.334 2.622 1.00 0.00 C ATOM 166 O CYS A 11 2.985 -9.901 1.675 1.00 0.00 O ATOM 167 CB CYS A 11 5.183 -8.298 2.456 1.00 0.00 C ATOM 168 SG CYS A 11 4.059 -7.094 3.180 1.00 0.00 S ATOM 0 H CYS A 11 6.240 -11.415 3.013 1.00 0.00 H new ATOM 0 HA CYS A 11 5.167 -9.697 4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.205 -7.974 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.049 -8.284 1.374 1.00 0.00 H new ATOM 173 N PRO A 12 3.159 -11.313 3.404 1.00 0.00 N ATOM 174 CA PRO A 12 1.854 -11.928 3.166 1.00 0.00 C ATOM 175 C PRO A 12 0.709 -10.923 3.315 1.00 0.00 C ATOM 176 O PRO A 12 -0.295 -11.030 2.607 1.00 0.00 O ATOM 177 CB PRO A 12 1.776 -13.089 4.160 1.00 0.00 C ATOM 178 CG PRO A 12 2.712 -12.683 5.295 1.00 0.00 C ATOM 179 CD PRO A 12 3.801 -11.897 4.575 1.00 0.00 C ATOM 0 HA PRO A 12 1.749 -12.287 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.757 -13.237 4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.091 -14.026 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.201 -12.075 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.117 -13.551 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.216 -11.123 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.626 -12.547 4.285 1.00 0.00 H new ATOM 187 N TYR A 13 0.878 -9.876 4.132 1.00 0.00 N ATOM 188 CA TYR A 13 -0.149 -8.853 4.263 1.00 0.00 C ATOM 189 C TYR A 13 -0.162 -7.986 2.996 1.00 0.00 C ATOM 190 O TYR A 13 -1.228 -7.545 2.580 1.00 0.00 O ATOM 191 CB TYR A 13 0.122 -7.991 5.505 1.00 0.00 C ATOM 192 CG TYR A 13 -0.245 -8.598 6.852 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.576 -9.577 7.443 1.00 0.00 C ATOM 194 CD2 TYR A 13 -1.357 -8.110 7.570 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.321 -10.025 8.751 1.00 0.00 C ATOM 196 CE2 TYR A 13 -1.642 -8.581 8.862 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.782 -9.518 9.472 1.00 0.00 C ATOM 198 OH TYR A 13 -1.025 -9.919 10.749 1.00 0.00 O ATOM 0 H TYR A 13 1.709 -9.722 4.703 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.124 -9.325 4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.183 -7.742 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.423 -7.054 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.407 -9.987 6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.997 -7.365 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.970 -10.759 9.205 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.517 -8.227 9.387 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.825 -9.465 11.088 1.00 0.00 H new ATOM 208 N CYS A 14 0.977 -7.787 2.322 1.00 0.00 N ATOM 209 CA CYS A 14 1.047 -6.990 1.101 1.00 0.00 C ATOM 210 C CYS A 14 0.181 -7.612 0.016 1.00 0.00 C ATOM 211 O CYS A 14 -0.623 -6.924 -0.615 1.00 0.00 O ATOM 212 CB CYS A 14 2.481 -6.907 0.589 1.00 0.00 C ATOM 213 SG CYS A 14 3.642 -5.934 1.569 1.00 0.00 S ATOM 0 H CYS A 14 1.874 -8.176 2.612 1.00 0.00 H new ATOM 0 HA CYS A 14 0.688 -5.988 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.872 -7.921 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.458 -6.493 -0.419 1.00 0.00 H new ATOM 218 N HIS A 15 0.333 -8.925 -0.175 1.00 0.00 N ATOM 219 CA HIS A 15 -0.555 -9.691 -1.029 1.00 0.00 C ATOM 220 C HIS A 15 -2.008 -9.463 -0.604 1.00 0.00 C ATOM 221 O HIS A 15 -2.825 -9.121 -1.455 1.00 0.00 O ATOM 222 CB HIS A 15 -0.156 -11.172 -1.001 1.00 0.00 C ATOM 223 CG HIS A 15 -1.291 -12.073 -1.407 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.043 -11.974 -2.567 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.886 -12.979 -0.575 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.080 -12.820 -2.435 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.999 -13.449 -1.244 1.00 0.00 N ATOM 0 H HIS A 15 1.073 -9.477 0.259 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.465 -9.354 -2.062 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.690 -11.332 -1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.176 -11.438 0.002 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.552 -13.270 0.410 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.858 -12.972 -3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.650 -14.153 -0.896 1.00 0.00 H new ATOM 236 N ARG A 16 -2.346 -9.633 0.682 1.00 0.00 N ATOM 237 CA ARG A 16 -3.733 -9.514 1.133 1.00 0.00 C ATOM 238 C ARG A 16 -4.370 -8.185 0.738 1.00 0.00 C ATOM 239 O ARG A 16 -5.510 -8.186 0.267 1.00 0.00 O ATOM 240 CB ARG A 16 -3.863 -9.755 2.644 1.00 0.00 C ATOM 241 CG ARG A 16 -3.739 -11.257 2.969 1.00 0.00 C ATOM 242 CD ARG A 16 -4.413 -11.639 4.289 1.00 0.00 C ATOM 243 NE ARG A 16 -3.494 -11.641 5.436 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.875 -11.635 6.721 1.00 0.00 C ATOM 245 NH1 ARG A 16 -5.158 -11.524 7.053 1.00 0.00 N ATOM 246 NH2 ARG A 16 -2.959 -11.750 7.675 1.00 0.00 N ATOM 0 H ARG A 16 -1.679 -9.852 1.422 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.286 -10.299 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.090 -9.198 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.824 -9.380 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.183 -11.836 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.684 -11.528 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.228 -10.942 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.858 -12.629 4.188 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.493 -11.647 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.868 -11.442 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.432 -11.521 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.974 -11.842 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.240 -11.746 8.655 1.00 0.00 H new ATOM 260 N ALA A 17 -3.656 -7.071 0.900 1.00 0.00 N ATOM 261 CA ALA A 17 -4.154 -5.772 0.467 1.00 0.00 C ATOM 262 C ALA A 17 -4.299 -5.710 -1.052 1.00 0.00 C ATOM 263 O ALA A 17 -5.357 -5.298 -1.515 1.00 0.00 O ATOM 264 CB ALA A 17 -3.227 -4.646 0.930 1.00 0.00 C ATOM 0 H ALA A 17 -2.731 -7.046 1.329 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.136 -5.639 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.622 -3.688 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.164 -4.651 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.233 -4.797 0.509 1.00 0.00 H new ATOM 270 N LYS A 18 -3.288 -6.091 -1.847 1.00 0.00 N ATOM 271 CA LYS A 18 -3.418 -6.025 -3.312 1.00 0.00 C ATOM 272 C LYS A 18 -4.598 -6.870 -3.791 1.00 0.00 C ATOM 273 O LYS A 18 -5.319 -6.442 -4.688 1.00 0.00 O ATOM 274 CB LYS A 18 -2.118 -6.424 -4.035 1.00 0.00 C ATOM 275 CG LYS A 18 -1.029 -5.347 -3.883 1.00 0.00 C ATOM 276 CD LYS A 18 0.180 -5.530 -4.816 1.00 0.00 C ATOM 277 CE LYS A 18 0.918 -6.846 -4.547 1.00 0.00 C ATOM 278 NZ LYS A 18 2.248 -6.898 -5.194 1.00 0.00 N ATOM 0 H LYS A 18 -2.390 -6.441 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.613 -4.984 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.754 -7.369 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.325 -6.586 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.473 -4.370 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.679 -5.345 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.155 -5.508 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.868 -4.695 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.036 -6.978 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.311 -7.678 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.638 -7.859 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.155 -6.649 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.887 -6.223 -4.728 1.00 0.00 H new ATOM 292 N ALA A 19 -4.844 -8.023 -3.168 1.00 0.00 N ATOM 293 CA ALA A 19 -5.996 -8.857 -3.467 1.00 0.00 C ATOM 294 C ALA A 19 -7.298 -8.111 -3.176 1.00 0.00 C ATOM 295 O ALA A 19 -8.247 -8.210 -3.953 1.00 0.00 O ATOM 296 CB ALA A 19 -5.900 -10.161 -2.670 1.00 0.00 C ATOM 0 H ALA A 19 -4.242 -8.402 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.000 -9.101 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.763 -10.788 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.987 -10.689 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.881 -9.935 -1.604 1.00 0.00 H new ATOM 302 N LEU A 20 -7.335 -7.337 -2.087 1.00 0.00 N ATOM 303 CA LEU A 20 -8.497 -6.529 -1.734 1.00 0.00 C ATOM 304 C LEU A 20 -8.702 -5.451 -2.793 1.00 0.00 C ATOM 305 O LEU A 20 -9.816 -5.279 -3.268 1.00 0.00 O ATOM 306 CB LEU A 20 -8.350 -5.955 -0.311 1.00 0.00 C ATOM 307 CG LEU A 20 -9.640 -5.285 0.209 1.00 0.00 C ATOM 308 CD1 LEU A 20 -9.700 -5.397 1.735 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.738 -3.791 -0.127 1.00 0.00 C ATOM 0 H LEU A 20 -6.560 -7.256 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.393 -7.150 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.065 -6.757 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.540 -5.226 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.460 -5.807 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.612 -4.923 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.698 -6.448 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.834 -4.899 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.670 -3.389 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.896 -3.262 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.718 -3.659 -1.209 1.00 0.00 H new ATOM 321 N LEU A 21 -7.645 -4.751 -3.211 1.00 0.00 N ATOM 322 CA LEU A 21 -7.745 -3.684 -4.203 1.00 0.00 C ATOM 323 C LEU A 21 -8.266 -4.214 -5.536 1.00 0.00 C ATOM 324 O LEU A 21 -9.110 -3.573 -6.165 1.00 0.00 O ATOM 325 CB LEU A 21 -6.380 -3.009 -4.411 1.00 0.00 C ATOM 326 CG LEU A 21 -5.776 -2.302 -3.186 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.524 -1.548 -3.625 1.00 0.00 C ATOM 328 CD2 LEU A 21 -6.739 -1.330 -2.501 1.00 0.00 C ATOM 0 H LEU A 21 -6.697 -4.910 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.454 -2.948 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.673 -3.765 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.478 -2.278 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.544 -3.074 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.084 -1.041 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.802 -2.252 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.790 -0.812 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.244 -0.869 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.038 -0.556 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.622 -1.872 -2.161 1.00 0.00 H new ATOM 340 N SER A 22 -7.803 -5.390 -5.959 1.00 0.00 N ATOM 341 CA SER A 22 -8.295 -6.034 -7.167 1.00 0.00 C ATOM 342 C SER A 22 -9.769 -6.411 -6.998 1.00 0.00 C ATOM 343 O SER A 22 -10.545 -6.256 -7.939 1.00 0.00 O ATOM 344 CB SER A 22 -7.433 -7.257 -7.486 1.00 0.00 C ATOM 345 OG SER A 22 -6.079 -6.878 -7.669 1.00 0.00 O ATOM 0 H SER A 22 -7.079 -5.918 -5.473 1.00 0.00 H new ATOM 0 HA SER A 22 -8.225 -5.343 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.507 -7.982 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.805 -7.746 -8.387 1.00 0.00 H new ATOM 0 HG SER A 22 -5.674 -6.679 -6.799 1.00 0.00 H new ATOM 351 N SER A 23 -10.194 -6.839 -5.808 1.00 0.00 N ATOM 352 CA SER A 23 -11.592 -7.144 -5.536 1.00 0.00 C ATOM 353 C SER A 23 -12.461 -5.890 -5.440 1.00 0.00 C ATOM 354 O SER A 23 -13.635 -5.948 -5.809 1.00 0.00 O ATOM 355 CB SER A 23 -11.694 -7.985 -4.266 1.00 0.00 C ATOM 356 OG SER A 23 -11.283 -9.302 -4.590 1.00 0.00 O ATOM 0 H SER A 23 -9.576 -6.983 -5.009 1.00 0.00 H new ATOM 0 HA SER A 23 -11.979 -7.715 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.063 -7.570 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.716 -7.985 -3.888 1.00 0.00 H new ATOM 0 HG SER A 23 -11.336 -9.867 -3.791 1.00 0.00 H new ATOM 362 N LYS A 24 -11.913 -4.748 -5.013 1.00 0.00 N ATOM 363 CA LYS A 24 -12.609 -3.479 -5.102 1.00 0.00 C ATOM 364 C LYS A 24 -12.607 -2.970 -6.546 1.00 0.00 C ATOM 365 O LYS A 24 -13.408 -2.099 -6.876 1.00 0.00 O ATOM 366 CB LYS A 24 -11.959 -2.486 -4.131 1.00 0.00 C ATOM 367 CG LYS A 24 -12.210 -2.766 -2.643 1.00 0.00 C ATOM 368 CD LYS A 24 -13.671 -2.792 -2.177 1.00 0.00 C ATOM 369 CE LYS A 24 -14.397 -1.438 -2.091 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.802 -0.855 -3.390 1.00 0.00 N ATOM 0 H LYS A 24 -10.982 -4.686 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.654 -3.600 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.883 -2.482 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.323 -1.485 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.759 -3.728 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.682 -2.010 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.232 -3.436 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.705 -3.259 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.286 -1.560 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.748 -0.728 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.661 -0.283 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.036 -0.253 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.994 -1.619 -4.069 1.00 0.00 H new ATOM 384 N GLY A 25 -11.761 -3.529 -7.413 1.00 0.00 N ATOM 385 CA GLY A 25 -11.728 -3.229 -8.828 1.00 0.00 C ATOM 386 C GLY A 25 -11.244 -1.807 -9.029 1.00 0.00 C ATOM 387 O GLY A 25 -11.875 -1.046 -9.764 1.00 0.00 O ATOM 0 H GLY A 25 -11.065 -4.220 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.068 -3.926 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.721 -3.352 -9.260 1.00 0.00 H new ATOM 391 N VAL A 26 -10.157 -1.446 -8.347 1.00 0.00 N ATOM 392 CA VAL A 26 -9.614 -0.089 -8.365 1.00 0.00 C ATOM 393 C VAL A 26 -8.377 -0.015 -9.262 1.00 0.00 C ATOM 394 O VAL A 26 -7.832 -1.046 -9.673 1.00 0.00 O ATOM 395 CB VAL A 26 -9.331 0.393 -6.926 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.489 0.065 -5.980 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.036 -0.188 -6.344 1.00 0.00 C ATOM 0 H VAL A 26 -9.626 -2.092 -7.763 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.354 0.588 -8.792 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.217 1.474 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.251 0.420 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.397 0.554 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.644 -1.014 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.892 0.188 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.103 -1.276 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.192 0.111 -6.965 1.00 0.00 H new ATOM 407 N SER A 27 -7.903 1.201 -9.514 1.00 0.00 N ATOM 408 CA SER A 27 -6.660 1.509 -10.199 1.00 0.00 C ATOM 409 C SER A 27 -5.637 1.954 -9.151 1.00 0.00 C ATOM 410 O SER A 27 -5.845 2.962 -8.470 1.00 0.00 O ATOM 411 CB SER A 27 -6.945 2.584 -11.259 1.00 0.00 C ATOM 412 OG SER A 27 -7.780 3.616 -10.755 1.00 0.00 O ATOM 0 H SER A 27 -8.406 2.041 -9.229 1.00 0.00 H new ATOM 0 HA SER A 27 -6.246 0.644 -10.717 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.004 3.014 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.420 2.123 -12.125 1.00 0.00 H new ATOM 0 HG SER A 27 -7.506 3.841 -9.841 1.00 0.00 H new ATOM 418 N PHE A 28 -4.539 1.215 -8.986 1.00 0.00 N ATOM 419 CA PHE A 28 -3.440 1.587 -8.099 1.00 0.00 C ATOM 420 C PHE A 28 -2.097 1.385 -8.808 1.00 0.00 C ATOM 421 O PHE A 28 -2.017 0.640 -9.786 1.00 0.00 O ATOM 422 CB PHE A 28 -3.515 0.750 -6.815 1.00 0.00 C ATOM 423 CG PHE A 28 -3.450 -0.764 -6.991 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.607 -1.497 -7.324 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.238 -1.454 -6.800 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.561 -2.898 -7.444 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.190 -2.856 -6.915 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.352 -3.580 -7.234 1.00 0.00 C ATOM 0 H PHE A 28 -4.388 0.331 -9.471 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.525 2.641 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.698 1.054 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.444 0.995 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.539 -0.977 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.339 -0.904 -6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.455 -3.448 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.257 -3.377 -6.758 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.315 -4.656 -7.317 1.00 0.00 H new ATOM 438 N GLN A 29 -1.033 1.985 -8.279 1.00 0.00 N ATOM 439 CA GLN A 29 0.342 1.714 -8.680 1.00 0.00 C ATOM 440 C GLN A 29 0.855 0.687 -7.683 1.00 0.00 C ATOM 441 O GLN A 29 0.622 0.816 -6.481 1.00 0.00 O ATOM 442 CB GLN A 29 1.208 2.996 -8.702 1.00 0.00 C ATOM 443 CG GLN A 29 2.697 2.720 -8.428 1.00 0.00 C ATOM 444 CD GLN A 29 3.694 3.768 -8.911 1.00 0.00 C ATOM 445 OE1 GLN A 29 4.773 3.401 -9.370 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.429 5.054 -8.791 1.00 0.00 N ATOM 0 H GLN A 29 -1.106 2.688 -7.544 1.00 0.00 H new ATOM 0 HA GLN A 29 0.393 1.336 -9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.107 3.480 -9.673 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.831 3.696 -7.956 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.827 2.599 -7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.956 1.767 -8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.533 5.357 -8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.120 5.746 -9.079 1.00 0.00 H new ATOM 455 N GLU A 30 1.609 -0.290 -8.167 1.00 0.00 N ATOM 456 CA GLU A 30 2.206 -1.337 -7.359 1.00 0.00 C ATOM 457 C GLU A 30 3.724 -1.174 -7.449 1.00 0.00 C ATOM 458 O GLU A 30 4.267 -0.920 -8.534 1.00 0.00 O ATOM 459 CB GLU A 30 1.654 -2.693 -7.821 1.00 0.00 C ATOM 460 CG GLU A 30 2.249 -3.176 -9.150 1.00 0.00 C ATOM 461 CD GLU A 30 1.574 -4.444 -9.658 1.00 0.00 C ATOM 462 OE1 GLU A 30 0.337 -4.441 -9.835 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.290 -5.451 -9.884 1.00 0.00 O ATOM 0 H GLU A 30 1.827 -0.376 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 30 1.950 -1.273 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.853 -3.438 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.571 -2.620 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.149 -2.389 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.316 -3.361 -9.022 1.00 0.00 H new ATOM 470 N LEU A 31 4.407 -1.239 -6.309 1.00 0.00 N ATOM 471 CA LEU A 31 5.826 -0.946 -6.171 1.00 0.00 C ATOM 472 C LEU A 31 6.500 -2.168 -5.560 1.00 0.00 C ATOM 473 O LEU A 31 6.293 -2.438 -4.374 1.00 0.00 O ATOM 474 CB LEU A 31 6.058 0.301 -5.314 1.00 0.00 C ATOM 475 CG LEU A 31 5.556 1.567 -6.027 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.419 2.206 -5.247 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.673 2.584 -6.205 1.00 0.00 C ATOM 0 H LEU A 31 3.970 -1.507 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 31 6.256 -0.733 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.544 0.190 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.121 0.402 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 31 5.198 1.263 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.078 3.100 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.594 1.499 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.769 2.478 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.284 3.467 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.064 2.870 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.473 2.145 -6.802 1.00 0.00 H new ATOM 489 N PRO A 32 7.271 -2.934 -6.340 1.00 0.00 N ATOM 490 CA PRO A 32 8.057 -4.026 -5.804 1.00 0.00 C ATOM 491 C PRO A 32 9.266 -3.451 -5.077 1.00 0.00 C ATOM 492 O PRO A 32 9.771 -2.391 -5.441 1.00 0.00 O ATOM 493 CB PRO A 32 8.508 -4.824 -7.024 1.00 0.00 C ATOM 494 CG PRO A 32 8.576 -3.781 -8.149 1.00 0.00 C ATOM 495 CD PRO A 32 7.667 -2.634 -7.706 1.00 0.00 C ATOM 0 HA PRO A 32 7.501 -4.645 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.477 -5.294 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.804 -5.621 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.598 -3.434 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.240 -4.204 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.191 -1.680 -7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.795 -2.555 -8.356 1.00 0.00 H new ATOM 503 N ILE A 33 9.787 -4.175 -4.096 1.00 0.00 N ATOM 504 CA ILE A 33 11.010 -3.815 -3.392 1.00 0.00 C ATOM 505 C ILE A 33 12.099 -4.867 -3.621 1.00 0.00 C ATOM 506 O ILE A 33 13.262 -4.585 -3.340 1.00 0.00 O ATOM 507 CB ILE A 33 10.638 -3.560 -1.913 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.750 -2.301 -1.786 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.845 -3.489 -0.967 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.498 -0.975 -1.961 1.00 0.00 C ATOM 0 H ILE A 33 9.366 -5.042 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 33 11.451 -2.896 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 33 10.071 -4.433 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.955 -2.356 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.271 -2.307 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.499 -3.308 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.391 -4.432 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.503 -2.677 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.798 -0.146 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.275 -0.892 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.954 -0.942 -2.951 1.00 0.00 H new ATOM 575 N LYS A 39 14.703 2.246 -3.514 1.00 0.00 N ATOM 576 CA LYS A 39 13.394 2.810 -3.217 1.00 0.00 C ATOM 577 C LYS A 39 12.958 2.478 -1.804 1.00 0.00 C ATOM 578 O LYS A 39 12.273 3.273 -1.175 1.00 0.00 O ATOM 579 CB LYS A 39 12.386 2.241 -4.207 1.00 0.00 C ATOM 580 CG LYS A 39 11.024 2.936 -4.181 1.00 0.00 C ATOM 581 CD LYS A 39 11.098 4.379 -4.688 1.00 0.00 C ATOM 582 CE LYS A 39 9.689 4.954 -4.638 1.00 0.00 C ATOM 583 NZ LYS A 39 9.430 5.872 -5.762 1.00 0.00 N ATOM 0 HA LYS A 39 13.450 3.895 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.800 2.314 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.245 1.181 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.320 2.374 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.635 2.931 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.775 4.968 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.488 4.409 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.964 4.140 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.546 5.484 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.461 6.242 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.105 6.662 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.541 5.360 -6.661 1.00 0.00 H new ATOM 597 N ARG A 40 13.317 1.297 -1.309 1.00 0.00 N ATOM 598 CA ARG A 40 13.105 0.917 0.086 1.00 0.00 C ATOM 599 C ARG A 40 13.744 1.937 1.005 1.00 0.00 C ATOM 600 O ARG A 40 13.092 2.393 1.939 1.00 0.00 O ATOM 601 CB ARG A 40 13.642 -0.494 0.354 1.00 0.00 C ATOM 602 CG ARG A 40 13.306 -1.076 1.739 1.00 0.00 C ATOM 603 CD ARG A 40 14.402 -0.831 2.786 1.00 0.00 C ATOM 604 NE ARG A 40 15.696 -1.427 2.395 1.00 0.00 N ATOM 605 CZ ARG A 40 16.794 -1.485 3.157 1.00 0.00 C ATOM 606 NH1 ARG A 40 16.748 -1.167 4.444 1.00 0.00 N ATOM 607 NH2 ARG A 40 17.947 -1.867 2.624 1.00 0.00 N ATOM 0 H ARG A 40 13.766 0.571 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 40 12.034 0.901 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.248 -1.165 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.726 -0.480 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 40 12.372 -0.638 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.139 -2.149 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.528 0.242 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.087 -1.248 3.743 1.00 0.00 H new ATOM 0 HE ARG A 40 15.758 -1.830 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.867 -0.873 4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.594 -1.216 5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.995 -2.115 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.786 -1.912 3.202 1.00 0.00 H new ATOM 621 N GLU A 41 15.003 2.285 0.776 1.00 0.00 N ATOM 622 CA GLU A 41 15.634 3.278 1.628 1.00 0.00 C ATOM 623 C GLU A 41 15.017 4.663 1.411 1.00 0.00 C ATOM 624 O GLU A 41 14.856 5.397 2.385 1.00 0.00 O ATOM 625 CB GLU A 41 17.157 3.239 1.507 1.00 0.00 C ATOM 626 CG GLU A 41 17.680 1.901 2.066 1.00 0.00 C ATOM 627 CD GLU A 41 19.112 1.990 2.588 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.348 2.699 3.596 1.00 0.00 O ATOM 629 OE2 GLU A 41 20.000 1.276 2.070 1.00 0.00 O ATOM 0 H GLU A 41 15.590 1.908 0.032 1.00 0.00 H new ATOM 0 HA GLU A 41 15.429 3.027 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.453 3.351 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.598 4.072 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.025 1.570 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.631 1.143 1.284 1.00 0.00 H new ATOM 636 N GLU A 42 14.543 5.009 0.208 1.00 0.00 N ATOM 637 CA GLU A 42 13.743 6.225 0.048 1.00 0.00 C ATOM 638 C GLU A 42 12.467 6.142 0.892 1.00 0.00 C ATOM 639 O GLU A 42 12.102 7.106 1.558 1.00 0.00 O ATOM 640 CB GLU A 42 13.434 6.532 -1.425 1.00 0.00 C ATOM 641 CG GLU A 42 12.749 7.905 -1.590 1.00 0.00 C ATOM 642 CD GLU A 42 13.515 9.053 -0.913 1.00 0.00 C ATOM 643 OE1 GLU A 42 14.760 9.125 -1.085 1.00 0.00 O ATOM 644 OE2 GLU A 42 12.888 9.850 -0.184 1.00 0.00 O ATOM 0 H GLU A 42 14.695 4.477 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 42 14.339 7.062 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.359 6.515 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.790 5.753 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.643 8.125 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.743 7.854 -1.173 1.00 0.00 H new ATOM 651 N MET A 43 11.832 4.969 0.962 1.00 0.00 N ATOM 652 CA MET A 43 10.663 4.684 1.769 1.00 0.00 C ATOM 653 C MET A 43 10.891 4.992 3.251 1.00 0.00 C ATOM 654 O MET A 43 9.908 5.033 3.981 1.00 0.00 O ATOM 655 CB MET A 43 10.191 3.235 1.550 1.00 0.00 C ATOM 656 CG MET A 43 8.708 2.977 1.826 1.00 0.00 C ATOM 657 SD MET A 43 8.338 1.237 2.193 1.00 0.00 S ATOM 658 CE MET A 43 9.102 0.400 0.784 1.00 0.00 C ATOM 0 H MET A 43 12.142 4.158 0.427 1.00 0.00 H new ATOM 0 HA MET A 43 9.866 5.351 1.439 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.405 2.953 0.519 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.781 2.578 2.189 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.389 3.594 2.666 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.124 3.291 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.513 -0.478 0.519 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.141 1.081 -0.066 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.113 0.091 1.049 1.00 0.00 H new ATOM 668 N ILE A 44 12.122 5.227 3.721 1.00 0.00 N ATOM 669 CA ILE A 44 12.342 5.761 5.064 1.00 0.00 C ATOM 670 C ILE A 44 11.712 7.156 5.054 1.00 0.00 C ATOM 671 O ILE A 44 10.618 7.308 5.585 1.00 0.00 O ATOM 672 CB ILE A 44 13.832 5.801 5.491 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.575 4.452 5.368 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.967 6.319 6.934 1.00 0.00 C ATOM 675 CD1 ILE A 44 16.100 4.605 5.305 1.00 0.00 C ATOM 0 H ILE A 44 12.976 5.055 3.191 1.00 0.00 H new ATOM 0 HA ILE A 44 11.886 5.107 5.807 1.00 0.00 H new ATOM 0 HB ILE A 44 14.307 6.482 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.314 3.822 6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.231 3.936 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.020 6.340 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.554 7.325 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.423 5.659 7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.561 3.621 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.370 5.209 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.454 5.094 6.212 1.00 0.00 H new ATOM 687 N LYS A 45 12.307 8.172 4.421 1.00 0.00 N ATOM 688 CA LYS A 45 11.774 9.523 4.480 1.00 0.00 C ATOM 689 C LYS A 45 10.456 9.658 3.713 1.00 0.00 C ATOM 690 O LYS A 45 9.680 10.574 3.999 1.00 0.00 O ATOM 691 CB LYS A 45 12.875 10.493 4.029 1.00 0.00 C ATOM 692 CG LYS A 45 12.446 11.943 4.264 1.00 0.00 C ATOM 693 CD LYS A 45 13.612 12.931 4.381 1.00 0.00 C ATOM 694 CE LYS A 45 14.355 13.118 3.059 1.00 0.00 C ATOM 695 NZ LYS A 45 15.386 14.165 3.181 1.00 0.00 N ATOM 0 H LYS A 45 13.157 8.078 3.864 1.00 0.00 H new ATOM 0 HA LYS A 45 11.501 9.780 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.795 10.287 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.092 10.339 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.799 12.256 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.851 11.991 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.234 13.895 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.310 12.576 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.819 12.178 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.648 13.387 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.878 14.275 2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.937 15.066 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.071 13.894 3.915 1.00 0.00 H new ATOM 709 N ARG A 46 10.137 8.755 2.781 1.00 0.00 N ATOM 710 CA ARG A 46 8.839 8.752 2.104 1.00 0.00 C ATOM 711 C ARG A 46 7.714 8.276 3.013 1.00 0.00 C ATOM 712 O ARG A 46 6.568 8.590 2.701 1.00 0.00 O ATOM 713 CB ARG A 46 8.870 7.912 0.808 1.00 0.00 C ATOM 714 CG ARG A 46 8.490 8.709 -0.450 1.00 0.00 C ATOM 715 CD ARG A 46 7.006 9.112 -0.495 1.00 0.00 C ATOM 716 NE ARG A 46 6.695 9.882 -1.712 1.00 0.00 N ATOM 717 CZ ARG A 46 6.967 11.175 -1.922 1.00 0.00 C ATOM 718 NH1 ARG A 46 7.472 11.925 -0.947 1.00 0.00 N ATOM 719 NH2 ARG A 46 6.740 11.700 -3.118 1.00 0.00 N ATOM 0 H ARG A 46 10.766 8.012 2.477 1.00 0.00 H new ATOM 0 HA ARG A 46 8.635 9.789 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.870 7.497 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.187 7.069 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.104 9.608 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.724 8.113 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.383 8.218 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.762 9.706 0.386 1.00 0.00 H new ATOM 0 HE ARG A 46 6.227 9.381 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.655 11.515 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.677 12.910 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.362 11.119 -3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.944 12.685 -3.290 1.00 0.00 H new ATOM 733 N SER A 47 7.970 7.529 4.094 1.00 0.00 N ATOM 734 CA SER A 47 6.872 6.982 4.900 1.00 0.00 C ATOM 735 C SER A 47 7.043 7.134 6.413 1.00 0.00 C ATOM 736 O SER A 47 6.085 6.909 7.151 1.00 0.00 O ATOM 737 CB SER A 47 6.693 5.510 4.539 1.00 0.00 C ATOM 738 OG SER A 47 7.686 4.688 5.118 1.00 0.00 O ATOM 0 H SER A 47 8.905 7.293 4.425 1.00 0.00 H new ATOM 0 HA SER A 47 5.986 7.569 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.710 5.175 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.720 5.399 3.455 1.00 0.00 H new ATOM 0 HG SER A 47 8.453 4.625 4.512 1.00 0.00 H new ATOM 744 N GLY A 48 8.256 7.434 6.878 1.00 0.00 N ATOM 745 CA GLY A 48 8.649 7.385 8.277 1.00 0.00 C ATOM 746 C GLY A 48 8.929 5.952 8.750 1.00 0.00 C ATOM 747 O GLY A 48 9.244 5.747 9.925 1.00 0.00 O ATOM 0 H GLY A 48 9.016 7.728 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.540 7.995 8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.860 7.821 8.890 1.00 0.00 H new ATOM 751 N ARG A 49 8.757 4.938 7.892 1.00 0.00 N ATOM 752 CA ARG A 49 8.765 3.517 8.247 1.00 0.00 C ATOM 753 C ARG A 49 9.932 2.810 7.557 1.00 0.00 C ATOM 754 O ARG A 49 10.896 2.529 8.245 1.00 0.00 O ATOM 755 CB ARG A 49 7.410 2.865 7.904 1.00 0.00 C ATOM 756 CG ARG A 49 6.272 2.893 8.931 1.00 0.00 C ATOM 757 CD ARG A 49 5.705 4.264 9.299 1.00 0.00 C ATOM 758 NE ARG A 49 6.515 4.988 10.278 1.00 0.00 N ATOM 759 CZ ARG A 49 6.127 6.027 11.022 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.866 6.448 11.013 1.00 0.00 N ATOM 761 NH2 ARG A 49 7.035 6.645 11.765 1.00 0.00 N ATOM 0 H ARG A 49 8.603 5.093 6.896 1.00 0.00 H new ATOM 0 HA ARG A 49 8.907 3.417 9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.040 3.341 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.604 1.820 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.456 2.280 8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.628 2.417 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.618 4.867 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.698 4.137 9.696 1.00 0.00 H new ATOM 0 HE ARG A 49 7.475 4.667 10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.175 5.975 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.590 7.244 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.003 6.324 11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.765 7.441 12.342 1.00 0.00 H new ATOM 775 N THR A 50 9.860 2.585 6.234 1.00 0.00 N ATOM 776 CA THR A 50 10.698 1.746 5.349 1.00 0.00 C ATOM 777 C THR A 50 10.202 0.290 5.312 1.00 0.00 C ATOM 778 O THR A 50 10.709 -0.535 4.545 1.00 0.00 O ATOM 779 CB THR A 50 12.209 1.842 5.690 1.00 0.00 C ATOM 780 OG1 THR A 50 13.022 1.654 4.549 1.00 0.00 O ATOM 781 CG2 THR A 50 12.757 0.788 6.666 1.00 0.00 C ATOM 0 H THR A 50 9.126 3.040 5.691 1.00 0.00 H new ATOM 0 HA THR A 50 10.590 2.149 4.342 1.00 0.00 H new ATOM 0 HB THR A 50 12.256 2.837 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.660 2.173 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.822 0.959 6.826 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.231 0.865 7.617 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.608 -0.207 6.248 1.00 0.00 H new ATOM 789 N THR A 51 9.199 -0.042 6.114 1.00 0.00 N ATOM 790 CA THR A 51 8.700 -1.386 6.328 1.00 0.00 C ATOM 791 C THR A 51 7.362 -1.516 5.602 1.00 0.00 C ATOM 792 O THR A 51 6.757 -0.507 5.229 1.00 0.00 O ATOM 793 CB THR A 51 8.629 -1.573 7.857 1.00 0.00 C ATOM 794 OG1 THR A 51 7.728 -0.641 8.420 1.00 0.00 O ATOM 795 CG2 THR A 51 9.995 -1.283 8.503 1.00 0.00 C ATOM 0 H THR A 51 8.690 0.655 6.657 1.00 0.00 H new ATOM 0 HA THR A 51 9.333 -2.176 5.924 1.00 0.00 H new ATOM 0 HB THR A 51 8.315 -2.600 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.689 -0.769 9.391 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.924 -1.421 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.741 -1.967 8.099 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.289 -0.256 8.287 1.00 0.00 H new ATOM 803 N VAL A 52 6.903 -2.743 5.373 1.00 0.00 N ATOM 804 CA VAL A 52 5.774 -3.023 4.491 1.00 0.00 C ATOM 805 C VAL A 52 4.714 -3.849 5.241 1.00 0.00 C ATOM 806 O VAL A 52 5.051 -4.476 6.254 1.00 0.00 O ATOM 807 CB VAL A 52 6.303 -3.739 3.228 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.829 -2.725 2.202 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.349 -4.828 3.509 1.00 0.00 C ATOM 0 H VAL A 52 7.307 -3.578 5.798 1.00 0.00 H new ATOM 0 HA VAL A 52 5.286 -2.100 4.178 1.00 0.00 H new ATOM 0 HB VAL A 52 5.443 -4.262 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.196 -3.254 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.023 -2.051 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.642 -2.149 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.666 -5.279 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.211 -4.385 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.913 -5.594 4.150 1.00 0.00 H new ATOM 819 N PRO A 53 3.458 -3.935 4.758 1.00 0.00 N ATOM 820 CA PRO A 53 2.909 -3.244 3.587 1.00 0.00 C ATOM 821 C PRO A 53 2.857 -1.736 3.776 1.00 0.00 C ATOM 822 O PRO A 53 2.880 -1.258 4.912 1.00 0.00 O ATOM 823 CB PRO A 53 1.474 -3.757 3.409 1.00 0.00 C ATOM 824 CG PRO A 53 1.349 -4.931 4.371 1.00 0.00 C ATOM 825 CD PRO A 53 2.414 -4.690 5.428 1.00 0.00 C ATOM 0 HA PRO A 53 3.545 -3.443 2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.746 -2.979 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.292 -4.069 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.355 -4.973 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.509 -5.880 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.009 -4.135 6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.799 -5.632 5.819 1.00 0.00 H new ATOM 833 N GLN A 54 2.739 -1.001 2.669 1.00 0.00 N ATOM 834 CA GLN A 54 2.440 0.420 2.691 1.00 0.00 C ATOM 835 C GLN A 54 1.464 0.723 1.580 1.00 0.00 C ATOM 836 O GLN A 54 1.655 0.197 0.489 1.00 0.00 O ATOM 837 CB GLN A 54 3.661 1.295 2.404 1.00 0.00 C ATOM 838 CG GLN A 54 4.929 0.964 3.188 1.00 0.00 C ATOM 839 CD GLN A 54 5.555 2.233 3.739 1.00 0.00 C ATOM 840 OE1 GLN A 54 5.567 3.273 3.093 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.002 2.203 4.975 1.00 0.00 N ATOM 0 H GLN A 54 2.850 -1.383 1.730 1.00 0.00 H new ATOM 0 HA GLN A 54 2.060 0.639 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.889 1.227 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.394 2.332 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.692 0.283 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.641 0.450 2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.986 1.330 5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.365 3.053 5.407 1.00 0.00 H new ATOM 850 N ILE A 55 0.494 1.598 1.827 1.00 0.00 N ATOM 851 CA ILE A 55 -0.370 2.186 0.810 1.00 0.00 C ATOM 852 C ILE A 55 -0.212 3.683 1.016 1.00 0.00 C ATOM 853 O ILE A 55 -0.052 4.145 2.154 1.00 0.00 O ATOM 854 CB ILE A 55 -1.878 1.816 0.865 1.00 0.00 C ATOM 855 CG1 ILE A 55 -2.200 0.528 1.633 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.462 1.719 -0.553 1.00 0.00 C ATOM 857 CD1 ILE A 55 -2.387 0.867 3.110 1.00 0.00 C ATOM 0 H ILE A 55 0.282 1.927 2.769 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.063 1.801 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.343 2.628 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.104 0.067 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.394 -0.195 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.519 1.459 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.352 2.679 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.930 0.951 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.617 -0.042 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.471 1.309 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.208 1.576 3.220 1.00 0.00 H new ATOM 869 N PHE A 56 -0.290 4.432 -0.069 1.00 0.00 N ATOM 870 CA PHE A 56 -0.396 5.865 -0.094 1.00 0.00 C ATOM 871 C PHE A 56 -1.676 6.142 -0.854 1.00 0.00 C ATOM 872 O PHE A 56 -1.884 5.499 -1.881 1.00 0.00 O ATOM 873 CB PHE A 56 0.799 6.451 -0.830 1.00 0.00 C ATOM 874 CG PHE A 56 2.092 6.410 -0.049 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.735 5.181 0.194 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.671 7.601 0.419 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.908 5.136 0.960 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.851 7.556 1.174 1.00 0.00 C ATOM 879 CZ PHE A 56 4.438 6.322 1.495 1.00 0.00 C ATOM 0 H PHE A 56 -0.280 4.026 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.411 6.306 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.936 5.909 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.578 7.486 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.323 4.269 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.207 8.551 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.403 4.193 1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.310 8.474 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.295 6.284 2.151 1.00 0.00 H new ATOM 889 N ILE A 57 -2.535 7.032 -0.363 1.00 0.00 N ATOM 890 CA ILE A 57 -3.814 7.333 -0.983 1.00 0.00 C ATOM 891 C ILE A 57 -3.947 8.850 -0.927 1.00 0.00 C ATOM 892 O ILE A 57 -3.887 9.426 0.156 1.00 0.00 O ATOM 893 CB ILE A 57 -4.924 6.558 -0.251 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.667 5.028 -0.295 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.287 6.896 -0.868 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.763 4.172 0.336 1.00 0.00 C ATOM 0 H ILE A 57 -2.357 7.568 0.486 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.894 7.018 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.922 6.861 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.543 4.725 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.725 4.818 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.069 6.345 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.473 7.966 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.288 6.618 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.493 3.119 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.874 4.440 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.705 4.345 -0.184 1.00 0.00 H new ATOM 908 N ASP A 58 -4.087 9.515 -2.074 1.00 0.00 N ATOM 909 CA ASP A 58 -3.981 10.965 -2.208 1.00 0.00 C ATOM 910 C ASP A 58 -2.679 11.437 -1.555 1.00 0.00 C ATOM 911 O ASP A 58 -2.670 12.404 -0.790 1.00 0.00 O ATOM 912 CB ASP A 58 -5.194 11.751 -1.703 1.00 0.00 C ATOM 913 CG ASP A 58 -6.559 11.249 -2.132 1.00 0.00 C ATOM 914 OD1 ASP A 58 -6.881 11.317 -3.339 1.00 0.00 O ATOM 915 OD2 ASP A 58 -7.340 10.887 -1.227 1.00 0.00 O ATOM 0 H ASP A 58 -4.282 9.046 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.963 11.181 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.163 11.762 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.092 12.784 -2.035 1.00 0.00 H new ATOM 920 N ALA A 59 -1.588 10.700 -1.809 1.00 0.00 N ATOM 921 CA ALA A 59 -0.226 10.914 -1.320 1.00 0.00 C ATOM 922 C ALA A 59 -0.030 10.645 0.182 1.00 0.00 C ATOM 923 O ALA A 59 1.092 10.738 0.683 1.00 0.00 O ATOM 924 CB ALA A 59 0.208 12.335 -1.666 1.00 0.00 C ATOM 0 H ALA A 59 -1.644 9.876 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 59 0.401 10.177 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.223 12.504 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.180 12.471 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.468 13.047 -1.193 1.00 0.00 H new ATOM 930 N GLN A 60 -1.101 10.324 0.900 1.00 0.00 N ATOM 931 CA GLN A 60 -1.156 10.166 2.346 1.00 0.00 C ATOM 932 C GLN A 60 -0.679 8.758 2.696 1.00 0.00 C ATOM 933 O GLN A 60 -1.328 7.794 2.293 1.00 0.00 O ATOM 934 CB GLN A 60 -2.625 10.383 2.730 1.00 0.00 C ATOM 935 CG GLN A 60 -2.930 10.736 4.183 1.00 0.00 C ATOM 936 CD GLN A 60 -4.439 10.955 4.342 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.090 10.328 5.175 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.042 11.795 3.515 1.00 0.00 N ATOM 0 H GLN A 60 -2.006 10.158 0.461 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.520 10.869 2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.023 11.179 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.175 9.475 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.595 9.935 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.387 11.636 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.496 12.312 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.052 11.925 3.567 1.00 0.00 H new ATOM 947 N HIS A 61 0.448 8.601 3.399 1.00 0.00 N ATOM 948 CA HIS A 61 0.914 7.279 3.831 1.00 0.00 C ATOM 949 C HIS A 61 -0.096 6.707 4.822 1.00 0.00 C ATOM 950 O HIS A 61 -0.231 7.241 5.924 1.00 0.00 O ATOM 951 CB HIS A 61 2.310 7.347 4.475 1.00 0.00 C ATOM 952 CG HIS A 61 2.772 6.028 5.071 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.433 5.876 6.282 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.536 4.778 4.556 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.584 4.553 6.500 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.066 3.876 5.460 1.00 0.00 N ATOM 0 H HIS A 61 1.054 9.372 3.681 1.00 0.00 H new ATOM 0 HA HIS A 61 0.996 6.634 2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.032 7.669 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.303 8.106 5.257 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.747 6.628 6.896 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.035 4.545 3.628 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.046 4.109 7.369 1.00 0.00 H new ATOM 965 N ILE A 62 -0.784 5.634 4.450 1.00 0.00 N ATOM 966 CA ILE A 62 -1.752 4.949 5.285 1.00 0.00 C ATOM 967 C ILE A 62 -1.011 3.981 6.220 1.00 0.00 C ATOM 968 O ILE A 62 -0.849 4.286 7.402 1.00 0.00 O ATOM 969 CB ILE A 62 -2.805 4.290 4.366 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.372 5.263 3.309 1.00 0.00 C ATOM 971 CG2 ILE A 62 -3.941 3.613 5.150 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.010 6.542 3.865 1.00 0.00 C ATOM 0 H ILE A 62 -0.677 5.207 3.530 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.297 5.629 5.939 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.266 3.508 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.567 5.545 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.118 4.734 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.650 3.168 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.527 2.835 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.453 4.355 5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.376 7.154 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.842 6.279 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.267 7.103 4.432 1.00 0.00 H new ATOM 984 N GLY A 63 -0.512 2.842 5.719 1.00 0.00 N ATOM 985 CA GLY A 63 -0.006 1.766 6.574 1.00 0.00 C ATOM 986 C GLY A 63 -0.138 0.370 5.951 1.00 0.00 C ATOM 987 O GLY A 63 0.047 0.223 4.744 1.00 0.00 O ATOM 0 H GLY A 63 -0.449 2.644 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.043 1.956 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.544 1.784 7.522 1.00 0.00 H new ATOM 991 N GLY A 64 -0.387 -0.652 6.775 1.00 0.00 N ATOM 992 CA GLY A 64 -0.380 -2.073 6.432 1.00 0.00 C ATOM 993 C GLY A 64 -1.699 -2.560 5.818 1.00 0.00 C ATOM 994 O GLY A 64 -2.561 -1.755 5.466 1.00 0.00 O ATOM 0 H GLY A 64 -0.612 -0.498 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.431 -2.265 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.170 -2.654 7.330 1.00 0.00 H new ATOM 998 N TYR A 65 -1.874 -3.874 5.618 1.00 0.00 N ATOM 999 CA TYR A 65 -3.129 -4.413 5.075 1.00 0.00 C ATOM 1000 C TYR A 65 -4.226 -4.320 6.114 1.00 0.00 C ATOM 1001 O TYR A 65 -5.355 -4.008 5.776 1.00 0.00 O ATOM 1002 CB TYR A 65 -3.022 -5.866 4.592 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.341 -6.614 4.480 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.334 -6.185 3.582 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.600 -7.708 5.328 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.539 -6.894 3.448 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.822 -8.389 5.240 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.781 -8.012 4.277 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.913 -8.752 4.161 1.00 0.00 O ATOM 0 H TYR A 65 -1.167 -4.580 5.823 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.363 -3.803 4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.536 -5.872 3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.371 -6.411 5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.168 -5.299 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.857 -8.022 6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.274 -6.587 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.030 -9.207 5.914 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.611 -8.375 4.736 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.909 -4.602 7.367 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.854 -4.459 8.464 1.00 0.00 C ATOM 1021 C ASP A 66 -5.326 -3.005 8.607 1.00 0.00 C ATOM 1022 O ASP A 66 -6.514 -2.786 8.827 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.204 -5.087 9.694 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.670 -4.537 11.032 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -4.145 -3.480 11.439 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -5.382 -5.260 11.763 1.00 0.00 O ATOM 0 H ASP A 66 -2.989 -4.937 7.653 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.789 -4.991 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.394 -6.160 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.125 -4.953 9.622 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.459 -2.021 8.331 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.856 -0.608 8.257 1.00 0.00 C ATOM 1033 C ASP A 67 -5.773 -0.368 7.052 1.00 0.00 C ATOM 1034 O ASP A 67 -6.823 0.261 7.158 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.638 0.321 8.113 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.733 0.376 9.338 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.173 0.851 10.409 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.540 0.022 9.222 1.00 0.00 O ATOM 0 H ASP A 67 -3.467 -2.181 8.154 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.376 -0.382 9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.048 -0.005 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.990 1.329 7.892 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.366 -0.852 5.878 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.081 -0.690 4.612 1.00 0.00 C ATOM 1045 C LEU A 68 -7.466 -1.305 4.666 1.00 0.00 C ATOM 1046 O LEU A 68 -8.431 -0.743 4.155 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.237 -1.379 3.519 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.684 -1.338 2.049 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.699 -2.424 1.684 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.186 0.041 1.631 1.00 0.00 C ATOM 0 H LEU A 68 -4.502 -1.385 5.779 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.216 0.371 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.237 -0.947 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.143 -2.429 3.798 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.781 -1.554 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.968 -2.332 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.261 -3.406 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.592 -2.308 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.489 0.016 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.039 0.321 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.389 0.773 1.760 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.558 -2.487 5.252 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.783 -3.236 5.280 1.00 0.00 C ATOM 1064 C TYR A 69 -9.729 -2.544 6.258 1.00 0.00 C ATOM 1065 O TYR A 69 -10.916 -2.440 5.962 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.481 -4.682 5.675 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.642 -5.651 5.598 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.783 -5.356 4.828 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.487 -6.944 6.125 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.736 -6.341 4.557 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.438 -7.941 5.851 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.579 -7.643 5.069 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.495 -8.603 4.769 1.00 0.00 O ATOM 0 H TYR A 69 -6.778 -2.947 5.720 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.262 -3.268 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.682 -5.053 5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.098 -4.686 6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.923 -4.357 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.632 -7.173 6.744 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.598 -6.102 3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.298 -8.939 6.239 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.239 -9.445 5.200 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.212 -2.005 7.371 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.981 -1.138 8.244 1.00 0.00 C ATOM 1085 C ALA A 70 -10.488 0.084 7.468 1.00 0.00 C ATOM 1086 O ALA A 70 -11.676 0.397 7.571 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.151 -0.744 9.469 1.00 0.00 C ATOM 0 H ALA A 70 -8.253 -2.163 7.681 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.856 -1.677 8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.741 -0.094 10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.867 -1.641 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.253 -0.217 9.146 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.643 0.763 6.679 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.061 1.902 5.868 1.00 0.00 C ATOM 1095 C LEU A 71 -11.213 1.515 4.935 1.00 0.00 C ATOM 1096 O LEU A 71 -12.232 2.207 4.878 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.840 2.458 5.122 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.147 3.604 4.142 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.796 4.818 4.815 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.840 4.043 3.476 1.00 0.00 C ATOM 0 H LEU A 71 -8.653 0.534 6.589 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.451 2.695 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.114 2.810 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.368 1.645 4.571 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.863 3.224 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.986 5.589 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.737 4.519 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.127 5.211 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.042 4.855 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.140 4.385 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.406 3.201 2.937 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.091 0.391 4.227 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.162 -0.099 3.364 1.00 0.00 C ATOM 1114 C ASP A 72 -13.416 -0.455 4.164 1.00 0.00 C ATOM 1115 O ASP A 72 -14.538 -0.228 3.704 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.697 -1.276 2.496 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.839 -1.763 1.599 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.270 -0.992 0.717 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.322 -2.903 1.801 1.00 0.00 O ATOM 0 H ASP A 72 -10.258 -0.197 4.236 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.428 0.716 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.849 -0.971 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.353 -2.091 3.132 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.242 -0.947 5.391 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.323 -1.374 6.269 1.00 0.00 C ATOM 1126 C ALA A 73 -15.087 -0.193 6.876 1.00 0.00 C ATOM 1127 O ALA A 73 -16.216 -0.392 7.320 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.774 -2.301 7.359 1.00 0.00 C ATOM 0 H ALA A 73 -12.319 -1.061 5.810 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.044 -1.924 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.588 -2.617 8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.319 -3.177 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.024 -1.770 7.945 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.534 1.030 6.881 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.335 2.213 7.231 1.00 0.00 C ATOM 1136 C ARG A 74 -16.096 2.736 6.017 1.00 0.00 C ATOM 1137 O ARG A 74 -16.758 3.768 6.131 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.539 3.312 7.968 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.598 4.202 7.134 1.00 0.00 C ATOM 1140 CD ARG A 74 -13.970 5.696 7.151 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.065 6.026 6.216 1.00 0.00 N ATOM 1142 CZ ARG A 74 -15.071 6.965 5.258 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -14.025 7.758 5.059 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -16.113 7.096 4.445 1.00 0.00 N ATOM 0 H ARG A 74 -13.559 1.224 6.653 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.073 1.884 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.254 3.962 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.944 2.831 8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.580 4.087 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.601 3.849 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.263 5.981 8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.091 6.287 6.896 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.918 5.474 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.193 7.660 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.053 8.465 4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.919 6.479 4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.107 7.813 3.720 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.980 2.083 4.861 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.512 2.604 3.615 1.00 0.00 C ATOM 1160 C GLY A 75 -15.660 3.764 3.110 1.00 0.00 C ATOM 1161 O GLY A 75 -16.174 4.624 2.398 1.00 0.00 O ATOM 0 H GLY A 75 -15.514 1.180 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.539 1.813 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.539 2.938 3.763 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.389 3.841 3.523 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.525 4.983 3.287 1.00 0.00 C ATOM 1167 C GLY A 76 -12.412 4.701 2.302 1.00 0.00 C ATOM 1168 O GLY A 76 -11.674 5.626 1.987 1.00 0.00 O ATOM 0 H GLY A 76 -13.932 3.090 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.126 5.814 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.090 5.302 4.234 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.267 3.468 1.811 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.351 3.211 0.712 1.00 0.00 C ATOM 1174 C LEU A 77 -12.039 3.605 -0.587 1.00 0.00 C ATOM 1175 O LEU A 77 -11.457 4.320 -1.393 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.930 1.738 0.688 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.833 1.448 -0.346 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.526 2.117 0.086 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.604 -0.058 -0.473 1.00 0.00 C ATOM 0 H LEU A 77 -12.766 2.648 2.155 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.444 3.802 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.575 1.451 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.801 1.120 0.470 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.152 1.845 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.750 1.909 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.676 3.194 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.220 1.725 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.823 -0.246 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.297 -0.462 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.528 -0.541 -0.792 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.280 3.154 -0.772 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.054 3.328 -1.998 1.00 0.00 C ATOM 1193 C ASP A 78 -14.136 4.791 -2.458 1.00 0.00 C ATOM 1194 O ASP A 78 -13.785 5.050 -3.608 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.419 2.629 -1.869 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.629 3.409 -2.386 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.660 3.784 -3.580 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -17.628 3.488 -1.638 1.00 0.00 O ATOM 0 H ASP A 78 -13.788 2.643 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.520 2.834 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.370 1.680 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.586 2.395 -0.818 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.490 5.787 -1.624 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.518 7.165 -2.099 1.00 0.00 C ATOM 1205 C PRO A 79 -13.130 7.687 -2.473 1.00 0.00 C ATOM 1206 O PRO A 79 -13.017 8.522 -3.373 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.171 7.987 -0.985 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.961 7.137 0.268 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.998 5.707 -0.266 1.00 0.00 C ATOM 0 HA PRO A 79 -15.090 7.241 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.705 8.967 -0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.230 8.156 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.010 7.361 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.743 7.310 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.384 5.044 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.012 5.308 -0.249 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.061 7.186 -1.851 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.692 7.560 -2.192 1.00 0.00 C ATOM 1219 C LEU A 80 -10.189 6.814 -3.439 1.00 0.00 C ATOM 1220 O LEU A 80 -9.168 7.215 -4.002 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.755 7.294 -1.001 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.140 7.963 0.336 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.165 7.556 1.449 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.116 9.485 0.246 1.00 0.00 C ATOM 0 H LEU A 80 -12.124 6.506 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.690 8.626 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.702 6.217 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.753 7.626 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.152 7.626 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.456 8.039 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.191 6.474 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.155 7.866 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.394 9.911 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.113 9.818 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.824 9.816 -0.514 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.881 5.751 -3.874 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.513 4.856 -4.968 1.00 0.00 C ATOM 1238 C LEU A 81 -11.760 4.515 -5.787 1.00 0.00 C ATOM 1239 O LEU A 81 -12.124 5.299 -6.671 1.00 0.00 O ATOM 1240 CB LEU A 81 -9.810 3.594 -4.416 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.287 3.739 -4.342 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -7.749 2.771 -3.283 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.656 3.433 -5.709 1.00 0.00 C ATOM 0 H LEU A 81 -11.765 5.482 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.803 5.350 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.197 3.376 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.058 2.741 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.030 4.762 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.665 2.865 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.190 3.009 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.009 1.749 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.573 3.540 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.902 2.413 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.044 4.129 -6.453 1.00 0.00 H new