USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 842 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 68 LYS NZ :NH3+ -150:sc= 1.04 (180deg=-0.279!) USER MOD Set 1.2: A 69 TYR OH : rot -137:sc= 0.958 USER MOD Single : A 9 MET CE :methyl 167:sc= 0 (180deg=-0.195) USER MOD Single : A 10 THR OG1 : rot 73:sc= 0.914 USER MOD Single : A 12 GLN : amide:sc= -0.0657 K(o=-0.066,f=-0.63) USER MOD Single : A 13 MET CE :methyl -161:sc= -0.0952 (180deg=-0.467) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 1.03 (180deg=0.756) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0881 X(o=-0.088,f=-0.23) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.631) USER MOD Single : A 47 ASN : amide:sc= -2.59! K(o=-2.6!,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc=-0.00299 (180deg=-0.0697) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.13) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.2!) USER MOD Single : A 88 GLN : amide:sc= -5.94! C(o=-5.9!,f=-7!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0597 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.13) USER MOD Single : A 93 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-4.3!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= 0.64 (180deg=0.0359) USER MOD Single : A 103 THR OG1 : rot 69:sc= 1.29 USER MOD Single : A 105 SER OG : rot 76:sc= 0.83 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 87:sc= 1.12 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 138:sc= 1.21 (180deg=0.9) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -2.086 11.641 -9.340 1.00 0.00 N ATOM 82 CA LEU A 6 -1.388 10.905 -8.283 1.00 0.00 C ATOM 83 C LEU A 6 -2.372 10.266 -7.299 1.00 0.00 C ATOM 84 O LEU A 6 -2.044 9.284 -6.627 1.00 0.00 O ATOM 85 CB LEU A 6 -0.439 11.848 -7.534 1.00 0.00 C ATOM 86 CG LEU A 6 0.434 11.186 -6.464 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.387 10.180 -7.092 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.205 12.238 -5.681 1.00 0.00 C ATOM 0 HA LEU A 6 -0.816 10.104 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.212 12.334 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.031 12.632 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.218 10.651 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.997 9.722 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.814 9.408 -7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.033 10.689 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.820 11.750 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.844 12.802 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.504 12.917 -5.196 1.00 0.00 H new ATOM 100 N LEU A 7 -3.579 10.818 -7.224 1.00 0.00 N ATOM 101 CA LEU A 7 -4.589 10.303 -6.311 1.00 0.00 C ATOM 102 C LEU A 7 -4.972 8.878 -6.679 1.00 0.00 C ATOM 103 O LEU A 7 -4.996 8.005 -5.821 1.00 0.00 O ATOM 104 CB LEU A 7 -5.833 11.189 -6.313 1.00 0.00 C ATOM 105 CG LEU A 7 -6.860 10.856 -5.231 1.00 0.00 C ATOM 106 CD1 LEU A 7 -6.259 11.058 -3.851 1.00 0.00 C ATOM 107 CD2 LEU A 7 -8.108 11.702 -5.400 1.00 0.00 C ATOM 0 H LEU A 7 -3.879 11.618 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.160 10.307 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.523 12.227 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.315 11.112 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.143 9.808 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.003 10.817 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.394 10.406 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.949 12.097 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.827 11.450 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.845 12.757 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.550 11.508 -6.377 1.00 0.00 H new ATOM 119 N GLU A 8 -5.235 8.650 -7.967 1.00 0.00 N ATOM 120 CA GLU A 8 -5.656 7.341 -8.465 1.00 0.00 C ATOM 121 C GLU A 8 -4.698 6.242 -8.019 1.00 0.00 C ATOM 122 O GLU A 8 -5.118 5.157 -7.617 1.00 0.00 O ATOM 123 CB GLU A 8 -5.709 7.376 -9.992 1.00 0.00 C ATOM 124 CG GLU A 8 -6.739 8.342 -10.554 1.00 0.00 C ATOM 125 CD GLU A 8 -8.158 7.859 -10.353 1.00 0.00 C ATOM 126 OE1 GLU A 8 -8.668 7.129 -11.229 1.00 0.00 O ATOM 127 OE2 GLU A 8 -8.775 8.218 -9.336 1.00 0.00 O ATOM 0 H GLU A 8 -5.162 9.365 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.642 7.121 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.725 7.649 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.927 6.374 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.619 9.314 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.555 8.485 -11.619 1.00 0.00 H new ATOM 134 N MET A 9 -3.409 6.539 -8.095 1.00 0.00 N ATOM 135 CA MET A 9 -2.375 5.602 -7.680 1.00 0.00 C ATOM 136 C MET A 9 -2.536 5.234 -6.208 1.00 0.00 C ATOM 137 O MET A 9 -2.494 4.059 -5.842 1.00 0.00 O ATOM 138 CB MET A 9 -0.996 6.213 -7.924 1.00 0.00 C ATOM 139 CG MET A 9 -0.662 6.393 -9.397 1.00 0.00 C ATOM 140 SD MET A 9 0.684 7.566 -9.667 1.00 0.00 S ATOM 141 CE MET A 9 1.969 6.850 -8.649 1.00 0.00 C ATOM 0 H MET A 9 -3.052 7.429 -8.443 1.00 0.00 H new ATOM 0 HA MET A 9 -2.474 4.691 -8.270 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.944 7.182 -7.427 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.240 5.578 -7.463 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.389 5.428 -9.824 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.550 6.737 -9.928 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.924 7.319 -8.885 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.734 7.014 -7.597 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.033 5.779 -8.843 1.00 0.00 H new ATOM 151 N THR A 10 -2.754 6.241 -5.373 1.00 0.00 N ATOM 152 CA THR A 10 -2.910 6.034 -3.940 1.00 0.00 C ATOM 153 C THR A 10 -4.247 5.353 -3.630 1.00 0.00 C ATOM 154 O THR A 10 -4.327 4.494 -2.753 1.00 0.00 O ATOM 155 CB THR A 10 -2.821 7.374 -3.188 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.638 8.080 -3.597 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.789 7.158 -1.683 1.00 0.00 C ATOM 0 H THR A 10 -2.827 7.215 -5.666 1.00 0.00 H new ATOM 0 HA THR A 10 -2.101 5.385 -3.605 1.00 0.00 H new ATOM 0 HB THR A 10 -3.706 7.961 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.765 8.435 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.726 8.122 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.697 6.643 -1.370 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.921 6.554 -1.421 1.00 0.00 H new ATOM 165 N GLU A 11 -5.281 5.740 -4.371 1.00 0.00 N ATOM 166 CA GLU A 11 -6.612 5.159 -4.223 1.00 0.00 C ATOM 167 C GLU A 11 -6.564 3.643 -4.410 1.00 0.00 C ATOM 168 O GLU A 11 -7.163 2.888 -3.637 1.00 0.00 O ATOM 169 CB GLU A 11 -7.574 5.787 -5.242 1.00 0.00 C ATOM 170 CG GLU A 11 -7.859 7.263 -4.995 1.00 0.00 C ATOM 171 CD GLU A 11 -8.601 7.512 -3.698 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.843 7.403 -3.694 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.953 7.833 -2.676 1.00 0.00 O ATOM 0 H GLU A 11 -5.221 6.462 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.972 5.369 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.155 5.670 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.515 5.238 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.917 7.812 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.445 7.658 -5.825 1.00 0.00 H new ATOM 180 N GLN A 12 -5.830 3.206 -5.429 1.00 0.00 N ATOM 181 CA GLN A 12 -5.659 1.783 -5.691 1.00 0.00 C ATOM 182 C GLN A 12 -4.891 1.124 -4.549 1.00 0.00 C ATOM 183 O GLN A 12 -5.266 0.051 -4.080 1.00 0.00 O ATOM 184 CB GLN A 12 -4.923 1.567 -7.019 1.00 0.00 C ATOM 185 CG GLN A 12 -4.820 0.106 -7.425 1.00 0.00 C ATOM 186 CD GLN A 12 -6.172 -0.521 -7.721 1.00 0.00 C ATOM 187 OE1 GLN A 12 -7.093 0.145 -8.196 1.00 0.00 O ATOM 188 NE2 GLN A 12 -6.300 -1.807 -7.436 1.00 0.00 N ATOM 0 H GLN A 12 -5.345 3.817 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.645 1.323 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.439 2.119 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.920 1.986 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.185 0.023 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.332 -0.454 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.513 -2.323 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.186 -2.282 -7.609 1.00 0.00 H new ATOM 197 N MET A 13 -3.823 1.785 -4.100 1.00 0.00 N ATOM 198 CA MET A 13 -2.998 1.284 -2.998 1.00 0.00 C ATOM 199 C MET A 13 -3.853 1.004 -1.761 1.00 0.00 C ATOM 200 O MET A 13 -3.705 -0.033 -1.104 1.00 0.00 O ATOM 201 CB MET A 13 -1.908 2.305 -2.643 1.00 0.00 C ATOM 202 CG MET A 13 -0.868 2.508 -3.735 1.00 0.00 C ATOM 203 SD MET A 13 0.367 1.195 -3.787 1.00 0.00 S ATOM 204 CE MET A 13 1.287 1.544 -2.287 1.00 0.00 C ATOM 0 H MET A 13 -3.507 2.675 -4.485 1.00 0.00 H new ATOM 0 HA MET A 13 -2.533 0.353 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.380 3.263 -2.423 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.404 1.981 -1.732 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.370 2.565 -4.701 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.368 3.464 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.262 1.059 -2.337 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.422 2.621 -2.185 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.737 1.164 -1.426 1.00 0.00 H new ATOM 214 N ILE A 14 -4.753 1.938 -1.460 1.00 0.00 N ATOM 215 CA ILE A 14 -5.635 1.833 -0.305 1.00 0.00 C ATOM 216 C ILE A 14 -6.505 0.582 -0.382 1.00 0.00 C ATOM 217 O ILE A 14 -6.533 -0.222 0.553 1.00 0.00 O ATOM 218 CB ILE A 14 -6.528 3.089 -0.174 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.661 4.324 0.088 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.556 2.905 0.939 1.00 0.00 C ATOM 221 CD1 ILE A 14 -6.443 5.615 0.165 1.00 0.00 C ATOM 0 H ILE A 14 -4.889 2.786 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.003 1.758 0.580 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.067 3.234 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.118 4.183 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.917 4.408 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.174 3.800 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.187 2.046 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.042 2.738 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.760 6.443 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.965 5.781 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.169 5.553 0.976 1.00 0.00 H new ATOM 233 N GLU A 15 -7.188 0.403 -1.510 1.00 0.00 N ATOM 234 CA GLU A 15 -8.112 -0.714 -1.660 1.00 0.00 C ATOM 235 C GLU A 15 -7.372 -2.051 -1.653 1.00 0.00 C ATOM 236 O GLU A 15 -7.892 -3.042 -1.151 1.00 0.00 O ATOM 237 CB GLU A 15 -8.932 -0.596 -2.947 1.00 0.00 C ATOM 238 CG GLU A 15 -10.084 -1.588 -3.000 1.00 0.00 C ATOM 239 CD GLU A 15 -10.676 -1.746 -4.383 1.00 0.00 C ATOM 240 OE1 GLU A 15 -11.606 -0.989 -4.730 1.00 0.00 O ATOM 241 OE2 GLU A 15 -10.223 -2.647 -5.121 1.00 0.00 O ATOM 0 H GLU A 15 -7.119 1.012 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.790 -0.677 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.326 0.417 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.279 -0.757 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.734 -2.559 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.865 -1.263 -2.313 1.00 0.00 H new ATOM 248 N VAL A 16 -6.164 -2.082 -2.217 1.00 0.00 N ATOM 249 CA VAL A 16 -5.371 -3.311 -2.257 1.00 0.00 C ATOM 250 C VAL A 16 -5.097 -3.830 -0.848 1.00 0.00 C ATOM 251 O VAL A 16 -5.281 -5.016 -0.568 1.00 0.00 O ATOM 252 CB VAL A 16 -4.033 -3.113 -3.007 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.151 -4.346 -2.869 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.283 -2.814 -4.480 1.00 0.00 C ATOM 0 H VAL A 16 -5.715 -1.275 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.961 -4.047 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.518 -2.263 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.215 -4.185 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.940 -4.526 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.665 -5.210 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.330 -2.678 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.822 -3.646 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.876 -1.904 -4.571 1.00 0.00 H new ATOM 264 N ALA A 17 -4.690 -2.931 0.037 1.00 0.00 N ATOM 265 CA ALA A 17 -4.412 -3.297 1.420 1.00 0.00 C ATOM 266 C ALA A 17 -5.659 -3.859 2.095 1.00 0.00 C ATOM 267 O ALA A 17 -5.617 -4.929 2.705 1.00 0.00 O ATOM 268 CB ALA A 17 -3.883 -2.100 2.193 1.00 0.00 C ATOM 0 H ALA A 17 -4.545 -1.944 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.647 -4.073 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.681 -2.393 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.962 -1.746 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.626 -1.302 2.181 1.00 0.00 H new ATOM 274 N GLU A 18 -6.768 -3.137 1.970 1.00 0.00 N ATOM 275 CA GLU A 18 -8.040 -3.571 2.524 1.00 0.00 C ATOM 276 C GLU A 18 -8.520 -4.878 1.891 1.00 0.00 C ATOM 277 O GLU A 18 -9.121 -5.716 2.564 1.00 0.00 O ATOM 278 CB GLU A 18 -9.080 -2.470 2.342 1.00 0.00 C ATOM 279 CG GLU A 18 -8.920 -1.328 3.329 1.00 0.00 C ATOM 280 CD GLU A 18 -10.048 -0.323 3.249 1.00 0.00 C ATOM 281 OE1 GLU A 18 -11.202 -0.693 3.553 1.00 0.00 O ATOM 282 OE2 GLU A 18 -9.782 0.849 2.918 1.00 0.00 O ATOM 0 H GLU A 18 -6.808 -2.241 1.485 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.900 -3.764 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.010 -2.077 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.076 -2.899 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.870 -1.732 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.974 -0.821 3.141 1.00 0.00 H new ATOM 289 N LYS A 19 -8.256 -5.044 0.600 1.00 0.00 N ATOM 290 CA LYS A 19 -8.609 -6.267 -0.111 1.00 0.00 C ATOM 291 C LYS A 19 -7.837 -7.454 0.450 1.00 0.00 C ATOM 292 O LYS A 19 -8.414 -8.510 0.720 1.00 0.00 O ATOM 293 CB LYS A 19 -8.306 -6.121 -1.601 1.00 0.00 C ATOM 294 CG LYS A 19 -9.512 -6.324 -2.499 1.00 0.00 C ATOM 295 CD LYS A 19 -10.568 -5.253 -2.274 1.00 0.00 C ATOM 296 CE LYS A 19 -11.695 -5.353 -3.294 1.00 0.00 C ATOM 297 NZ LYS A 19 -11.194 -5.178 -4.684 1.00 0.00 N ATOM 0 H LYS A 19 -7.796 -4.342 0.021 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.676 -6.442 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.894 -5.128 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.535 -6.841 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.196 -6.309 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.945 -7.307 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.977 -5.350 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.106 -4.267 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.184 -6.323 -3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.448 -4.595 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.000 -5.099 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.618 -4.314 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.613 -5.999 -4.949 1.00 0.00 H new ATOM 311 N GLY A 20 -6.528 -7.268 0.617 1.00 0.00 N ATOM 312 CA GLY A 20 -5.691 -8.309 1.183 1.00 0.00 C ATOM 313 C GLY A 20 -6.111 -8.677 2.590 1.00 0.00 C ATOM 314 O GLY A 20 -6.182 -9.858 2.937 1.00 0.00 O ATOM 0 H GLY A 20 -6.033 -6.411 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.736 -9.194 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.654 -7.975 1.191 1.00 0.00 H new ATOM 318 N ALA A 21 -6.398 -7.659 3.396 1.00 0.00 N ATOM 319 CA ALA A 21 -6.879 -7.865 4.757 1.00 0.00 C ATOM 320 C ALA A 21 -8.177 -8.659 4.751 1.00 0.00 C ATOM 321 O ALA A 21 -8.330 -9.618 5.505 1.00 0.00 O ATOM 322 CB ALA A 21 -7.078 -6.528 5.459 1.00 0.00 C ATOM 0 H ALA A 21 -6.305 -6.679 3.128 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.129 -8.436 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.437 -6.700 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.130 -5.992 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.810 -5.935 4.911 1.00 0.00 H new ATOM 328 N ASP A 22 -9.095 -8.256 3.881 1.00 0.00 N ATOM 329 CA ASP A 22 -10.385 -8.928 3.743 1.00 0.00 C ATOM 330 C ASP A 22 -10.206 -10.391 3.378 1.00 0.00 C ATOM 331 O ASP A 22 -10.803 -11.271 3.994 1.00 0.00 O ATOM 332 CB ASP A 22 -11.227 -8.242 2.667 1.00 0.00 C ATOM 333 CG ASP A 22 -12.488 -9.016 2.330 1.00 0.00 C ATOM 334 OD1 ASP A 22 -12.439 -9.879 1.429 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.536 -8.753 2.955 1.00 0.00 O ATOM 0 H ASP A 22 -8.970 -7.461 3.255 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.894 -8.866 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.499 -7.242 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.628 -8.121 1.765 1.00 0.00 H new ATOM 340 N ARG A 23 -9.368 -10.640 2.382 1.00 0.00 N ATOM 341 CA ARG A 23 -9.167 -11.983 1.856 1.00 0.00 C ATOM 342 C ARG A 23 -8.678 -12.928 2.950 1.00 0.00 C ATOM 343 O ARG A 23 -9.158 -14.058 3.066 1.00 0.00 O ATOM 344 CB ARG A 23 -8.163 -11.944 0.704 1.00 0.00 C ATOM 345 CG ARG A 23 -8.401 -13.007 -0.357 1.00 0.00 C ATOM 346 CD ARG A 23 -9.750 -12.820 -1.036 1.00 0.00 C ATOM 347 NE ARG A 23 -9.910 -13.690 -2.201 1.00 0.00 N ATOM 348 CZ ARG A 23 -11.071 -13.905 -2.822 1.00 0.00 C ATOM 349 NH1 ARG A 23 -12.187 -13.340 -2.378 1.00 0.00 N ATOM 350 NH2 ARG A 23 -11.122 -14.693 -3.891 1.00 0.00 N ATOM 0 H ARG A 23 -8.811 -9.922 1.918 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.122 -12.357 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.202 -10.961 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.158 -12.066 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.607 -12.963 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.355 -13.996 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.546 -13.025 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.858 -11.780 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.081 -14.162 -2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.161 -12.736 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.071 -13.510 -2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.272 -15.136 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.011 -14.855 -4.363 1.00 0.00 H new ATOM 364 N TYR A 24 -7.737 -12.447 3.755 1.00 0.00 N ATOM 365 CA TYR A 24 -7.164 -13.239 4.837 1.00 0.00 C ATOM 366 C TYR A 24 -8.140 -13.351 6.009 1.00 0.00 C ATOM 367 O TYR A 24 -8.283 -14.418 6.605 1.00 0.00 O ATOM 368 CB TYR A 24 -5.844 -12.612 5.302 1.00 0.00 C ATOM 369 CG TYR A 24 -5.180 -13.353 6.446 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.501 -14.546 6.226 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.239 -12.863 7.745 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.901 -15.228 7.268 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.642 -13.541 8.791 1.00 0.00 C ATOM 374 CZ TYR A 24 -3.975 -14.722 8.546 1.00 0.00 C ATOM 375 OH TYR A 24 -3.383 -15.402 9.586 1.00 0.00 O ATOM 0 H TYR A 24 -7.353 -11.505 3.677 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.969 -14.244 4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.155 -12.574 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.030 -11.583 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.441 -14.946 5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.760 -11.937 7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.377 -16.153 7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.698 -13.147 9.795 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.526 -14.911 10.422 1.00 0.00 H new ATOM 385 N GLN A 25 -8.805 -12.246 6.330 1.00 0.00 N ATOM 386 CA GLN A 25 -9.753 -12.204 7.442 1.00 0.00 C ATOM 387 C GLN A 25 -10.918 -13.149 7.163 1.00 0.00 C ATOM 388 O GLN A 25 -11.379 -13.869 8.049 1.00 0.00 O ATOM 389 CB GLN A 25 -10.269 -10.771 7.635 1.00 0.00 C ATOM 390 CG GLN A 25 -10.547 -10.379 9.083 1.00 0.00 C ATOM 391 CD GLN A 25 -11.652 -11.192 9.727 1.00 0.00 C ATOM 392 OE1 GLN A 25 -11.400 -12.219 10.355 1.00 0.00 O ATOM 393 NE2 GLN A 25 -12.886 -10.738 9.576 1.00 0.00 N ATOM 0 H GLN A 25 -8.705 -11.361 5.833 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.249 -12.522 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.537 -10.078 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.186 -10.650 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.633 -10.497 9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.814 -9.323 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.053 -9.882 9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.670 -11.244 9.988 1.00 0.00 H new ATOM 635 N LYS A 41 1.501 -14.571 -7.881 1.00 0.00 N ATOM 636 CA LYS A 41 2.473 -13.888 -8.737 1.00 0.00 C ATOM 637 C LYS A 41 1.920 -12.614 -9.404 1.00 0.00 C ATOM 638 O LYS A 41 2.514 -11.547 -9.241 1.00 0.00 O ATOM 639 CB LYS A 41 3.002 -14.876 -9.786 1.00 0.00 C ATOM 640 CG LYS A 41 3.825 -14.241 -10.893 1.00 0.00 C ATOM 641 CD LYS A 41 4.322 -15.287 -11.876 1.00 0.00 C ATOM 642 CE LYS A 41 4.847 -14.648 -13.151 1.00 0.00 C ATOM 643 NZ LYS A 41 3.785 -13.906 -13.881 1.00 0.00 N ATOM 0 HA LYS A 41 3.288 -13.548 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.611 -15.628 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.156 -15.398 -10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.222 -13.501 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.674 -13.712 -10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.112 -15.878 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.511 -15.974 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.662 -13.967 -12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.261 -15.420 -13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.004 -13.897 -14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.868 -14.373 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.739 -12.929 -13.528 1.00 0.00 H new ATOM 657 N PRO A 42 0.783 -12.681 -10.141 1.00 0.00 N ATOM 658 CA PRO A 42 0.258 -11.518 -10.878 1.00 0.00 C ATOM 659 C PRO A 42 0.019 -10.299 -9.988 1.00 0.00 C ATOM 660 O PRO A 42 0.306 -9.168 -10.382 1.00 0.00 O ATOM 661 CB PRO A 42 -1.069 -12.019 -11.449 1.00 0.00 C ATOM 662 CG PRO A 42 -0.924 -13.498 -11.510 1.00 0.00 C ATOM 663 CD PRO A 42 -0.077 -13.869 -10.329 1.00 0.00 C ATOM 0 HA PRO A 42 0.968 -11.179 -11.632 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.907 -11.730 -10.814 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.258 -11.599 -12.437 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.896 -13.989 -11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.453 -13.808 -12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.684 -14.070 -9.446 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.512 -14.766 -10.522 1.00 0.00 H new ATOM 671 N ALA A 43 -0.496 -10.531 -8.786 1.00 0.00 N ATOM 672 CA ALA A 43 -0.792 -9.444 -7.863 1.00 0.00 C ATOM 673 C ALA A 43 0.492 -8.840 -7.317 1.00 0.00 C ATOM 674 O ALA A 43 0.615 -7.621 -7.203 1.00 0.00 O ATOM 675 CB ALA A 43 -1.678 -9.935 -6.726 1.00 0.00 C ATOM 0 H ALA A 43 -0.717 -11.461 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.330 -8.668 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.889 -9.109 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.614 -10.318 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.166 -10.730 -6.183 1.00 0.00 H new ATOM 681 N VAL A 44 1.455 -9.701 -7.000 1.00 0.00 N ATOM 682 CA VAL A 44 2.741 -9.249 -6.486 1.00 0.00 C ATOM 683 C VAL A 44 3.430 -8.343 -7.498 1.00 0.00 C ATOM 684 O VAL A 44 3.968 -7.300 -7.135 1.00 0.00 O ATOM 685 CB VAL A 44 3.667 -10.438 -6.140 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.021 -9.953 -5.641 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.015 -11.337 -5.104 1.00 0.00 C ATOM 0 H VAL A 44 1.368 -10.713 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 44 2.547 -8.690 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 44 3.828 -11.013 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.651 -10.811 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.500 -9.353 -6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.883 -9.348 -4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.681 -12.168 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.820 -10.765 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.075 -11.724 -5.498 1.00 0.00 H new ATOM 697 N GLU A 45 3.388 -8.738 -8.768 1.00 0.00 N ATOM 698 CA GLU A 45 3.971 -7.953 -9.847 1.00 0.00 C ATOM 699 C GLU A 45 3.414 -6.532 -9.854 1.00 0.00 C ATOM 700 O GLU A 45 4.168 -5.554 -9.877 1.00 0.00 O ATOM 701 CB GLU A 45 3.678 -8.616 -11.189 1.00 0.00 C ATOM 702 CG GLU A 45 4.304 -9.988 -11.355 1.00 0.00 C ATOM 703 CD GLU A 45 3.949 -10.616 -12.685 1.00 0.00 C ATOM 704 OE1 GLU A 45 4.398 -10.100 -13.726 1.00 0.00 O ATOM 705 OE2 GLU A 45 3.210 -11.621 -12.700 1.00 0.00 O ATOM 0 H GLU A 45 2.951 -9.607 -9.075 1.00 0.00 H new ATOM 0 HA GLU A 45 5.048 -7.905 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.598 -8.705 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.036 -7.967 -11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.388 -9.905 -11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.971 -10.639 -10.546 1.00 0.00 H new ATOM 712 N GLU A 46 2.092 -6.433 -9.826 1.00 0.00 N ATOM 713 CA GLU A 46 1.406 -5.162 -9.850 1.00 0.00 C ATOM 714 C GLU A 46 1.762 -4.318 -8.630 1.00 0.00 C ATOM 715 O GLU A 46 2.146 -3.154 -8.754 1.00 0.00 O ATOM 716 CB GLU A 46 -0.092 -5.417 -9.890 1.00 0.00 C ATOM 717 CG GLU A 46 -0.574 -6.083 -11.171 1.00 0.00 C ATOM 718 CD GLU A 46 -0.054 -5.412 -12.432 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.185 -4.177 -12.559 1.00 0.00 O ATOM 720 OE2 GLU A 46 0.491 -6.125 -13.302 1.00 0.00 O ATOM 0 H GLU A 46 1.469 -7.239 -9.786 1.00 0.00 H new ATOM 0 HA GLU A 46 1.717 -4.608 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.366 -6.044 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.615 -4.468 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.262 -7.127 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.664 -6.076 -11.188 1.00 0.00 H new ATOM 727 N ASN A 47 1.632 -4.918 -7.456 1.00 0.00 N ATOM 728 CA ASN A 47 1.920 -4.230 -6.199 1.00 0.00 C ATOM 729 C ASN A 47 3.380 -3.791 -6.133 1.00 0.00 C ATOM 730 O ASN A 47 3.682 -2.699 -5.652 1.00 0.00 O ATOM 731 CB ASN A 47 1.581 -5.128 -5.002 1.00 0.00 C ATOM 732 CG ASN A 47 0.089 -5.387 -4.867 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.330 -6.442 -4.397 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.725 -4.420 -5.271 1.00 0.00 N ATOM 0 H ASN A 47 1.327 -5.885 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 47 1.295 -3.338 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.103 -6.079 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.949 -4.662 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.735 -4.539 -5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.340 -3.557 -5.656 1.00 0.00 H new ATOM 741 N ASP A 48 4.275 -4.640 -6.629 1.00 0.00 N ATOM 742 CA ASP A 48 5.709 -4.338 -6.662 1.00 0.00 C ATOM 743 C ASP A 48 5.979 -3.077 -7.478 1.00 0.00 C ATOM 744 O ASP A 48 6.752 -2.209 -7.067 1.00 0.00 O ATOM 745 CB ASP A 48 6.480 -5.529 -7.246 1.00 0.00 C ATOM 746 CG ASP A 48 7.970 -5.275 -7.372 1.00 0.00 C ATOM 747 OD1 ASP A 48 8.691 -5.388 -6.354 1.00 0.00 O ATOM 748 OD2 ASP A 48 8.431 -4.984 -8.495 1.00 0.00 O ATOM 0 H ASP A 48 4.033 -5.551 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 48 6.050 -4.160 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.319 -6.402 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.075 -5.769 -8.229 1.00 0.00 H new ATOM 753 N GLU A 49 5.326 -2.983 -8.633 1.00 0.00 N ATOM 754 CA GLU A 49 5.415 -1.796 -9.477 1.00 0.00 C ATOM 755 C GLU A 49 4.842 -0.575 -8.767 1.00 0.00 C ATOM 756 O GLU A 49 5.478 0.480 -8.708 1.00 0.00 O ATOM 757 CB GLU A 49 4.665 -2.036 -10.779 1.00 0.00 C ATOM 758 CG GLU A 49 5.399 -2.960 -11.721 1.00 0.00 C ATOM 759 CD GLU A 49 6.569 -2.276 -12.391 1.00 0.00 C ATOM 760 OE1 GLU A 49 6.331 -1.409 -13.257 1.00 0.00 O ATOM 761 OE2 GLU A 49 7.730 -2.595 -12.052 1.00 0.00 O ATOM 0 H GLU A 49 4.727 -3.719 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 49 6.466 -1.604 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.685 -2.458 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.495 -1.081 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.755 -3.830 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.709 -3.325 -12.482 1.00 0.00 H new ATOM 768 N LEU A 50 3.641 -0.740 -8.223 1.00 0.00 N ATOM 769 CA LEU A 50 2.940 0.338 -7.544 1.00 0.00 C ATOM 770 C LEU A 50 3.762 0.901 -6.393 1.00 0.00 C ATOM 771 O LEU A 50 4.001 2.105 -6.329 1.00 0.00 O ATOM 772 CB LEU A 50 1.594 -0.170 -7.021 1.00 0.00 C ATOM 773 CG LEU A 50 0.366 0.381 -7.745 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.396 0.003 -9.218 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.908 -0.125 -7.086 1.00 0.00 C ATOM 0 H LEU A 50 3.130 -1.622 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 50 2.777 1.140 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.581 -1.258 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.515 0.080 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 50 0.383 1.469 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.487 0.405 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.292 0.415 -9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.404 -1.083 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.774 0.276 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.931 -1.214 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.933 0.200 -6.046 1.00 0.00 H new ATOM 787 N ALA A 51 4.208 0.024 -5.503 1.00 0.00 N ATOM 788 CA ALA A 51 4.966 0.434 -4.324 1.00 0.00 C ATOM 789 C ALA A 51 6.237 1.186 -4.713 1.00 0.00 C ATOM 790 O ALA A 51 6.647 2.126 -4.027 1.00 0.00 O ATOM 791 CB ALA A 51 5.313 -0.776 -3.470 1.00 0.00 C ATOM 0 H ALA A 51 4.058 -0.982 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 51 4.339 1.111 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.878 -0.454 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.396 -1.269 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.914 -1.473 -4.054 1.00 0.00 H new ATOM 797 N ALA A 52 6.846 0.781 -5.819 1.00 0.00 N ATOM 798 CA ALA A 52 8.076 1.408 -6.280 1.00 0.00 C ATOM 799 C ALA A 52 7.823 2.839 -6.747 1.00 0.00 C ATOM 800 O ALA A 52 8.407 3.786 -6.220 1.00 0.00 O ATOM 801 CB ALA A 52 8.707 0.587 -7.396 1.00 0.00 C ATOM 0 H ALA A 52 6.509 0.023 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 52 8.770 1.446 -5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.626 1.070 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.936 -0.413 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.012 0.515 -8.232 1.00 0.00 H new ATOM 807 N ARG A 53 6.924 2.993 -7.715 1.00 0.00 N ATOM 808 CA ARG A 53 6.660 4.288 -8.309 1.00 0.00 C ATOM 809 C ARG A 53 5.918 5.209 -7.342 1.00 0.00 C ATOM 810 O ARG A 53 6.103 6.424 -7.379 1.00 0.00 O ATOM 811 CB ARG A 53 5.865 4.102 -9.600 1.00 0.00 C ATOM 812 CG ARG A 53 6.302 5.037 -10.710 1.00 0.00 C ATOM 813 CD ARG A 53 5.736 6.436 -10.528 1.00 0.00 C ATOM 814 NE ARG A 53 6.629 7.469 -11.061 1.00 0.00 N ATOM 815 CZ ARG A 53 6.236 8.689 -11.420 1.00 0.00 C ATOM 816 NH1 ARG A 53 4.946 8.997 -11.461 1.00 0.00 N ATOM 817 NH2 ARG A 53 7.136 9.589 -11.784 1.00 0.00 N ATOM 0 H ARG A 53 6.367 2.231 -8.102 1.00 0.00 H new ATOM 0 HA ARG A 53 7.613 4.765 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.971 3.071 -9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.807 4.263 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.391 5.086 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.978 4.636 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.769 6.502 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.562 6.620 -9.468 1.00 0.00 H new ATOM 0 HE ARG A 53 7.617 7.238 -11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.246 8.296 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.654 9.934 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.127 9.347 -11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.839 10.525 -12.060 1.00 0.00 H new ATOM 831 N TRP A 54 5.090 4.637 -6.475 1.00 0.00 N ATOM 832 CA TRP A 54 4.366 5.433 -5.489 1.00 0.00 C ATOM 833 C TRP A 54 5.345 6.094 -4.521 1.00 0.00 C ATOM 834 O TRP A 54 5.207 7.272 -4.192 1.00 0.00 O ATOM 835 CB TRP A 54 3.358 4.578 -4.713 1.00 0.00 C ATOM 836 CG TRP A 54 2.463 5.385 -3.820 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.319 6.036 -4.185 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.639 5.635 -2.418 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.774 6.676 -3.100 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.566 6.446 -2.003 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.600 5.254 -1.476 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.428 6.881 -0.686 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.462 5.684 -0.171 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.384 6.491 0.214 1.00 0.00 C ATOM 0 H TRP A 54 4.904 3.635 -6.434 1.00 0.00 H new ATOM 0 HA TRP A 54 3.814 6.205 -6.024 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.746 4.018 -5.420 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.898 3.848 -4.111 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.904 6.046 -5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.081 7.232 -3.108 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.436 4.634 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.598 7.503 -0.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.197 5.393 0.565 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.305 6.812 1.242 1.00 0.00 H new ATOM 855 N ALA A 55 6.345 5.335 -4.085 1.00 0.00 N ATOM 856 CA ALA A 55 7.364 5.856 -3.182 1.00 0.00 C ATOM 857 C ALA A 55 8.141 6.983 -3.850 1.00 0.00 C ATOM 858 O ALA A 55 8.386 8.025 -3.243 1.00 0.00 O ATOM 859 CB ALA A 55 8.304 4.745 -2.744 1.00 0.00 C ATOM 0 H ALA A 55 6.471 4.356 -4.343 1.00 0.00 H new ATOM 0 HA ALA A 55 6.870 6.257 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.058 5.151 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.736 3.970 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.792 4.315 -3.619 1.00 0.00 H new ATOM 865 N GLU A 56 8.505 6.776 -5.113 1.00 0.00 N ATOM 866 CA GLU A 56 9.209 7.776 -5.886 1.00 0.00 C ATOM 867 C GLU A 56 8.347 9.023 -6.082 1.00 0.00 C ATOM 868 O GLU A 56 8.859 10.144 -6.122 1.00 0.00 O ATOM 869 CB GLU A 56 9.604 7.173 -7.227 1.00 0.00 C ATOM 870 CG GLU A 56 10.733 6.161 -7.121 1.00 0.00 C ATOM 871 CD GLU A 56 11.070 5.510 -8.447 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.614 6.199 -9.335 1.00 0.00 O ATOM 873 OE2 GLU A 56 10.799 4.302 -8.604 1.00 0.00 O ATOM 0 H GLU A 56 8.318 5.912 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 56 10.106 8.084 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.733 6.691 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.905 7.973 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.622 6.656 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.455 5.389 -6.403 1.00 0.00 H new ATOM 880 N GLY A 57 7.039 8.816 -6.203 1.00 0.00 N ATOM 881 CA GLY A 57 6.111 9.926 -6.303 1.00 0.00 C ATOM 882 C GLY A 57 5.998 10.683 -4.997 1.00 0.00 C ATOM 883 O GLY A 57 5.996 11.911 -4.979 1.00 0.00 O ATOM 0 H GLY A 57 6.604 7.894 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.440 10.605 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.129 9.554 -6.594 1.00 0.00 H new ATOM 887 N ALA A 58 5.906 9.947 -3.895 1.00 0.00 N ATOM 888 CA ALA A 58 5.854 10.553 -2.571 1.00 0.00 C ATOM 889 C ALA A 58 7.136 11.335 -2.291 1.00 0.00 C ATOM 890 O ALA A 58 7.098 12.444 -1.758 1.00 0.00 O ATOM 891 CB ALA A 58 5.639 9.487 -1.508 1.00 0.00 C ATOM 0 H ALA A 58 5.866 8.928 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 58 5.013 11.246 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.603 9.956 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.699 8.968 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.461 8.772 -1.539 1.00 0.00 H new ATOM 897 N LEU A 59 8.269 10.744 -2.671 1.00 0.00 N ATOM 898 CA LEU A 59 9.565 11.383 -2.539 1.00 0.00 C ATOM 899 C LEU A 59 9.617 12.680 -3.333 1.00 0.00 C ATOM 900 O LEU A 59 10.249 13.649 -2.917 1.00 0.00 O ATOM 901 CB LEU A 59 10.654 10.436 -3.029 1.00 0.00 C ATOM 902 CG LEU A 59 11.007 9.290 -2.081 1.00 0.00 C ATOM 903 CD1 LEU A 59 12.034 8.372 -2.722 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.527 9.833 -0.758 1.00 0.00 C ATOM 0 H LEU A 59 8.307 9.809 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 59 9.728 11.619 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.340 10.012 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.556 11.017 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 59 10.104 8.713 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.276 7.561 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.626 7.958 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.938 8.938 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.773 9.003 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.420 10.432 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.761 10.453 -0.293 1.00 0.00 H new ATOM 916 N GLU A 60 8.951 12.678 -4.478 1.00 0.00 N ATOM 917 CA GLU A 60 8.864 13.853 -5.335 1.00 0.00 C ATOM 918 C GLU A 60 8.163 15.003 -4.611 1.00 0.00 C ATOM 919 O GLU A 60 8.631 16.142 -4.636 1.00 0.00 O ATOM 920 CB GLU A 60 8.112 13.490 -6.620 1.00 0.00 C ATOM 921 CG GLU A 60 8.024 14.614 -7.638 1.00 0.00 C ATOM 922 CD GLU A 60 9.378 15.090 -8.117 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.284 14.248 -8.296 1.00 0.00 O ATOM 924 OE2 GLU A 60 9.535 16.310 -8.328 1.00 0.00 O ATOM 0 H GLU A 60 8.456 11.863 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 60 9.872 14.183 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.603 12.635 -7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.102 13.174 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.441 14.275 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.486 15.453 -7.198 1.00 0.00 H new ATOM 931 N LEU A 61 7.053 14.696 -3.949 1.00 0.00 N ATOM 932 CA LEU A 61 6.276 15.712 -3.242 1.00 0.00 C ATOM 933 C LEU A 61 7.035 16.261 -2.038 1.00 0.00 C ATOM 934 O LEU A 61 7.080 17.475 -1.831 1.00 0.00 O ATOM 935 CB LEU A 61 4.919 15.150 -2.798 1.00 0.00 C ATOM 936 CG LEU A 61 3.787 15.265 -3.830 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.515 16.725 -4.165 1.00 0.00 C ATOM 938 CD2 LEU A 61 4.114 14.481 -5.095 1.00 0.00 C ATOM 0 H LEU A 61 6.670 13.753 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 61 6.106 16.533 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.047 14.099 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.612 15.666 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 61 2.888 14.835 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.710 16.786 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.223 17.258 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.417 17.178 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.295 14.581 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.030 14.872 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.252 13.429 -4.846 1.00 0.00 H new ATOM 950 N ILE A 62 7.648 15.377 -1.255 1.00 0.00 N ATOM 951 CA ILE A 62 8.390 15.806 -0.069 1.00 0.00 C ATOM 952 C ILE A 62 9.737 16.413 -0.459 1.00 0.00 C ATOM 953 O ILE A 62 10.473 16.924 0.386 1.00 0.00 O ATOM 954 CB ILE A 62 8.613 14.651 0.935 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.476 13.547 0.318 1.00 0.00 C ATOM 956 CG2 ILE A 62 7.273 14.090 1.390 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.817 12.431 1.286 1.00 0.00 C ATOM 0 H ILE A 62 7.647 14.370 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 62 7.779 16.563 0.422 1.00 0.00 H new ATOM 0 HB ILE A 62 9.143 15.045 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.953 13.125 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.400 13.987 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.440 13.277 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.694 14.877 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.724 13.713 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.430 11.685 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.368 12.840 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.898 11.965 1.642 1.00 0.00 H new ATOM 969 N LYS A 63 10.061 16.325 -1.741 1.00 0.00 N ATOM 970 CA LYS A 63 11.226 17.003 -2.288 1.00 0.00 C ATOM 971 C LYS A 63 10.869 18.461 -2.570 1.00 0.00 C ATOM 972 O LYS A 63 11.653 19.374 -2.301 1.00 0.00 O ATOM 973 CB LYS A 63 11.693 16.280 -3.565 1.00 0.00 C ATOM 974 CG LYS A 63 12.964 16.833 -4.202 1.00 0.00 C ATOM 975 CD LYS A 63 12.674 18.008 -5.123 1.00 0.00 C ATOM 976 CE LYS A 63 13.917 18.467 -5.869 1.00 0.00 C ATOM 977 NZ LYS A 63 14.999 18.897 -4.947 1.00 0.00 N ATOM 0 H LYS A 63 9.529 15.787 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 63 12.047 16.982 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.853 15.228 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.890 16.323 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.655 17.147 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.460 16.043 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.904 17.725 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.275 18.837 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.281 17.655 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.657 19.293 -6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.779 19.311 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.628 19.606 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.349 18.075 -4.415 1.00 0.00 H new ATOM 991 N VAL A 64 9.665 18.668 -3.095 1.00 0.00 N ATOM 992 CA VAL A 64 9.183 20.003 -3.427 1.00 0.00 C ATOM 993 C VAL A 64 8.814 20.781 -2.170 1.00 0.00 C ATOM 994 O VAL A 64 9.252 21.918 -1.980 1.00 0.00 O ATOM 995 CB VAL A 64 7.951 19.936 -4.358 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.394 21.326 -4.639 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.301 19.224 -5.655 1.00 0.00 C ATOM 0 H VAL A 64 9.001 17.921 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 64 9.994 20.517 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 64 7.175 19.365 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.528 21.245 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.095 21.795 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.160 21.934 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.422 19.186 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.099 19.765 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.633 18.210 -5.435 1.00 0.00 H new ATOM 1007 N ARG A 65 8.012 20.168 -1.312 1.00 0.00 N ATOM 1008 CA ARG A 65 7.551 20.825 -0.094 1.00 0.00 C ATOM 1009 C ARG A 65 8.099 20.139 1.147 1.00 0.00 C ATOM 1010 O ARG A 65 9.088 19.414 1.088 1.00 0.00 O ATOM 1011 CB ARG A 65 6.027 20.827 -0.022 1.00 0.00 C ATOM 1012 CG ARG A 65 5.359 21.816 -0.955 1.00 0.00 C ATOM 1013 CD ARG A 65 3.870 21.884 -0.681 1.00 0.00 C ATOM 1014 NE ARG A 65 3.199 22.902 -1.479 1.00 0.00 N ATOM 1015 CZ ARG A 65 1.922 22.825 -1.843 1.00 0.00 C ATOM 1016 NH1 ARG A 65 1.189 21.775 -1.490 1.00 0.00 N ATOM 1017 NH2 ARG A 65 1.369 23.798 -2.547 1.00 0.00 N ATOM 0 H ARG A 65 7.666 19.216 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 65 7.918 21.851 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.663 19.826 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.724 21.049 1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.804 22.803 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.531 21.521 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.422 20.912 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.708 22.092 0.377 1.00 0.00 H new ATOM 0 HE ARG A 65 3.737 23.717 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.605 21.025 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.210 21.719 -1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.922 24.613 -2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.389 23.734 -2.824 1.00 0.00 H new ATOM 1031 N ARG A 66 7.450 20.395 2.274 1.00 0.00 N ATOM 1032 CA ARG A 66 7.784 19.731 3.524 1.00 0.00 C ATOM 1033 C ARG A 66 7.132 18.352 3.548 1.00 0.00 C ATOM 1034 O ARG A 66 6.195 18.108 2.789 1.00 0.00 O ATOM 1035 CB ARG A 66 7.299 20.554 4.730 1.00 0.00 C ATOM 1036 CG ARG A 66 8.092 21.830 4.997 1.00 0.00 C ATOM 1037 CD ARG A 66 7.907 22.870 3.901 1.00 0.00 C ATOM 1038 NE ARG A 66 8.430 24.176 4.294 1.00 0.00 N ATOM 1039 CZ ARG A 66 8.837 25.110 3.431 1.00 0.00 C ATOM 1040 NH1 ARG A 66 8.857 24.862 2.129 1.00 0.00 N ATOM 1041 NH2 ARG A 66 9.248 26.288 3.875 1.00 0.00 N ATOM 0 H ARG A 66 6.683 21.064 2.347 1.00 0.00 H new ATOM 0 HA ARG A 66 8.868 19.633 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.253 20.819 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.339 19.926 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.782 22.254 5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.150 21.585 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.411 22.535 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.847 22.960 3.662 1.00 0.00 H new ATOM 0 HE ARG A 66 8.488 24.388 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.560 23.951 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.170 25.582 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.254 26.482 4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.559 27.001 3.216 1.00 0.00 H new ATOM 1055 N PRO A 67 7.626 17.431 4.399 1.00 0.00 N ATOM 1056 CA PRO A 67 7.057 16.083 4.528 1.00 0.00 C ATOM 1057 C PRO A 67 5.536 16.101 4.702 1.00 0.00 C ATOM 1058 O PRO A 67 4.820 15.435 3.957 1.00 0.00 O ATOM 1059 CB PRO A 67 7.744 15.537 5.780 1.00 0.00 C ATOM 1060 CG PRO A 67 9.051 16.240 5.821 1.00 0.00 C ATOM 1061 CD PRO A 67 8.791 17.621 5.286 1.00 0.00 C ATOM 0 HA PRO A 67 7.222 15.479 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.156 15.739 6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.876 14.457 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.441 16.282 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.794 15.720 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.575 18.328 6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.652 18.009 4.741 1.00 0.00 H new ATOM 1069 N LYS A 68 5.067 16.879 5.684 1.00 0.00 N ATOM 1070 CA LYS A 68 3.634 17.058 5.949 1.00 0.00 C ATOM 1071 C LYS A 68 2.975 15.748 6.392 1.00 0.00 C ATOM 1072 O LYS A 68 2.755 14.843 5.584 1.00 0.00 O ATOM 1073 CB LYS A 68 2.916 17.628 4.717 1.00 0.00 C ATOM 1074 CG LYS A 68 1.469 18.020 4.979 1.00 0.00 C ATOM 1075 CD LYS A 68 1.370 19.224 5.901 1.00 0.00 C ATOM 1076 CE LYS A 68 -0.076 19.553 6.247 1.00 0.00 C ATOM 1077 NZ LYS A 68 -0.869 19.974 5.059 1.00 0.00 N ATOM 0 H LYS A 68 5.670 17.403 6.318 1.00 0.00 H new ATOM 0 HA LYS A 68 3.542 17.773 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.461 18.502 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.944 16.888 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.976 18.245 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.939 17.177 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.927 19.027 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.835 20.087 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.545 18.680 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.095 20.348 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.613 20.637 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.243 20.440 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.305 19.139 4.619 1.00 0.00 H new ATOM 1091 N TYR A 69 2.652 15.674 7.684 1.00 0.00 N ATOM 1092 CA TYR A 69 2.068 14.473 8.305 1.00 0.00 C ATOM 1093 C TYR A 69 3.095 13.340 8.358 1.00 0.00 C ATOM 1094 O TYR A 69 3.570 12.952 9.426 1.00 0.00 O ATOM 1095 CB TYR A 69 0.828 13.947 7.554 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.249 14.960 7.225 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -0.949 15.631 8.220 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -0.585 15.216 5.902 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -1.948 16.533 7.902 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -1.582 16.110 5.576 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.261 16.767 6.576 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.258 17.658 6.251 1.00 0.00 O ATOM 0 H TYR A 69 2.787 16.446 8.336 1.00 0.00 H new ATOM 0 HA TYR A 69 1.766 14.778 9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.163 13.491 6.622 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.378 13.155 8.153 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.710 15.446 9.257 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.054 14.704 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.481 17.052 8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.829 16.294 4.541 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.809 17.284 5.532 1.00 0.00 H new ATOM 1112 N VAL A 70 3.432 12.832 7.184 1.00 0.00 N ATOM 1113 CA VAL A 70 4.295 11.672 7.042 1.00 0.00 C ATOM 1114 C VAL A 70 5.754 12.109 6.889 1.00 0.00 C ATOM 1115 O VAL A 70 6.029 13.249 6.541 1.00 0.00 O ATOM 1116 CB VAL A 70 3.857 10.828 5.819 1.00 0.00 C ATOM 1117 CG1 VAL A 70 4.054 11.602 4.525 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.587 9.497 5.771 1.00 0.00 C ATOM 0 H VAL A 70 3.111 13.217 6.295 1.00 0.00 H new ATOM 0 HA VAL A 70 4.208 11.060 7.940 1.00 0.00 H new ATOM 0 HB VAL A 70 2.793 10.617 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.739 10.987 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.458 12.514 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.107 11.860 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.255 8.931 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.660 9.673 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.370 8.930 6.676 1.00 0.00 H new ATOM 1128 N HIS A 71 6.683 11.209 7.178 1.00 0.00 N ATOM 1129 CA HIS A 71 8.103 11.486 7.004 1.00 0.00 C ATOM 1130 C HIS A 71 8.717 10.462 6.063 1.00 0.00 C ATOM 1131 O HIS A 71 8.122 9.411 5.821 1.00 0.00 O ATOM 1132 CB HIS A 71 8.822 11.477 8.354 1.00 0.00 C ATOM 1133 CG HIS A 71 8.551 12.692 9.187 1.00 0.00 C ATOM 1134 ND1 HIS A 71 7.519 12.778 10.098 1.00 0.00 N ATOM 1135 CD2 HIS A 71 9.191 13.884 9.240 1.00 0.00 C ATOM 1136 CE1 HIS A 71 7.540 13.966 10.672 1.00 0.00 C ATOM 1137 NE2 HIS A 71 8.544 14.656 10.169 1.00 0.00 N ATOM 0 H HIS A 71 6.478 10.276 7.536 1.00 0.00 H new ATOM 0 HA HIS A 71 8.218 12.478 6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.520 10.590 8.911 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.896 11.396 8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.053 14.173 8.657 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.851 14.314 11.427 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.798 15.609 10.429 1.00 0.00 H new ATOM 1146 N LYS A 72 9.904 10.757 5.541 1.00 0.00 N ATOM 1147 CA LYS A 72 10.545 9.877 4.565 1.00 0.00 C ATOM 1148 C LYS A 72 10.846 8.513 5.176 1.00 0.00 C ATOM 1149 O LYS A 72 10.755 7.487 4.502 1.00 0.00 O ATOM 1150 CB LYS A 72 11.832 10.501 4.014 1.00 0.00 C ATOM 1151 CG LYS A 72 12.881 10.810 5.069 1.00 0.00 C ATOM 1152 CD LYS A 72 14.205 11.216 4.439 1.00 0.00 C ATOM 1153 CE LYS A 72 14.069 12.456 3.565 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.346 12.798 2.887 1.00 0.00 N ATOM 0 H LYS A 72 10.440 11.593 5.775 1.00 0.00 H new ATOM 0 HA LYS A 72 9.847 9.744 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.264 9.823 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.579 11.423 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.523 11.612 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.031 9.935 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.936 11.406 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.588 10.391 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.294 12.290 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.746 13.298 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.212 13.647 2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.080 12.982 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.642 12.005 2.283 1.00 0.00 H new ATOM 1168 N GLU A 73 11.183 8.517 6.461 1.00 0.00 N ATOM 1169 CA GLU A 73 11.467 7.288 7.191 1.00 0.00 C ATOM 1170 C GLU A 73 10.256 6.365 7.161 1.00 0.00 C ATOM 1171 O GLU A 73 10.386 5.148 7.029 1.00 0.00 O ATOM 1172 CB GLU A 73 11.840 7.620 8.636 1.00 0.00 C ATOM 1173 CG GLU A 73 13.001 8.590 8.749 1.00 0.00 C ATOM 1174 CD GLU A 73 13.240 9.058 10.168 1.00 0.00 C ATOM 1175 OE1 GLU A 73 12.621 10.061 10.576 1.00 0.00 O ATOM 1176 OE2 GLU A 73 14.055 8.433 10.878 1.00 0.00 O ATOM 0 H GLU A 73 11.266 9.365 7.022 1.00 0.00 H new ATOM 0 HA GLU A 73 12.304 6.778 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.971 8.044 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.094 6.698 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.905 8.112 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.809 9.455 8.114 1.00 0.00 H new ATOM 1183 N GLN A 74 9.078 6.968 7.267 1.00 0.00 N ATOM 1184 CA GLN A 74 7.827 6.233 7.221 1.00 0.00 C ATOM 1185 C GLN A 74 7.547 5.730 5.812 1.00 0.00 C ATOM 1186 O GLN A 74 7.180 4.572 5.621 1.00 0.00 O ATOM 1187 CB GLN A 74 6.680 7.126 7.702 1.00 0.00 C ATOM 1188 CG GLN A 74 6.819 7.578 9.147 1.00 0.00 C ATOM 1189 CD GLN A 74 6.826 6.415 10.124 1.00 0.00 C ATOM 1190 OE1 GLN A 74 7.880 5.867 10.447 1.00 0.00 O ATOM 1191 NE2 GLN A 74 5.650 6.033 10.600 1.00 0.00 N ATOM 0 H GLN A 74 8.967 7.975 7.387 1.00 0.00 H new ATOM 0 HA GLN A 74 7.908 5.369 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.623 8.005 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.740 6.586 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.742 8.147 9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.998 8.251 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.800 6.514 10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.595 5.257 11.260 1.00 0.00 H new ATOM 1200 N ILE A 75 7.734 6.605 4.830 1.00 0.00 N ATOM 1201 CA ILE A 75 7.475 6.270 3.434 1.00 0.00 C ATOM 1202 C ILE A 75 8.330 5.085 2.984 1.00 0.00 C ATOM 1203 O ILE A 75 7.839 4.169 2.317 1.00 0.00 O ATOM 1204 CB ILE A 75 7.738 7.479 2.509 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.846 8.655 2.917 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.495 7.105 1.051 1.00 0.00 C ATOM 1207 CD1 ILE A 75 7.082 9.915 2.112 1.00 0.00 C ATOM 0 H ILE A 75 8.066 7.558 4.977 1.00 0.00 H new ATOM 0 HA ILE A 75 6.423 5.995 3.360 1.00 0.00 H new ATOM 0 HB ILE A 75 8.781 7.776 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.802 8.359 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.011 8.874 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.686 7.971 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.164 6.293 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.461 6.784 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.412 10.701 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.116 10.238 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.888 9.715 1.058 1.00 0.00 H new ATOM 1219 N GLU A 76 9.599 5.087 3.376 1.00 0.00 N ATOM 1220 CA GLU A 76 10.510 4.014 2.994 1.00 0.00 C ATOM 1221 C GLU A 76 10.131 2.708 3.684 1.00 0.00 C ATOM 1222 O GLU A 76 10.295 1.624 3.122 1.00 0.00 O ATOM 1223 CB GLU A 76 11.960 4.385 3.318 1.00 0.00 C ATOM 1224 CG GLU A 76 12.474 5.571 2.516 1.00 0.00 C ATOM 1225 CD GLU A 76 13.970 5.761 2.643 1.00 0.00 C ATOM 1226 OE1 GLU A 76 14.720 5.101 1.890 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.408 6.579 3.480 1.00 0.00 O ATOM 0 H GLU A 76 10.019 5.815 3.955 1.00 0.00 H new ATOM 0 HA GLU A 76 10.424 3.873 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.040 4.613 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.599 3.523 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.218 5.432 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.968 6.477 2.850 1.00 0.00 H new ATOM 1234 N ALA A 77 9.610 2.819 4.897 1.00 0.00 N ATOM 1235 CA ALA A 77 9.143 1.654 5.635 1.00 0.00 C ATOM 1236 C ALA A 77 7.893 1.081 4.977 1.00 0.00 C ATOM 1237 O ALA A 77 7.794 -0.125 4.754 1.00 0.00 O ATOM 1238 CB ALA A 77 8.863 2.021 7.085 1.00 0.00 C ATOM 0 H ALA A 77 9.500 3.704 5.392 1.00 0.00 H new ATOM 0 HA ALA A 77 9.924 0.894 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.515 1.139 7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.777 2.392 7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.097 2.795 7.123 1.00 0.00 H new ATOM 1244 N VAL A 78 6.954 1.962 4.646 1.00 0.00 N ATOM 1245 CA VAL A 78 5.705 1.559 4.008 1.00 0.00 C ATOM 1246 C VAL A 78 5.968 0.888 2.661 1.00 0.00 C ATOM 1247 O VAL A 78 5.271 -0.049 2.286 1.00 0.00 O ATOM 1248 CB VAL A 78 4.754 2.766 3.817 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.522 2.383 3.008 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.339 3.324 5.166 1.00 0.00 C ATOM 0 H VAL A 78 7.035 2.965 4.810 1.00 0.00 H new ATOM 0 HA VAL A 78 5.222 0.840 4.670 1.00 0.00 H new ATOM 0 HB VAL A 78 5.295 3.532 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.877 3.254 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.829 2.027 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.977 1.594 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.670 4.172 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.824 2.551 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.224 3.650 5.713 1.00 0.00 H new ATOM 1260 N LYS A 79 6.986 1.363 1.950 1.00 0.00 N ATOM 1261 CA LYS A 79 7.357 0.794 0.656 1.00 0.00 C ATOM 1262 C LYS A 79 7.620 -0.708 0.778 1.00 0.00 C ATOM 1263 O LYS A 79 7.144 -1.503 -0.032 1.00 0.00 O ATOM 1264 CB LYS A 79 8.601 1.502 0.109 1.00 0.00 C ATOM 1265 CG LYS A 79 8.945 1.129 -1.327 1.00 0.00 C ATOM 1266 CD LYS A 79 10.208 1.832 -1.796 1.00 0.00 C ATOM 1267 CE LYS A 79 10.425 1.658 -3.291 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.661 2.340 -3.761 1.00 0.00 N ATOM 0 H LYS A 79 7.571 2.143 2.248 1.00 0.00 H new ATOM 0 HA LYS A 79 6.527 0.942 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.448 2.580 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.452 1.266 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.078 0.050 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.115 1.394 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.143 2.894 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.067 1.436 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.486 0.596 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.565 2.055 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.769 2.195 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.593 3.358 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.486 1.944 -3.266 1.00 0.00 H new ATOM 1282 N ASP A 80 8.375 -1.088 1.800 1.00 0.00 N ATOM 1283 CA ASP A 80 8.669 -2.496 2.051 1.00 0.00 C ATOM 1284 C ASP A 80 7.476 -3.185 2.698 1.00 0.00 C ATOM 1285 O ASP A 80 7.108 -4.293 2.318 1.00 0.00 O ATOM 1286 CB ASP A 80 9.901 -2.634 2.953 1.00 0.00 C ATOM 1287 CG ASP A 80 10.262 -4.082 3.236 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.987 -4.686 2.416 1.00 0.00 O ATOM 1289 OD2 ASP A 80 9.842 -4.620 4.286 1.00 0.00 O ATOM 0 H ASP A 80 8.796 -0.443 2.469 1.00 0.00 H new ATOM 0 HA ASP A 80 8.875 -2.975 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.749 -2.138 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.715 -2.119 3.896 1.00 0.00 H new ATOM 1294 N ASN A 81 6.859 -2.506 3.662 1.00 0.00 N ATOM 1295 CA ASN A 81 5.762 -3.085 4.434 1.00 0.00 C ATOM 1296 C ASN A 81 4.532 -3.347 3.571 1.00 0.00 C ATOM 1297 O ASN A 81 3.740 -4.231 3.879 1.00 0.00 O ATOM 1298 CB ASN A 81 5.392 -2.188 5.622 1.00 0.00 C ATOM 1299 CG ASN A 81 6.443 -2.211 6.718 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.154 -3.199 6.894 1.00 0.00 O ATOM 1301 ND2 ASN A 81 6.550 -1.122 7.467 1.00 0.00 N ATOM 0 H ASN A 81 7.101 -1.551 3.928 1.00 0.00 H new ATOM 0 HA ASN A 81 6.114 -4.044 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.259 -1.164 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.436 -2.511 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.239 -1.085 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.943 -0.321 7.292 1.00 0.00 H new ATOM 1308 N PHE A 82 4.369 -2.584 2.497 1.00 0.00 N ATOM 1309 CA PHE A 82 3.269 -2.810 1.569 1.00 0.00 C ATOM 1310 C PHE A 82 3.444 -4.159 0.883 1.00 0.00 C ATOM 1311 O PHE A 82 2.516 -4.965 0.816 1.00 0.00 O ATOM 1312 CB PHE A 82 3.205 -1.695 0.520 1.00 0.00 C ATOM 1313 CG PHE A 82 1.980 -1.768 -0.353 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.757 -1.305 0.108 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.050 -2.302 -1.631 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.370 -1.376 -0.689 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.924 -2.374 -2.429 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.287 -1.912 -1.957 1.00 0.00 C ATOM 0 H PHE A 82 4.981 -1.807 2.248 1.00 0.00 H new ATOM 0 HA PHE A 82 2.335 -2.807 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.226 -0.729 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.094 -1.745 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.684 -0.885 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.995 -2.666 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.317 -1.011 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.992 -2.792 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.168 -1.970 -2.579 1.00 0.00 H new ATOM 1328 N LEU A 83 4.652 -4.402 0.392 1.00 0.00 N ATOM 1329 CA LEU A 83 4.978 -5.664 -0.257 1.00 0.00 C ATOM 1330 C LEU A 83 4.995 -6.792 0.769 1.00 0.00 C ATOM 1331 O LEU A 83 4.567 -7.912 0.486 1.00 0.00 O ATOM 1332 CB LEU A 83 6.328 -5.549 -0.964 1.00 0.00 C ATOM 1333 CG LEU A 83 6.365 -4.522 -2.099 1.00 0.00 C ATOM 1334 CD1 LEU A 83 7.757 -4.425 -2.700 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.348 -4.873 -3.173 1.00 0.00 C ATOM 0 H LEU A 83 5.425 -3.738 0.431 1.00 0.00 H new ATOM 0 HA LEU A 83 4.216 -5.894 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.088 -5.286 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.598 -6.526 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 83 6.106 -3.550 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.756 -3.689 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.465 -4.120 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.050 -5.396 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.390 -4.131 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.575 -5.858 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.348 -4.882 -2.738 1.00 0.00 H new ATOM 1347 N GLU A 84 5.481 -6.469 1.962 1.00 0.00 N ATOM 1348 CA GLU A 84 5.470 -7.391 3.090 1.00 0.00 C ATOM 1349 C GLU A 84 4.041 -7.838 3.397 1.00 0.00 C ATOM 1350 O GLU A 84 3.781 -9.025 3.542 1.00 0.00 O ATOM 1351 CB GLU A 84 6.094 -6.709 4.316 1.00 0.00 C ATOM 1352 CG GLU A 84 6.036 -7.526 5.603 1.00 0.00 C ATOM 1353 CD GLU A 84 6.844 -8.806 5.535 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.075 -8.719 5.321 1.00 0.00 O ATOM 1355 OE2 GLU A 84 6.252 -9.899 5.705 1.00 0.00 O ATOM 0 H GLU A 84 5.894 -5.561 2.174 1.00 0.00 H new ATOM 0 HA GLU A 84 6.056 -8.274 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.136 -6.480 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.587 -5.759 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.402 -6.917 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.997 -7.771 5.823 1.00 0.00 H new ATOM 1362 N LEU A 85 3.127 -6.875 3.471 1.00 0.00 N ATOM 1363 CA LEU A 85 1.722 -7.141 3.777 1.00 0.00 C ATOM 1364 C LEU A 85 1.135 -8.158 2.799 1.00 0.00 C ATOM 1365 O LEU A 85 0.530 -9.153 3.206 1.00 0.00 O ATOM 1366 CB LEU A 85 0.934 -5.820 3.723 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.478 -5.833 4.327 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.919 -4.412 4.639 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.481 -6.482 3.381 1.00 0.00 C ATOM 0 H LEU A 85 3.338 -5.888 3.321 1.00 0.00 H new ATOM 0 HA LEU A 85 1.649 -7.565 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.517 -5.055 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.855 -5.514 2.680 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.445 -6.420 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.921 -4.428 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.227 -3.965 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.926 -3.823 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.470 -6.475 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.511 -5.925 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.181 -7.511 3.182 1.00 0.00 H new ATOM 1381 N VAL A 86 1.328 -7.908 1.513 1.00 0.00 N ATOM 1382 CA VAL A 86 0.793 -8.781 0.475 1.00 0.00 C ATOM 1383 C VAL A 86 1.396 -10.182 0.575 1.00 0.00 C ATOM 1384 O VAL A 86 0.679 -11.184 0.528 1.00 0.00 O ATOM 1385 CB VAL A 86 1.061 -8.206 -0.934 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.468 -9.102 -2.012 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.504 -6.794 -1.046 1.00 0.00 C ATOM 0 H VAL A 86 1.852 -7.107 1.161 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.284 -8.844 0.630 1.00 0.00 H new ATOM 0 HB VAL A 86 2.140 -8.168 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.671 -8.674 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.917 -10.093 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.609 -9.182 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.701 -6.403 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.571 -6.812 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.983 -6.154 -0.305 1.00 0.00 H new ATOM 1397 N LEU A 87 2.711 -10.243 0.738 1.00 0.00 N ATOM 1398 CA LEU A 87 3.421 -11.516 0.787 1.00 0.00 C ATOM 1399 C LEU A 87 3.088 -12.295 2.060 1.00 0.00 C ATOM 1400 O LEU A 87 2.822 -13.498 2.007 1.00 0.00 O ATOM 1401 CB LEU A 87 4.932 -11.285 0.697 1.00 0.00 C ATOM 1402 CG LEU A 87 5.781 -12.554 0.593 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.435 -13.331 -0.667 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.259 -12.203 0.612 1.00 0.00 C ATOM 0 H LEU A 87 3.310 -9.424 0.839 1.00 0.00 H new ATOM 0 HA LEU A 87 3.095 -12.110 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.136 -10.658 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.251 -10.725 1.576 1.00 0.00 H new ATOM 0 HG LEU A 87 5.562 -13.186 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.050 -14.229 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.382 -13.613 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.624 -12.709 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.851 -13.115 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.489 -11.551 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.499 -11.690 1.543 1.00 0.00 H new ATOM 1416 N GLN A 88 3.077 -11.602 3.195 1.00 0.00 N ATOM 1417 CA GLN A 88 2.870 -12.245 4.490 1.00 0.00 C ATOM 1418 C GLN A 88 1.478 -12.852 4.581 1.00 0.00 C ATOM 1419 O GLN A 88 1.267 -13.827 5.304 1.00 0.00 O ATOM 1420 CB GLN A 88 3.096 -11.257 5.639 1.00 0.00 C ATOM 1421 CG GLN A 88 2.020 -10.192 5.775 1.00 0.00 C ATOM 1422 CD GLN A 88 2.344 -9.179 6.854 1.00 0.00 C ATOM 1423 OE1 GLN A 88 1.453 -8.637 7.504 1.00 0.00 O ATOM 1424 NE2 GLN A 88 3.626 -8.906 7.048 1.00 0.00 N ATOM 0 H GLN A 88 3.209 -10.592 3.245 1.00 0.00 H new ATOM 0 HA GLN A 88 3.602 -13.048 4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.158 -11.814 6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.059 -10.767 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.899 -9.677 4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.067 -10.669 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.338 -9.376 6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.901 -8.226 7.756 1.00 0.00 H new ATOM 1433 N SER A 89 0.543 -12.285 3.829 1.00 0.00 N ATOM 1434 CA SER A 89 -0.824 -12.777 3.803 1.00 0.00 C ATOM 1435 C SER A 89 -0.872 -14.182 3.198 1.00 0.00 C ATOM 1436 O SER A 89 -1.661 -15.028 3.625 1.00 0.00 O ATOM 1437 CB SER A 89 -1.712 -11.810 3.007 1.00 0.00 C ATOM 1438 OG SER A 89 -3.086 -12.136 3.137 1.00 0.00 O ATOM 0 H SER A 89 0.710 -11.479 3.226 1.00 0.00 H new ATOM 0 HA SER A 89 -1.201 -12.834 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.545 -10.791 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.429 -11.838 1.955 1.00 0.00 H new ATOM 0 HG SER A 89 -3.623 -11.500 2.620 1.00 0.00 H new ATOM 1444 N TYR A 90 0.004 -14.438 2.230 1.00 0.00 N ATOM 1445 CA TYR A 90 0.027 -15.726 1.547 1.00 0.00 C ATOM 1446 C TYR A 90 1.002 -16.700 2.198 1.00 0.00 C ATOM 1447 O TYR A 90 0.721 -17.892 2.278 1.00 0.00 O ATOM 1448 CB TYR A 90 0.372 -15.548 0.066 1.00 0.00 C ATOM 1449 CG TYR A 90 -0.771 -14.997 -0.757 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -1.840 -15.807 -1.113 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.781 -13.674 -1.177 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -2.888 -15.317 -1.869 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -1.824 -13.175 -1.934 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.875 -14.000 -2.277 1.00 0.00 C ATOM 1455 OH TYR A 90 -3.917 -13.508 -3.029 1.00 0.00 O ATOM 0 H TYR A 90 0.704 -13.773 1.903 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.973 -16.151 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.228 -14.879 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.676 -16.510 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.853 -16.839 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.039 -13.025 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.712 -15.961 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.816 -12.144 -2.256 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.756 -12.563 -3.233 1.00 0.00 H new ATOM 1465 N VAL A 91 2.145 -16.207 2.667 1.00 0.00 N ATOM 1466 CA VAL A 91 3.132 -17.086 3.298 1.00 0.00 C ATOM 1467 C VAL A 91 2.736 -17.413 4.736 1.00 0.00 C ATOM 1468 O VAL A 91 3.224 -18.381 5.314 1.00 0.00 O ATOM 1469 CB VAL A 91 4.559 -16.494 3.269 1.00 0.00 C ATOM 1470 CG1 VAL A 91 5.014 -16.293 1.835 1.00 0.00 C ATOM 1471 CG2 VAL A 91 4.624 -15.190 4.040 1.00 0.00 C ATOM 0 H VAL A 91 2.410 -15.223 2.625 1.00 0.00 H new ATOM 0 HA VAL A 91 3.144 -18.004 2.711 1.00 0.00 H new ATOM 0 HB VAL A 91 5.233 -17.201 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.021 -15.875 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.015 -17.251 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.333 -15.608 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.640 -14.796 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.938 -14.469 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.341 -15.366 5.078 1.00 0.00 H new ATOM 1481 N HIS A 92 1.855 -16.588 5.304 1.00 0.00 N ATOM 1482 CA HIS A 92 1.230 -16.865 6.603 1.00 0.00 C ATOM 1483 C HIS A 92 2.218 -16.796 7.769 1.00 0.00 C ATOM 1484 O HIS A 92 2.002 -17.432 8.797 1.00 0.00 O ATOM 1485 CB HIS A 92 0.543 -18.239 6.597 1.00 0.00 C ATOM 1486 CG HIS A 92 -0.554 -18.369 5.589 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -0.543 -19.309 4.586 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -1.712 -17.684 5.445 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -1.640 -19.193 3.865 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -2.370 -18.214 4.364 1.00 0.00 N ATOM 0 H HIS A 92 1.554 -15.711 4.880 1.00 0.00 H new ATOM 0 HA HIS A 92 0.488 -16.080 6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.292 -19.007 6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.135 -18.434 7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.055 -16.870 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -1.898 -19.798 3.009 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.273 -17.903 4.006 1.00 0.00 H new ATOM 1499 N HIS A 93 3.277 -16.001 7.642 1.00 0.00 N ATOM 1500 CA HIS A 93 4.225 -15.853 8.750 1.00 0.00 C ATOM 1501 C HIS A 93 3.810 -14.712 9.676 1.00 0.00 C ATOM 1502 O HIS A 93 4.644 -13.960 10.179 1.00 0.00 O ATOM 1503 CB HIS A 93 5.682 -15.684 8.263 1.00 0.00 C ATOM 1504 CG HIS A 93 5.996 -14.479 7.406 1.00 0.00 C ATOM 1505 ND1 HIS A 93 7.052 -14.471 6.522 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.440 -13.242 7.325 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.131 -13.294 5.932 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.168 -12.525 6.401 1.00 0.00 N ATOM 0 H HIS A 93 3.500 -15.460 6.806 1.00 0.00 H new ATOM 0 HA HIS A 93 4.195 -16.781 9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.328 -15.650 9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.954 -16.577 7.700 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.586 -12.887 7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.862 -13.008 5.190 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.991 -11.559 6.125 1.00 0.00 H new ATOM 1517 N ILE A 94 2.509 -14.615 9.910 1.00 0.00 N ATOM 1518 CA ILE A 94 1.935 -13.585 10.766 1.00 0.00 C ATOM 1519 C ILE A 94 0.771 -14.158 11.560 1.00 0.00 C ATOM 1520 O ILE A 94 0.406 -15.319 11.384 1.00 0.00 O ATOM 1521 CB ILE A 94 1.414 -12.382 9.951 1.00 0.00 C ATOM 1522 CG1 ILE A 94 0.487 -12.868 8.831 1.00 0.00 C ATOM 1523 CG2 ILE A 94 2.570 -11.568 9.388 1.00 0.00 C ATOM 1524 CD1 ILE A 94 -0.208 -11.755 8.082 1.00 0.00 C ATOM 0 H ILE A 94 1.819 -15.251 9.510 1.00 0.00 H new ATOM 0 HA ILE A 94 2.729 -13.244 11.431 1.00 0.00 H new ATOM 0 HB ILE A 94 0.844 -11.732 10.614 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.068 -13.460 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.266 -13.530 9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.178 -10.726 8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.186 -11.196 10.207 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.175 -12.198 8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.845 -12.181 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.818 -11.175 8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.537 -11.105 7.623 1.00 0.00 H new ATOM 1536 N HIS A 95 0.189 -13.347 12.429 1.00 0.00 N ATOM 1537 CA HIS A 95 -1.011 -13.750 13.150 1.00 0.00 C ATOM 1538 C HIS A 95 -2.044 -12.635 13.152 1.00 0.00 C ATOM 1539 O HIS A 95 -3.047 -12.715 12.446 1.00 0.00 O ATOM 1540 CB HIS A 95 -0.688 -14.166 14.585 1.00 0.00 C ATOM 1541 CG HIS A 95 -0.049 -15.514 14.695 1.00 0.00 C ATOM 1542 ND1 HIS A 95 -0.770 -16.685 14.712 1.00 0.00 N ATOM 1543 CD2 HIS A 95 1.250 -15.873 14.799 1.00 0.00 C ATOM 1544 CE1 HIS A 95 0.055 -17.705 14.825 1.00 0.00 C ATOM 1545 NE2 HIS A 95 1.289 -17.241 14.879 1.00 0.00 N ATOM 0 H HIS A 95 0.525 -12.410 12.652 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.427 -14.613 12.630 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.025 -13.423 15.028 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.608 -14.162 15.170 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.099 -15.206 14.816 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.230 -18.746 14.866 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.133 -17.807 14.966 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.789 -11.589 13.934 1.00 0.00 N ATOM 1555 CA LYS A 96 -2.730 -10.480 14.065 1.00 0.00 C ATOM 1556 C LYS A 96 -2.004 -9.168 14.341 1.00 0.00 C ATOM 1557 O LYS A 96 -2.142 -8.206 13.584 1.00 0.00 O ATOM 1558 CB LYS A 96 -3.740 -10.743 15.191 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.760 -11.823 14.874 1.00 0.00 C ATOM 1560 CD LYS A 96 -5.754 -12.001 16.008 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.827 -13.016 15.650 1.00 0.00 C ATOM 1562 NZ LYS A 96 -7.806 -13.199 16.751 1.00 0.00 N ATOM 0 H LYS A 96 -0.938 -11.486 14.487 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.262 -10.399 13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.196 -11.026 16.092 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.267 -9.816 15.415 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.293 -11.564 13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.247 -12.766 14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.229 -12.326 16.906 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.220 -11.043 16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.349 -12.690 14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.359 -13.973 15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.521 -13.899 16.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.312 -13.534 17.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.272 -12.292 16.956 1.00 0.00 H new ATOM 1576 N LYS A 97 -1.223 -9.148 15.423 1.00 0.00 N ATOM 1577 CA LYS A 97 -0.572 -7.923 15.897 1.00 0.00 C ATOM 1578 C LYS A 97 0.206 -7.226 14.786 1.00 0.00 C ATOM 1579 O LYS A 97 -0.012 -6.043 14.515 1.00 0.00 O ATOM 1580 CB LYS A 97 0.382 -8.217 17.062 1.00 0.00 C ATOM 1581 CG LYS A 97 -0.281 -8.829 18.288 1.00 0.00 C ATOM 1582 CD LYS A 97 -0.311 -10.350 18.221 1.00 0.00 C ATOM 1583 CE LYS A 97 -0.799 -10.956 19.526 1.00 0.00 C ATOM 1584 NZ LYS A 97 -0.655 -12.436 19.537 1.00 0.00 N ATOM 0 H LYS A 97 -1.025 -9.971 15.991 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.370 -7.262 16.236 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.163 -8.893 16.713 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.872 -7.289 17.356 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.255 -8.516 19.184 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.299 -8.450 18.377 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.962 -10.666 17.406 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.687 -10.725 17.996 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.237 -10.530 20.357 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.845 -10.692 19.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.999 -12.812 20.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.212 -12.845 18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.347 -12.688 19.415 1.00 0.00 H new ATOM 1598 N ARG A 98 1.101 -7.967 14.143 1.00 0.00 N ATOM 1599 CA ARG A 98 1.950 -7.403 13.103 1.00 0.00 C ATOM 1600 C ARG A 98 1.118 -6.912 11.926 1.00 0.00 C ATOM 1601 O ARG A 98 1.269 -5.776 11.484 1.00 0.00 O ATOM 1602 CB ARG A 98 2.976 -8.428 12.616 1.00 0.00 C ATOM 1603 CG ARG A 98 3.947 -8.892 13.688 1.00 0.00 C ATOM 1604 CD ARG A 98 5.135 -9.616 13.075 1.00 0.00 C ATOM 1605 NE ARG A 98 5.905 -8.737 12.198 1.00 0.00 N ATOM 1606 CZ ARG A 98 6.813 -9.152 11.319 1.00 0.00 C ATOM 1607 NH1 ARG A 98 7.073 -10.449 11.170 1.00 0.00 N ATOM 1608 NH2 ARG A 98 7.457 -8.256 10.583 1.00 0.00 N ATOM 0 H ARG A 98 1.257 -8.959 14.324 1.00 0.00 H new ATOM 0 HA ARG A 98 2.479 -6.555 13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.447 -9.295 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.542 -7.996 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.297 -8.034 14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.434 -9.554 14.385 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.779 -9.996 13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.784 -10.479 12.509 1.00 0.00 H new ATOM 0 HE ARG A 98 5.734 -7.734 12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.574 -11.137 11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.772 -10.755 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.253 -7.263 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.156 -8.560 9.905 1.00 0.00 H new ATOM 1622 N PHE A 99 0.224 -7.770 11.445 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.588 -7.465 10.275 1.00 0.00 C ATOM 1624 C PHE A 99 -1.414 -6.200 10.496 1.00 0.00 C ATOM 1625 O PHE A 99 -1.494 -5.338 9.618 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.506 -8.650 9.957 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.325 -8.465 8.711 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.758 -8.650 7.461 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.660 -8.109 8.790 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -2.506 -8.483 6.315 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -4.414 -7.940 7.646 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.836 -8.127 6.408 1.00 0.00 C ATOM 0 H PHE A 99 0.044 -8.688 11.852 1.00 0.00 H new ATOM 0 HA PHE A 99 0.077 -7.289 9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.899 -9.549 9.852 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.177 -8.815 10.800 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.717 -8.928 7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.117 -7.962 9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.052 -8.631 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.455 -7.662 7.720 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.424 -7.995 5.512 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.011 -6.086 11.677 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.853 -4.944 11.998 1.00 0.00 C ATOM 1644 C LYS A 100 -2.016 -3.670 12.056 1.00 0.00 C ATOM 1645 O LYS A 100 -2.401 -2.642 11.502 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.575 -5.181 13.333 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.873 -4.392 13.505 1.00 0.00 C ATOM 1648 CD LYS A 100 -4.643 -2.926 13.857 1.00 0.00 C ATOM 1649 CE LYS A 100 -4.019 -2.766 15.235 1.00 0.00 C ATOM 1650 NZ LYS A 100 -4.097 -1.361 15.720 1.00 0.00 N ATOM 0 H LYS A 100 -1.926 -6.772 12.427 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.602 -4.825 11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.797 -6.244 13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.898 -4.923 14.148 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.451 -4.451 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.472 -4.857 14.288 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.994 -2.470 13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.592 -2.391 13.824 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.526 -3.423 15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.976 -3.081 15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.231 -1.126 16.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.194 -0.718 14.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.921 -1.255 16.346 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.862 -3.752 12.708 1.00 0.00 N ATOM 1665 CA ASP A 101 0.012 -2.591 12.854 1.00 0.00 C ATOM 1666 C ASP A 101 0.547 -2.144 11.503 1.00 0.00 C ATOM 1667 O ASP A 101 0.554 -0.952 11.188 1.00 0.00 O ATOM 1668 CB ASP A 101 1.180 -2.909 13.782 1.00 0.00 C ATOM 1669 CG ASP A 101 2.026 -1.686 14.079 1.00 0.00 C ATOM 1670 OD1 ASP A 101 1.585 -0.836 14.879 1.00 0.00 O ATOM 1671 OD2 ASP A 101 3.136 -1.578 13.522 1.00 0.00 O ATOM 0 H ASP A 101 -0.510 -4.605 13.142 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.579 -1.784 13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.798 -3.320 14.716 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.804 -3.678 13.327 1.00 0.00 H new ATOM 1676 N ILE A 102 0.988 -3.109 10.707 1.00 0.00 N ATOM 1677 CA ILE A 102 1.498 -2.827 9.373 1.00 0.00 C ATOM 1678 C ILE A 102 0.421 -2.173 8.510 1.00 0.00 C ATOM 1679 O ILE A 102 0.651 -1.116 7.924 1.00 0.00 O ATOM 1680 CB ILE A 102 2.022 -4.104 8.677 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.251 -4.638 9.419 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.352 -3.827 7.213 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.796 -5.928 8.843 1.00 0.00 C ATOM 0 H ILE A 102 1.003 -4.096 10.963 1.00 0.00 H new ATOM 0 HA ILE A 102 2.334 -2.137 9.488 1.00 0.00 H new ATOM 0 HB ILE A 102 1.240 -4.862 8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.035 -3.881 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.991 -4.799 10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.719 -4.740 6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.454 -3.488 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.119 -3.055 7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.665 -6.245 9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.028 -6.700 8.889 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.088 -5.768 7.805 1.00 0.00 H new ATOM 1695 N THR A 103 -0.759 -2.788 8.466 1.00 0.00 N ATOM 1696 CA THR A 103 -1.868 -2.259 7.680 1.00 0.00 C ATOM 1697 C THR A 103 -2.213 -0.838 8.129 1.00 0.00 C ATOM 1698 O THR A 103 -2.404 0.059 7.309 1.00 0.00 O ATOM 1699 CB THR A 103 -3.119 -3.157 7.799 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.794 -4.503 7.427 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.249 -2.649 6.912 1.00 0.00 C ATOM 0 H THR A 103 -0.970 -3.652 8.965 1.00 0.00 H new ATOM 0 HA THR A 103 -1.552 -2.242 6.637 1.00 0.00 H new ATOM 0 HB THR A 103 -3.452 -3.130 8.836 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.196 -4.893 8.098 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.116 -3.302 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.519 -1.636 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.922 -2.645 5.872 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.257 -0.642 9.440 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.576 0.644 10.026 1.00 0.00 C ATOM 1711 C GLU A 104 -1.549 1.698 9.633 1.00 0.00 C ATOM 1712 O GLU A 104 -1.903 2.768 9.142 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.623 0.488 11.541 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.074 1.725 12.277 1.00 0.00 C ATOM 1715 CD GLU A 104 -3.272 1.465 13.752 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -4.390 1.076 14.143 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -2.314 1.636 14.529 1.00 0.00 O ATOM 0 H GLU A 104 -2.071 -1.375 10.125 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.544 0.978 9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.294 -0.334 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.631 0.208 11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.335 2.515 12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.007 2.085 11.844 1.00 0.00 H new ATOM 1724 N SER A 105 -0.279 1.379 9.842 1.00 0.00 N ATOM 1725 CA SER A 105 0.808 2.295 9.518 1.00 0.00 C ATOM 1726 C SER A 105 0.810 2.640 8.029 1.00 0.00 C ATOM 1727 O SER A 105 1.048 3.790 7.651 1.00 0.00 O ATOM 1728 CB SER A 105 2.151 1.686 9.927 1.00 0.00 C ATOM 1729 OG SER A 105 2.169 1.388 11.314 1.00 0.00 O ATOM 0 H SER A 105 0.026 0.489 10.236 1.00 0.00 H new ATOM 0 HA SER A 105 0.654 3.218 10.077 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.333 0.777 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.957 2.380 9.689 1.00 0.00 H new ATOM 0 HG SER A 105 1.642 0.579 11.482 1.00 0.00 H new ATOM 1735 N VAL A 106 0.532 1.648 7.185 1.00 0.00 N ATOM 1736 CA VAL A 106 0.472 1.867 5.744 1.00 0.00 C ATOM 1737 C VAL A 106 -0.709 2.765 5.383 1.00 0.00 C ATOM 1738 O VAL A 106 -0.542 3.778 4.707 1.00 0.00 O ATOM 1739 CB VAL A 106 0.370 0.537 4.957 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.135 0.790 3.475 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.631 -0.288 5.145 1.00 0.00 C ATOM 0 H VAL A 106 0.345 0.688 7.475 1.00 0.00 H new ATOM 0 HA VAL A 106 1.403 2.358 5.460 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.483 -0.017 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.068 -0.163 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.795 1.343 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.963 1.371 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.543 -1.219 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.491 0.274 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.765 -0.512 6.203 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.895 2.403 5.858 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.106 3.162 5.558 1.00 0.00 C ATOM 1753 C LEU A 107 -3.027 4.576 6.122 1.00 0.00 C ATOM 1754 O LEU A 107 -3.469 5.526 5.478 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.347 2.436 6.091 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.020 1.474 5.103 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.578 2.242 3.918 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -4.043 0.414 4.627 1.00 0.00 C ATOM 0 H LEU A 107 -2.045 1.588 6.453 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.190 3.239 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.065 1.876 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.079 3.182 6.401 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.840 0.975 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.053 1.547 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.314 2.966 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.768 2.765 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.544 -0.255 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.200 0.893 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.682 -0.158 5.482 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.458 4.718 7.315 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.272 6.036 7.914 1.00 0.00 C ATOM 1772 C TYR A 108 -1.347 6.885 7.044 1.00 0.00 C ATOM 1773 O TYR A 108 -1.589 8.076 6.841 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.708 5.920 9.334 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.619 7.243 10.065 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.721 8.086 10.149 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.440 7.641 10.683 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -2.648 9.290 10.823 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.359 8.844 11.358 1.00 0.00 C ATOM 1780 CZ TYR A 108 -1.465 9.665 11.427 1.00 0.00 C ATOM 1781 OH TYR A 108 -1.389 10.862 12.104 1.00 0.00 O ATOM 0 H TYR A 108 -2.119 3.942 7.884 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.245 6.522 7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.335 5.239 9.910 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.714 5.475 9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.649 7.795 9.680 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.428 7.000 10.635 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.513 9.935 10.877 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.566 9.140 11.830 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.487 10.974 12.471 1.00 0.00 H new ATOM 1791 N THR A 109 -0.301 6.259 6.520 1.00 0.00 N ATOM 1792 CA THR A 109 0.616 6.930 5.609 1.00 0.00 C ATOM 1793 C THR A 109 -0.095 7.297 4.307 1.00 0.00 C ATOM 1794 O THR A 109 0.075 8.399 3.784 1.00 0.00 O ATOM 1795 CB THR A 109 1.839 6.040 5.306 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.533 5.745 6.524 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.793 6.714 4.328 1.00 0.00 C ATOM 0 H THR A 109 -0.067 5.285 6.711 1.00 0.00 H new ATOM 0 HA THR A 109 0.962 7.843 6.093 1.00 0.00 H new ATOM 0 HB THR A 109 1.479 5.119 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.134 4.955 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.643 6.058 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.272 6.914 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.147 7.653 4.754 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.904 6.371 3.801 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.697 6.615 2.603 1.00 0.00 C ATOM 1807 C LEU A 110 -2.635 7.795 2.818 1.00 0.00 C ATOM 1808 O LEU A 110 -2.746 8.667 1.962 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.502 5.367 2.225 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.668 4.139 1.851 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.568 2.943 1.590 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.810 4.425 0.630 1.00 0.00 C ATOM 0 H LEU A 110 -1.027 5.442 4.204 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.016 6.851 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.149 5.105 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.151 5.614 1.385 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.012 3.906 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.958 2.079 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.145 2.719 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.248 3.172 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.225 3.540 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.451 4.685 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.137 5.256 0.844 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.288 7.824 3.978 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.192 8.917 4.333 1.00 0.00 C ATOM 1826 C HIS A 111 -3.458 10.253 4.322 1.00 0.00 C ATOM 1827 O HIS A 111 -3.988 11.261 3.859 1.00 0.00 O ATOM 1828 CB HIS A 111 -4.807 8.691 5.722 1.00 0.00 C ATOM 1829 CG HIS A 111 -5.835 7.601 5.785 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.540 7.312 6.932 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.286 6.736 4.842 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.374 6.318 6.696 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.243 5.950 5.435 1.00 0.00 N ATOM 0 H HIS A 111 -3.207 7.099 4.691 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.988 8.938 3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.007 8.458 6.424 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.264 9.622 6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.954 6.677 3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -8.051 5.879 7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.767 5.204 4.977 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.229 10.242 4.824 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.429 11.453 4.927 1.00 0.00 C ATOM 1844 C ALA A 112 -1.101 12.017 3.549 1.00 0.00 C ATOM 1845 O ALA A 112 -1.256 13.213 3.301 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.152 11.170 5.702 1.00 0.00 C ATOM 0 H ALA A 112 -1.764 9.402 5.168 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.012 12.201 5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.440 12.082 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.404 10.821 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.425 10.403 5.185 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.672 11.144 2.648 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.287 11.563 1.306 1.00 0.00 C ATOM 1854 C VAL A 113 -1.525 11.923 0.491 1.00 0.00 C ATOM 1855 O VAL A 113 -1.536 12.905 -0.252 1.00 0.00 O ATOM 1856 CB VAL A 113 0.512 10.456 0.581 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.927 10.906 -0.813 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.736 10.060 1.397 1.00 0.00 C ATOM 0 H VAL A 113 -0.582 10.143 2.821 1.00 0.00 H new ATOM 0 HA VAL A 113 0.352 12.441 1.401 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.136 9.585 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.488 10.109 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.038 11.137 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.553 11.795 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.287 9.280 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.379 10.929 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.419 9.687 2.371 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.572 11.129 0.664 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.827 11.315 -0.052 1.00 0.00 C ATOM 1870 C LYS A 114 -4.438 12.679 0.270 1.00 0.00 C ATOM 1871 O LYS A 114 -4.999 13.340 -0.607 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.792 10.178 0.319 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.076 10.112 -0.506 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.164 11.020 0.045 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.414 10.989 -0.822 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.986 9.622 -0.945 1.00 0.00 N ATOM 0 H LYS A 114 -2.576 10.336 1.306 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.638 11.287 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.265 9.229 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.061 10.281 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.858 10.394 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.439 9.085 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.417 10.711 1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.789 12.042 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.164 11.657 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.174 11.370 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.022 9.671 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.726 9.219 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.610 9.019 -0.186 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.313 13.094 1.528 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.877 14.362 1.980 1.00 0.00 C ATOM 1892 C ASP A 115 -4.270 15.525 1.215 1.00 0.00 C ATOM 1893 O ASP A 115 -4.992 16.377 0.707 1.00 0.00 O ATOM 1894 CB ASP A 115 -4.653 14.553 3.485 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.517 15.658 4.070 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.694 15.377 4.395 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.031 16.800 4.222 1.00 0.00 O ATOM 0 H ASP A 115 -3.825 12.569 2.254 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.949 14.337 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.867 13.618 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.603 14.784 3.666 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.946 15.537 1.108 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.239 16.609 0.411 1.00 0.00 C ATOM 1904 C GLU A 116 -2.587 16.636 -1.074 1.00 0.00 C ATOM 1905 O GLU A 116 -2.720 17.708 -1.663 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.730 16.466 0.589 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.254 16.803 1.989 1.00 0.00 C ATOM 1908 CD GLU A 116 -0.620 18.217 2.398 1.00 0.00 C ATOM 1909 OE1 GLU A 116 0.103 19.159 2.007 1.00 0.00 O ATOM 1910 OE2 GLU A 116 -1.618 18.393 3.124 1.00 0.00 O ATOM 0 H GLU A 116 -2.338 14.815 1.495 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.561 17.552 0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.439 15.443 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.224 17.116 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.689 16.098 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.828 16.681 2.042 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.736 15.458 -1.675 1.00 0.00 N ATOM 1918 CA ILE A 117 -3.104 15.368 -3.086 1.00 0.00 C ATOM 1919 C ILE A 117 -4.448 16.052 -3.326 1.00 0.00 C ATOM 1920 O ILE A 117 -4.607 16.841 -4.260 1.00 0.00 O ATOM 1921 CB ILE A 117 -3.190 13.900 -3.565 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.870 13.169 -3.303 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.541 13.845 -5.048 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.939 11.682 -3.585 1.00 0.00 C ATOM 0 H ILE A 117 -2.609 14.558 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.323 15.870 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.978 13.400 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -1.089 13.612 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.579 13.321 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.598 12.805 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.504 14.329 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.773 14.362 -5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.970 11.227 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.697 11.226 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -2.199 11.522 -4.631 1.00 0.00 H new ATOM 1936 N ALA A 118 -5.404 15.768 -2.453 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.737 16.342 -2.564 1.00 0.00 C ATOM 1938 C ALA A 118 -6.782 17.744 -1.969 1.00 0.00 C ATOM 1939 O ALA A 118 -7.793 18.440 -2.063 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.748 15.442 -1.876 1.00 0.00 C ATOM 0 H ALA A 118 -5.280 15.141 -1.658 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.990 16.419 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.743 15.879 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.740 14.459 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.488 15.341 -0.822 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.686 18.146 -1.345 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.591 19.462 -0.730 1.00 0.00 C ATOM 1948 C ARG A 119 -4.980 20.467 -1.701 1.00 0.00 C ATOM 1949 O ARG A 119 -5.146 21.677 -1.545 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.764 19.379 0.555 1.00 0.00 C ATOM 1951 CG ARG A 119 -4.723 20.667 1.357 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.493 20.386 2.835 1.00 0.00 C ATOM 1953 NE ARG A 119 -5.514 19.483 3.371 1.00 0.00 N ATOM 1954 CZ ARG A 119 -6.780 19.839 3.604 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -7.168 21.102 3.442 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -7.652 18.932 4.015 1.00 0.00 N ATOM 0 H ARG A 119 -4.845 17.577 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.595 19.805 -0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.170 18.586 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.744 19.092 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.928 21.310 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.660 21.209 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.506 19.945 2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.505 21.323 3.392 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.241 18.522 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.496 21.807 3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.137 21.365 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.356 17.966 4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.620 19.199 4.194 1.00 0.00 H new ATOM 1970 N GLU A 120 -4.266 19.967 -2.699 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.695 20.832 -3.717 1.00 0.00 C ATOM 1972 C GLU A 120 -4.782 21.410 -4.608 1.00 0.00 C ATOM 1973 O GLU A 120 -4.773 22.602 -4.919 1.00 0.00 O ATOM 1974 CB GLU A 120 -2.658 20.090 -4.553 1.00 0.00 C ATOM 1975 CG GLU A 120 -1.240 20.321 -4.067 1.00 0.00 C ATOM 1976 CD GLU A 120 -0.916 21.797 -3.960 1.00 0.00 C ATOM 1977 OE1 GLU A 120 -0.543 22.404 -4.986 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -1.044 22.361 -2.854 1.00 0.00 O ATOM 0 H GLU A 120 -4.070 18.974 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.193 21.655 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.876 19.022 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.738 20.410 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.108 19.848 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.539 19.843 -4.751 1.00 0.00 H new