USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 80:sc= 0.126 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.513 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0256 K(o=-0.026,f=-1.3) USER MOD Single : A 14 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-2.8!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 25 THR OG1 : rot -40:sc= -0.347 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 48 CYS SG : rot -44:sc= -1.74! USER MOD Single : A 52 SER OG : rot 180:sc= 0.199 USER MOD Single : A 59 ASN : amide:sc= 0.0883! C(o=0.088!,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 160:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -56:sc= 0.0473 USER MOD Single : A 87 ASN : amide:sc= -4.27! C(o=-4.3!,f=-9.5!) USER MOD Single : A 92 SER OG : rot -170:sc= -0.012 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.523 10.765 1.553 1.00 0.00 N ATOM 81 CA THR A 9 -1.824 10.174 1.293 1.00 0.00 C ATOM 82 C THR A 9 -2.209 9.213 2.419 1.00 0.00 C ATOM 83 O THR A 9 -1.385 8.890 3.273 1.00 0.00 O ATOM 84 CB THR A 9 -1.774 9.508 -0.084 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.624 8.669 -0.022 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.451 10.500 -1.203 1.00 0.00 C ATOM 0 HA THR A 9 -2.606 10.933 1.275 1.00 0.00 H new ATOM 0 HB THR A 9 -2.731 9.028 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.063 9.096 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.428 9.976 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.216 11.276 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.479 10.956 -1.016 1.00 0.00 H new ATOM 94 N SER A 10 -3.462 8.783 2.385 1.00 0.00 N ATOM 95 CA SER A 10 -3.967 7.866 3.392 1.00 0.00 C ATOM 96 C SER A 10 -3.380 6.471 3.170 1.00 0.00 C ATOM 97 O SER A 10 -3.203 6.042 2.030 1.00 0.00 O ATOM 98 CB SER A 10 -5.495 7.809 3.369 1.00 0.00 C ATOM 99 OG SER A 10 -6.057 8.022 4.661 1.00 0.00 O ATOM 0 H SER A 10 -4.143 9.053 1.675 1.00 0.00 H new ATOM 0 HA SER A 10 -3.660 8.231 4.372 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.875 8.563 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.816 6.839 2.990 1.00 0.00 H new ATOM 0 HG SER A 10 -7.034 7.980 4.604 1.00 0.00 H new ATOM 105 N ALA A 11 -3.094 5.800 4.276 1.00 0.00 N ATOM 106 CA ALA A 11 -2.531 4.462 4.217 1.00 0.00 C ATOM 107 C ALA A 11 -3.416 3.580 3.334 1.00 0.00 C ATOM 108 O ALA A 11 -4.618 3.816 3.221 1.00 0.00 O ATOM 109 CB ALA A 11 -2.383 3.907 5.635 1.00 0.00 C ATOM 0 H ALA A 11 -3.242 6.159 5.219 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.537 4.483 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.961 2.903 5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.722 4.554 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.361 3.868 6.114 1.00 0.00 H new ATOM 115 N PRO A 12 -2.772 2.555 2.716 1.00 0.00 N ATOM 116 CA PRO A 12 -3.487 1.636 1.847 1.00 0.00 C ATOM 117 C PRO A 12 -4.334 0.657 2.663 1.00 0.00 C ATOM 118 O PRO A 12 -3.919 0.215 3.733 1.00 0.00 O ATOM 119 CB PRO A 12 -2.408 0.948 1.028 1.00 0.00 C ATOM 120 CG PRO A 12 -1.108 1.163 1.785 1.00 0.00 C ATOM 121 CD PRO A 12 -1.349 2.244 2.827 1.00 0.00 C ATOM 0 HA PRO A 12 -4.200 2.142 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.622 -0.115 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.350 1.371 0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.787 0.237 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.313 1.462 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.097 1.893 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.735 3.124 2.634 1.00 0.00 H new ATOM 129 N GLN A 13 -5.505 0.347 2.126 1.00 0.00 N ATOM 130 CA GLN A 13 -6.413 -0.572 2.791 1.00 0.00 C ATOM 131 C GLN A 13 -6.955 -1.597 1.793 1.00 0.00 C ATOM 132 O GLN A 13 -6.796 -1.437 0.584 1.00 0.00 O ATOM 133 CB GLN A 13 -7.554 0.184 3.475 1.00 0.00 C ATOM 134 CG GLN A 13 -7.689 1.600 2.911 1.00 0.00 C ATOM 135 CD GLN A 13 -9.040 2.213 3.285 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.858 1.611 3.962 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.228 3.440 2.808 1.00 0.00 N ATOM 0 H GLN A 13 -5.846 0.716 1.238 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.859 -1.104 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.489 -0.358 3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.371 0.232 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.883 2.226 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.585 1.575 1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.502 3.886 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.098 3.935 3.002 1.00 0.00 H new ATOM 146 N HIS A 14 -7.586 -2.628 2.337 1.00 0.00 N ATOM 147 CA HIS A 14 -8.152 -3.680 1.509 1.00 0.00 C ATOM 148 C HIS A 14 -7.027 -4.542 0.934 1.00 0.00 C ATOM 149 O HIS A 14 -7.212 -5.214 -0.080 1.00 0.00 O ATOM 150 CB HIS A 14 -9.060 -3.090 0.428 1.00 0.00 C ATOM 151 CG HIS A 14 -10.093 -2.123 0.954 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.405 -2.488 1.203 1.00 0.00 N ATOM 153 CD2 HIS A 14 -9.994 -0.801 1.276 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.056 -1.426 1.653 1.00 0.00 C ATOM 155 NE2 HIS A 14 -11.181 -0.382 1.697 1.00 0.00 N ATOM 0 H HIS A 14 -7.718 -2.757 3.340 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.783 -4.328 2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.443 -2.580 -0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.569 -3.904 -0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.101 -0.198 1.201 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.098 -1.393 1.936 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.402 0.566 2.003 1.00 0.00 H new ATOM 163 N LEU A 15 -5.886 -4.496 1.605 1.00 0.00 N ATOM 164 CA LEU A 15 -4.731 -5.264 1.173 1.00 0.00 C ATOM 165 C LEU A 15 -4.849 -6.695 1.703 1.00 0.00 C ATOM 166 O LEU A 15 -4.703 -6.930 2.902 1.00 0.00 O ATOM 167 CB LEU A 15 -3.436 -4.561 1.583 1.00 0.00 C ATOM 168 CG LEU A 15 -2.138 -5.303 1.257 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.756 -5.119 -0.213 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.011 -4.876 2.200 1.00 0.00 C ATOM 0 H LEU A 15 -5.737 -3.938 2.446 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.701 -5.328 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.406 -3.586 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.468 -4.381 2.658 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.304 -6.369 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.830 -5.656 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.551 -5.511 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.614 -4.059 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.100 -5.418 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.837 -3.805 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.293 -5.100 3.229 1.00 0.00 H new ATOM 182 N THR A 16 -5.112 -7.613 0.785 1.00 0.00 N ATOM 183 CA THR A 16 -5.251 -9.013 1.145 1.00 0.00 C ATOM 184 C THR A 16 -4.521 -9.899 0.133 1.00 0.00 C ATOM 185 O THR A 16 -4.031 -9.411 -0.884 1.00 0.00 O ATOM 186 CB THR A 16 -6.744 -9.326 1.260 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.337 -8.584 0.199 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.370 -8.734 2.525 1.00 0.00 C ATOM 0 H THR A 16 -5.233 -7.414 -0.208 1.00 0.00 H new ATOM 0 HA THR A 16 -4.785 -9.221 2.108 1.00 0.00 H new ATOM 0 HB THR A 16 -6.890 -10.406 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.306 -8.731 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.430 -8.985 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.872 -9.144 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.254 -7.650 2.515 1.00 0.00 H new ATOM 196 N VAL A 17 -4.471 -11.185 0.448 1.00 0.00 N ATOM 197 CA VAL A 17 -3.809 -12.143 -0.421 1.00 0.00 C ATOM 198 C VAL A 17 -4.845 -12.788 -1.344 1.00 0.00 C ATOM 199 O VAL A 17 -5.669 -13.585 -0.897 1.00 0.00 O ATOM 200 CB VAL A 17 -3.037 -13.164 0.417 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.671 -14.394 -0.417 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.791 -12.532 1.039 1.00 0.00 C ATOM 0 H VAL A 17 -4.878 -11.586 1.293 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.076 -11.642 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.687 -13.492 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.123 -15.104 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.581 -14.865 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.048 -14.091 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.260 -13.279 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.137 -12.163 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.086 -11.703 1.683 1.00 0.00 H new ATOM 212 N GLU A 18 -4.769 -12.421 -2.615 1.00 0.00 N ATOM 213 CA GLU A 18 -5.690 -12.954 -3.604 1.00 0.00 C ATOM 214 C GLU A 18 -5.312 -14.393 -3.960 1.00 0.00 C ATOM 215 O GLU A 18 -6.153 -15.289 -3.916 1.00 0.00 O ATOM 216 CB GLU A 18 -5.724 -12.071 -4.853 1.00 0.00 C ATOM 217 CG GLU A 18 -6.325 -10.699 -4.539 1.00 0.00 C ATOM 218 CD GLU A 18 -7.674 -10.841 -3.830 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.619 -11.311 -4.499 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.728 -10.476 -2.636 1.00 0.00 O ATOM 0 H GLU A 18 -4.084 -11.761 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.692 -12.958 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.714 -11.949 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.310 -12.559 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.638 -10.132 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.453 -10.134 -5.462 1.00 0.00 H new ATOM 227 N ASP A 19 -4.045 -14.570 -4.306 1.00 0.00 N ATOM 228 CA ASP A 19 -3.545 -15.885 -4.669 1.00 0.00 C ATOM 229 C ASP A 19 -2.106 -16.034 -4.171 1.00 0.00 C ATOM 230 O ASP A 19 -1.423 -15.041 -3.929 1.00 0.00 O ATOM 231 CB ASP A 19 -3.541 -16.072 -6.188 1.00 0.00 C ATOM 232 CG ASP A 19 -3.414 -17.522 -6.660 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.326 -18.309 -6.327 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.408 -17.810 -7.344 1.00 0.00 O ATOM 0 H ASP A 19 -3.350 -13.824 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.197 -16.631 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.462 -15.653 -6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.717 -15.495 -6.608 1.00 0.00 H new ATOM 239 N VAL A 20 -1.689 -17.284 -4.031 1.00 0.00 N ATOM 240 CA VAL A 20 -0.344 -17.577 -3.566 1.00 0.00 C ATOM 241 C VAL A 20 0.256 -18.692 -4.423 1.00 0.00 C ATOM 242 O VAL A 20 -0.330 -19.766 -4.550 1.00 0.00 O ATOM 243 CB VAL A 20 -0.369 -17.917 -2.074 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.014 -18.353 -1.588 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.893 -16.738 -1.252 1.00 0.00 C ATOM 0 H VAL A 20 -2.259 -18.106 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 20 0.297 -16.702 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.053 -18.754 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.968 -18.589 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.333 -19.236 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.728 -17.545 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.901 -17.006 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.246 -15.874 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.906 -16.493 -1.572 1.00 0.00 H new ATOM 255 N THR A 21 1.418 -18.400 -4.990 1.00 0.00 N ATOM 256 CA THR A 21 2.104 -19.365 -5.831 1.00 0.00 C ATOM 257 C THR A 21 3.206 -20.074 -5.041 1.00 0.00 C ATOM 258 O THR A 21 3.205 -20.051 -3.811 1.00 0.00 O ATOM 259 CB THR A 21 2.622 -18.629 -7.069 1.00 0.00 C ATOM 260 OG1 THR A 21 1.749 -17.511 -7.198 1.00 0.00 O ATOM 261 CG2 THR A 21 2.402 -19.424 -8.358 1.00 0.00 C ATOM 0 H THR A 21 1.901 -17.508 -4.883 1.00 0.00 H new ATOM 0 HA THR A 21 1.427 -20.153 -6.162 1.00 0.00 H new ATOM 0 HB THR A 21 3.685 -18.420 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.019 -16.811 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.787 -18.857 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.926 -20.378 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.336 -19.604 -8.497 1.00 0.00 H new ATOM 269 N ASP A 22 4.119 -20.687 -5.780 1.00 0.00 N ATOM 270 CA ASP A 22 5.224 -21.402 -5.164 1.00 0.00 C ATOM 271 C ASP A 22 6.338 -20.411 -4.821 1.00 0.00 C ATOM 272 O ASP A 22 6.760 -20.320 -3.669 1.00 0.00 O ATOM 273 CB ASP A 22 5.801 -22.451 -6.116 1.00 0.00 C ATOM 274 CG ASP A 22 4.761 -23.256 -6.898 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.056 -22.628 -7.717 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.694 -24.481 -6.658 1.00 0.00 O ATOM 0 H ASP A 22 4.116 -20.703 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 22 4.848 -21.897 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.461 -21.952 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.416 -23.143 -5.541 1.00 0.00 H new ATOM 281 N THR A 23 6.783 -19.693 -5.842 1.00 0.00 N ATOM 282 CA THR A 23 7.840 -18.712 -5.663 1.00 0.00 C ATOM 283 C THR A 23 7.322 -17.307 -5.973 1.00 0.00 C ATOM 284 O THR A 23 8.107 -16.375 -6.141 1.00 0.00 O ATOM 285 CB THR A 23 9.025 -19.130 -6.536 1.00 0.00 C ATOM 286 OG1 THR A 23 8.427 -19.516 -7.771 1.00 0.00 O ATOM 287 CG2 THR A 23 9.702 -20.407 -6.034 1.00 0.00 C ATOM 0 H THR A 23 6.431 -19.771 -6.796 1.00 0.00 H new ATOM 0 HA THR A 23 8.177 -18.678 -4.627 1.00 0.00 H new ATOM 0 HB THR A 23 9.755 -18.321 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.125 -19.800 -8.398 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.536 -20.659 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.072 -20.249 -5.021 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.981 -21.225 -6.034 1.00 0.00 H new ATOM 295 N THR A 24 6.003 -17.199 -6.040 1.00 0.00 N ATOM 296 CA THR A 24 5.370 -15.922 -6.328 1.00 0.00 C ATOM 297 C THR A 24 4.051 -15.797 -5.564 1.00 0.00 C ATOM 298 O THR A 24 3.441 -16.803 -5.201 1.00 0.00 O ATOM 299 CB THR A 24 5.208 -15.806 -7.845 1.00 0.00 C ATOM 300 OG1 THR A 24 4.930 -17.139 -8.267 1.00 0.00 O ATOM 301 CG2 THR A 24 6.521 -15.458 -8.549 1.00 0.00 C ATOM 0 H THR A 24 5.355 -17.974 -5.900 1.00 0.00 H new ATOM 0 HA THR A 24 5.986 -15.089 -5.988 1.00 0.00 H new ATOM 0 HB THR A 24 4.461 -15.045 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.809 -17.156 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.350 -15.388 -9.623 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.891 -14.503 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.258 -16.235 -8.349 1.00 0.00 H new ATOM 309 N THR A 25 3.648 -14.555 -5.342 1.00 0.00 N ATOM 310 CA THR A 25 2.412 -14.285 -4.628 1.00 0.00 C ATOM 311 C THR A 25 1.700 -13.073 -5.233 1.00 0.00 C ATOM 312 O THR A 25 2.324 -12.255 -5.907 1.00 0.00 O ATOM 313 CB THR A 25 2.749 -14.114 -3.146 1.00 0.00 C ATOM 314 OG1 THR A 25 3.265 -15.385 -2.758 1.00 0.00 O ATOM 315 CG2 THR A 25 1.502 -13.938 -2.277 1.00 0.00 C ATOM 0 H THR A 25 4.156 -13.724 -5.644 1.00 0.00 H new ATOM 0 HA THR A 25 1.712 -15.115 -4.723 1.00 0.00 H new ATOM 0 HB THR A 25 3.403 -13.251 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.738 -16.095 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.798 -13.821 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.955 -13.052 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.863 -14.815 -2.376 1.00 0.00 H new ATOM 323 N THR A 26 0.404 -12.996 -4.969 1.00 0.00 N ATOM 324 CA THR A 26 -0.399 -11.898 -5.479 1.00 0.00 C ATOM 325 C THR A 26 -0.913 -11.033 -4.326 1.00 0.00 C ATOM 326 O THR A 26 -1.122 -11.528 -3.220 1.00 0.00 O ATOM 327 CB THR A 26 -1.518 -12.489 -6.340 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.828 -13.153 -7.396 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.341 -11.413 -7.050 1.00 0.00 C ATOM 0 H THR A 26 -0.110 -13.676 -4.409 1.00 0.00 H new ATOM 0 HA THR A 26 0.195 -11.232 -6.105 1.00 0.00 H new ATOM 0 HB THR A 26 -2.175 -13.095 -5.716 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.478 -13.567 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.121 -11.886 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.799 -10.757 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.691 -10.828 -7.700 1.00 0.00 H new ATOM 337 N LEU A 27 -1.102 -9.756 -4.625 1.00 0.00 N ATOM 338 CA LEU A 27 -1.587 -8.818 -3.627 1.00 0.00 C ATOM 339 C LEU A 27 -2.549 -7.829 -4.289 1.00 0.00 C ATOM 340 O LEU A 27 -2.325 -7.402 -5.421 1.00 0.00 O ATOM 341 CB LEU A 27 -0.415 -8.147 -2.907 1.00 0.00 C ATOM 342 CG LEU A 27 0.521 -9.081 -2.137 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.868 -8.407 -1.870 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.138 -9.578 -0.849 1.00 0.00 C ATOM 0 H LEU A 27 -0.928 -9.349 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.148 -9.342 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.174 -7.601 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.816 -7.411 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 27 0.716 -9.957 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.515 -9.092 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.338 -8.145 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.712 -7.504 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.548 -10.240 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.382 -8.727 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.050 -10.122 -1.094 1.00 0.00 H new ATOM 356 N LYS A 28 -3.599 -7.493 -3.555 1.00 0.00 N ATOM 357 CA LYS A 28 -4.596 -6.562 -4.056 1.00 0.00 C ATOM 358 C LYS A 28 -5.029 -5.627 -2.925 1.00 0.00 C ATOM 359 O LYS A 28 -5.556 -6.079 -1.909 1.00 0.00 O ATOM 360 CB LYS A 28 -5.756 -7.319 -4.707 1.00 0.00 C ATOM 361 CG LYS A 28 -6.114 -6.711 -6.065 1.00 0.00 C ATOM 362 CD LYS A 28 -7.477 -7.211 -6.547 1.00 0.00 C ATOM 363 CE LYS A 28 -7.834 -6.604 -7.905 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.862 -7.424 -8.585 1.00 0.00 N ATOM 0 H LYS A 28 -3.781 -7.849 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.173 -5.937 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.485 -8.367 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.626 -7.292 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.128 -5.624 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.348 -6.969 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.464 -8.298 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.243 -6.952 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.202 -5.587 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.941 -6.540 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.093 -6.998 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.497 -8.387 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.719 -7.464 -7.997 1.00 0.00 H new ATOM 378 N TRP A 29 -4.792 -4.342 -3.139 1.00 0.00 N ATOM 379 CA TRP A 29 -5.151 -3.339 -2.150 1.00 0.00 C ATOM 380 C TRP A 29 -6.067 -2.316 -2.825 1.00 0.00 C ATOM 381 O TRP A 29 -6.294 -2.382 -4.032 1.00 0.00 O ATOM 382 CB TRP A 29 -3.902 -2.707 -1.532 1.00 0.00 C ATOM 383 CG TRP A 29 -3.106 -1.827 -2.498 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.421 -0.606 -2.951 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.843 -2.152 -3.115 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.457 -0.122 -3.811 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.467 -1.092 -3.914 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.045 -3.304 -3.002 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.283 -1.078 -4.662 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.135 -3.274 -3.756 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.528 -2.215 -4.565 1.00 0.00 C ATOM 0 H TRP A 29 -4.355 -3.971 -3.983 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.690 -3.793 -1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.199 -2.108 -0.671 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.253 -3.499 -1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.317 -0.068 -2.677 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.469 0.782 -4.284 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.320 -4.145 -2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.010 -0.236 -5.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.785 -4.135 -3.705 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.455 -2.269 -5.117 1.00 0.00 H new ATOM 402 N ARG A 30 -6.567 -1.394 -2.017 1.00 0.00 N ATOM 403 CA ARG A 30 -7.453 -0.358 -2.520 1.00 0.00 C ATOM 404 C ARG A 30 -6.835 1.024 -2.299 1.00 0.00 C ATOM 405 O ARG A 30 -5.981 1.193 -1.430 1.00 0.00 O ATOM 406 CB ARG A 30 -8.817 -0.416 -1.829 1.00 0.00 C ATOM 407 CG ARG A 30 -9.570 -1.693 -2.206 1.00 0.00 C ATOM 408 CD ARG A 30 -10.291 -1.529 -3.545 1.00 0.00 C ATOM 409 NE ARG A 30 -10.033 -2.705 -4.407 1.00 0.00 N ATOM 410 CZ ARG A 30 -10.604 -2.899 -5.603 1.00 0.00 C ATOM 411 NH1 ARG A 30 -11.468 -1.997 -6.088 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.310 -3.995 -6.316 1.00 0.00 N ATOM 0 H ARG A 30 -6.376 -1.342 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.592 -0.531 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.683 -0.375 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.408 0.455 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.871 -2.528 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.293 -1.937 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.363 -1.418 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.949 -0.621 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.380 -3.412 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.691 -1.162 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.902 -2.145 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.651 -4.681 -5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.745 -4.143 -7.227 1.00 0.00 H new ATOM 426 N PRO A 31 -7.302 2.001 -3.121 1.00 0.00 N ATOM 427 CA PRO A 31 -6.804 3.363 -3.023 1.00 0.00 C ATOM 428 C PRO A 31 -7.381 4.071 -1.796 1.00 0.00 C ATOM 429 O PRO A 31 -8.442 3.695 -1.299 1.00 0.00 O ATOM 430 CB PRO A 31 -7.204 4.023 -4.333 1.00 0.00 C ATOM 431 CG PRO A 31 -8.308 3.156 -4.916 1.00 0.00 C ATOM 432 CD PRO A 31 -8.313 1.837 -4.161 1.00 0.00 C ATOM 0 HA PRO A 31 -5.724 3.407 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.554 5.042 -4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.355 4.085 -5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.273 3.653 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.139 2.986 -5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.293 1.631 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.072 1.003 -4.820 1.00 0.00 H new ATOM 440 N PRO A 32 -6.638 5.110 -1.330 1.00 0.00 N ATOM 441 CA PRO A 32 -7.065 5.875 -0.170 1.00 0.00 C ATOM 442 C PRO A 32 -8.219 6.814 -0.527 1.00 0.00 C ATOM 443 O PRO A 32 -8.600 6.921 -1.691 1.00 0.00 O ATOM 444 CB PRO A 32 -5.820 6.613 0.294 1.00 0.00 C ATOM 445 CG PRO A 32 -4.864 6.602 -0.887 1.00 0.00 C ATOM 446 CD PRO A 32 -5.377 5.584 -1.893 1.00 0.00 C ATOM 0 HA PRO A 32 -7.459 5.245 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.060 7.633 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.376 6.123 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.807 7.591 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.857 6.342 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.526 6.037 -2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.669 4.765 -2.024 1.00 0.00 H new ATOM 454 N ASP A 33 -8.743 7.471 0.498 1.00 0.00 N ATOM 455 CA ASP A 33 -9.846 8.397 0.307 1.00 0.00 C ATOM 456 C ASP A 33 -9.321 9.832 0.389 1.00 0.00 C ATOM 457 O ASP A 33 -9.886 10.739 -0.219 1.00 0.00 O ATOM 458 CB ASP A 33 -10.909 8.220 1.394 1.00 0.00 C ATOM 459 CG ASP A 33 -12.078 9.203 1.321 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.741 9.219 0.261 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.283 9.917 2.326 1.00 0.00 O ATOM 0 H ASP A 33 -8.424 7.380 1.463 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.290 8.196 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.303 7.205 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.431 8.319 2.368 1.00 0.00 H new ATOM 466 N ARG A 34 -8.246 9.992 1.146 1.00 0.00 N ATOM 467 CA ARG A 34 -7.638 11.301 1.316 1.00 0.00 C ATOM 468 C ARG A 34 -6.337 11.390 0.516 1.00 0.00 C ATOM 469 O ARG A 34 -5.249 11.384 1.090 1.00 0.00 O ATOM 470 CB ARG A 34 -7.343 11.584 2.790 1.00 0.00 C ATOM 471 CG ARG A 34 -8.595 12.082 3.514 1.00 0.00 C ATOM 472 CD ARG A 34 -8.999 11.121 4.635 1.00 0.00 C ATOM 473 NE ARG A 34 -8.189 11.385 5.845 1.00 0.00 N ATOM 474 CZ ARG A 34 -8.486 12.319 6.758 1.00 0.00 C ATOM 475 NH1 ARG A 34 -9.576 13.083 6.605 1.00 0.00 N ATOM 476 NH2 ARG A 34 -7.693 12.489 7.825 1.00 0.00 N ATOM 0 H ARG A 34 -7.780 9.237 1.649 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.345 12.045 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.976 10.678 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.552 12.330 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.410 13.073 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.415 12.182 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.058 11.240 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.857 10.090 4.310 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.352 10.821 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.180 12.953 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.802 13.794 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.863 11.907 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.919 13.200 8.520 1.00 0.00 H new ATOM 559 N ASP A 41 1.652 8.542 -6.574 1.00 0.00 N ATOM 560 CA ASP A 41 2.565 8.098 -7.614 1.00 0.00 C ATOM 561 C ASP A 41 2.475 6.577 -7.750 1.00 0.00 C ATOM 562 O ASP A 41 2.531 6.045 -8.858 1.00 0.00 O ATOM 563 CB ASP A 41 4.011 8.458 -7.267 1.00 0.00 C ATOM 564 CG ASP A 41 4.658 9.496 -8.186 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.502 10.698 -7.882 1.00 0.00 O ATOM 566 OD2 ASP A 41 5.293 9.063 -9.172 1.00 0.00 O ATOM 0 HA ASP A 41 2.284 8.592 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.041 8.832 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.612 7.549 -7.291 1.00 0.00 H new ATOM 571 N GLY A 42 2.338 5.919 -6.608 1.00 0.00 N ATOM 572 CA GLY A 42 2.241 4.470 -6.586 1.00 0.00 C ATOM 573 C GLY A 42 2.313 3.937 -5.153 1.00 0.00 C ATOM 574 O GLY A 42 1.863 4.597 -4.218 1.00 0.00 O ATOM 0 H GLY A 42 2.292 6.363 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.304 4.158 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.048 4.039 -7.179 1.00 0.00 H new ATOM 578 N TYR A 43 2.883 2.748 -5.026 1.00 0.00 N ATOM 579 CA TYR A 43 3.020 2.119 -3.724 1.00 0.00 C ATOM 580 C TYR A 43 4.265 1.231 -3.672 1.00 0.00 C ATOM 581 O TYR A 43 4.617 0.591 -4.662 1.00 0.00 O ATOM 582 CB TYR A 43 1.777 1.245 -3.544 1.00 0.00 C ATOM 583 CG TYR A 43 0.570 1.991 -2.972 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.479 2.217 -1.614 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.428 2.437 -3.814 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.657 2.919 -1.075 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.565 3.139 -3.276 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.623 3.345 -1.933 1.00 0.00 C ATOM 589 OH TYR A 43 -2.696 4.008 -1.424 1.00 0.00 O ATOM 0 H TYR A 43 3.255 2.203 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 43 3.118 2.873 -2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.503 0.817 -4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.023 0.413 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.260 1.867 -0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.357 2.260 -4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.740 3.103 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.353 3.493 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.427 4.494 -0.617 1.00 0.00 H new ATOM 599 N LEU A 44 4.897 1.220 -2.508 1.00 0.00 N ATOM 600 CA LEU A 44 6.095 0.421 -2.314 1.00 0.00 C ATOM 601 C LEU A 44 5.743 -0.830 -1.507 1.00 0.00 C ATOM 602 O LEU A 44 5.223 -0.732 -0.397 1.00 0.00 O ATOM 603 CB LEU A 44 7.207 1.265 -1.687 1.00 0.00 C ATOM 604 CG LEU A 44 8.177 1.930 -2.665 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.289 2.668 -1.917 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.734 0.912 -3.662 1.00 0.00 C ATOM 0 H LEU A 44 4.602 1.752 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 44 6.486 0.082 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.746 2.043 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.781 0.630 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 44 7.626 2.675 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.965 3.132 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.851 3.438 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.844 1.961 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.421 1.411 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.265 0.127 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.914 0.472 -4.229 1.00 0.00 H new ATOM 618 N VAL A 45 6.041 -1.979 -2.097 1.00 0.00 N ATOM 619 CA VAL A 45 5.763 -3.248 -1.447 1.00 0.00 C ATOM 620 C VAL A 45 7.069 -3.842 -0.916 1.00 0.00 C ATOM 621 O VAL A 45 8.019 -4.037 -1.672 1.00 0.00 O ATOM 622 CB VAL A 45 5.032 -4.182 -2.414 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.429 -5.376 -1.671 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.959 -3.426 -3.200 1.00 0.00 C ATOM 0 H VAL A 45 6.472 -2.057 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 45 5.101 -3.102 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 45 5.762 -4.565 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.915 -6.024 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.223 -5.936 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.719 -5.019 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.455 -4.113 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.232 -3.001 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.425 -2.625 -3.773 1.00 0.00 H new ATOM 634 N GLU A 46 7.075 -4.112 0.381 1.00 0.00 N ATOM 635 CA GLU A 46 8.249 -4.679 1.022 1.00 0.00 C ATOM 636 C GLU A 46 7.848 -5.842 1.932 1.00 0.00 C ATOM 637 O GLU A 46 6.902 -5.729 2.710 1.00 0.00 O ATOM 638 CB GLU A 46 9.016 -3.611 1.805 1.00 0.00 C ATOM 639 CG GLU A 46 9.488 -2.487 0.880 1.00 0.00 C ATOM 640 CD GLU A 46 9.424 -1.132 1.588 1.00 0.00 C ATOM 641 OE1 GLU A 46 8.295 -0.730 1.942 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.506 -0.529 1.758 1.00 0.00 O ATOM 0 H GLU A 46 6.285 -3.949 1.005 1.00 0.00 H new ATOM 0 HA GLU A 46 8.912 -5.062 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.378 -3.200 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.875 -4.064 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.510 -2.684 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.867 -2.463 -0.016 1.00 0.00 H new ATOM 649 N TYR A 47 8.586 -6.935 1.802 1.00 0.00 N ATOM 650 CA TYR A 47 8.319 -8.118 2.602 1.00 0.00 C ATOM 651 C TYR A 47 9.477 -8.405 3.560 1.00 0.00 C ATOM 652 O TYR A 47 10.635 -8.143 3.237 1.00 0.00 O ATOM 653 CB TYR A 47 8.193 -9.277 1.612 1.00 0.00 C ATOM 654 CG TYR A 47 9.452 -9.523 0.779 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.692 -8.767 -0.350 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.349 -10.502 1.156 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.877 -8.999 -1.135 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.534 -10.734 0.372 1.00 0.00 C ATOM 659 CZ TYR A 47 11.740 -9.971 -0.735 1.00 0.00 C ATOM 660 OH TYR A 47 12.859 -10.190 -1.475 1.00 0.00 O ATOM 0 H TYR A 47 9.369 -7.026 1.154 1.00 0.00 H new ATOM 0 HA TYR A 47 7.419 -7.981 3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.950 -10.186 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.358 -9.078 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.991 -8.001 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.162 -11.094 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.076 -8.414 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.244 -11.497 0.657 1.00 0.00 H new ATOM 0 HH TYR A 47 13.383 -10.913 -1.070 1.00 0.00 H new ATOM 670 N CYS A 48 9.125 -8.939 4.721 1.00 0.00 N ATOM 671 CA CYS A 48 10.120 -9.264 5.728 1.00 0.00 C ATOM 672 C CYS A 48 9.992 -10.750 6.067 1.00 0.00 C ATOM 673 O CYS A 48 8.944 -11.197 6.531 1.00 0.00 O ATOM 674 CB CYS A 48 9.978 -8.381 6.969 1.00 0.00 C ATOM 675 SG CYS A 48 11.121 -8.954 8.279 1.00 0.00 S ATOM 0 H CYS A 48 8.164 -9.155 4.986 1.00 0.00 H new ATOM 0 HA CYS A 48 11.117 -9.067 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.195 -7.344 6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.951 -8.412 7.332 1.00 0.00 H new ATOM 0 HG CYS A 48 11.070 -10.250 8.363 1.00 0.00 H new ATOM 681 N LEU A 49 11.074 -11.476 5.823 1.00 0.00 N ATOM 682 CA LEU A 49 11.096 -12.902 6.097 1.00 0.00 C ATOM 683 C LEU A 49 11.029 -13.128 7.609 1.00 0.00 C ATOM 684 O LEU A 49 11.677 -12.417 8.376 1.00 0.00 O ATOM 685 CB LEU A 49 12.307 -13.557 5.431 1.00 0.00 C ATOM 686 CG LEU A 49 12.306 -13.569 3.901 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.645 -13.076 3.348 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.939 -14.954 3.363 1.00 0.00 C ATOM 0 H LEU A 49 11.942 -11.102 5.438 1.00 0.00 H new ATOM 0 HA LEU A 49 10.221 -13.386 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.206 -13.042 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.378 -14.586 5.783 1.00 0.00 H new ATOM 0 HG LEU A 49 11.539 -12.876 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.618 -13.094 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.826 -12.057 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.446 -13.725 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.946 -14.935 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.665 -15.686 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.945 -15.229 3.715 1.00 0.00 H new ATOM 700 N GLU A 50 10.239 -14.120 7.992 1.00 0.00 N ATOM 701 CA GLU A 50 10.079 -14.449 9.399 1.00 0.00 C ATOM 702 C GLU A 50 11.446 -14.575 10.073 1.00 0.00 C ATOM 703 O GLU A 50 12.325 -15.277 9.576 1.00 0.00 O ATOM 704 CB GLU A 50 9.261 -15.730 9.573 1.00 0.00 C ATOM 705 CG GLU A 50 9.146 -16.110 11.050 1.00 0.00 C ATOM 706 CD GLU A 50 7.948 -15.418 11.704 1.00 0.00 C ATOM 707 OE1 GLU A 50 6.816 -15.882 11.448 1.00 0.00 O ATOM 708 OE2 GLU A 50 8.191 -14.440 12.443 1.00 0.00 O ATOM 0 H GLU A 50 9.703 -14.707 7.353 1.00 0.00 H new ATOM 0 HA GLU A 50 9.531 -13.640 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.266 -15.590 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.730 -16.544 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.042 -17.191 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.061 -15.832 11.573 1.00 0.00 H new ATOM 715 N GLY A 51 11.583 -13.883 11.195 1.00 0.00 N ATOM 716 CA GLY A 51 12.829 -13.909 11.943 1.00 0.00 C ATOM 717 C GLY A 51 13.712 -12.715 11.579 1.00 0.00 C ATOM 718 O GLY A 51 14.485 -12.235 12.406 1.00 0.00 O ATOM 0 H GLY A 51 10.852 -13.301 11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.616 -13.896 13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.362 -14.837 11.736 1.00 0.00 H new ATOM 722 N SER A 52 13.567 -12.268 10.339 1.00 0.00 N ATOM 723 CA SER A 52 14.342 -11.139 9.855 1.00 0.00 C ATOM 724 C SER A 52 13.702 -9.828 10.318 1.00 0.00 C ATOM 725 O SER A 52 12.500 -9.776 10.570 1.00 0.00 O ATOM 726 CB SER A 52 14.458 -11.163 8.330 1.00 0.00 C ATOM 727 OG SER A 52 15.126 -10.010 7.826 1.00 0.00 O ATOM 0 H SER A 52 12.924 -12.668 9.656 1.00 0.00 H new ATOM 0 HA SER A 52 15.347 -11.212 10.270 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.998 -12.058 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.462 -11.225 7.892 1.00 0.00 H new ATOM 0 HG SER A 52 15.181 -10.065 6.849 1.00 0.00 H new ATOM 733 N GLU A 53 14.536 -8.803 10.417 1.00 0.00 N ATOM 734 CA GLU A 53 14.066 -7.496 10.845 1.00 0.00 C ATOM 735 C GLU A 53 14.266 -6.469 9.729 1.00 0.00 C ATOM 736 O GLU A 53 14.129 -5.267 9.955 1.00 0.00 O ATOM 737 CB GLU A 53 14.771 -7.054 12.130 1.00 0.00 C ATOM 738 CG GLU A 53 13.759 -6.587 13.177 1.00 0.00 C ATOM 739 CD GLU A 53 14.435 -6.362 14.531 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.237 -7.239 14.918 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.136 -5.317 15.148 1.00 0.00 O ATOM 0 H GLU A 53 15.533 -8.851 10.208 1.00 0.00 H new ATOM 0 HA GLU A 53 13.000 -7.567 11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.358 -7.881 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.468 -6.246 11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.287 -5.663 12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.968 -7.330 13.280 1.00 0.00 H new ATOM 748 N GLU A 54 14.585 -6.979 8.549 1.00 0.00 N ATOM 749 CA GLU A 54 14.804 -6.120 7.397 1.00 0.00 C ATOM 750 C GLU A 54 13.758 -6.403 6.318 1.00 0.00 C ATOM 751 O GLU A 54 13.696 -7.508 5.781 1.00 0.00 O ATOM 752 CB GLU A 54 16.221 -6.294 6.846 1.00 0.00 C ATOM 753 CG GLU A 54 16.424 -5.455 5.582 1.00 0.00 C ATOM 754 CD GLU A 54 17.657 -4.559 5.711 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.748 -5.036 5.328 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.482 -3.418 6.190 1.00 0.00 O ATOM 0 H GLU A 54 14.697 -7.976 8.365 1.00 0.00 H new ATOM 0 HA GLU A 54 14.698 -5.083 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.948 -6.000 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.402 -7.345 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.536 -6.112 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.541 -4.841 5.403 1.00 0.00 H new ATOM 763 N TRP A 55 12.960 -5.384 6.031 1.00 0.00 N ATOM 764 CA TRP A 55 11.919 -5.509 5.025 1.00 0.00 C ATOM 765 C TRP A 55 12.562 -5.308 3.652 1.00 0.00 C ATOM 766 O TRP A 55 13.122 -4.248 3.374 1.00 0.00 O ATOM 767 CB TRP A 55 10.773 -4.532 5.298 1.00 0.00 C ATOM 768 CG TRP A 55 9.975 -4.847 6.565 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.315 -4.598 7.837 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.682 -5.484 6.630 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.339 -5.025 8.714 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.314 -5.581 7.957 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.850 -5.961 5.602 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.107 -6.152 8.378 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.647 -6.529 6.040 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.262 -6.635 7.371 1.00 0.00 C ATOM 0 H TRP A 55 13.014 -4.469 6.478 1.00 0.00 H new ATOM 0 HA TRP A 55 11.469 -6.501 5.056 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.180 -3.524 5.379 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.096 -4.535 4.444 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.237 -4.123 8.138 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.365 -4.947 9.731 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.117 -5.895 4.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.842 -6.217 9.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.971 -6.912 5.290 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.316 -7.088 7.628 1.00 0.00 H new ATOM 787 N VAL A 56 12.461 -6.341 2.829 1.00 0.00 N ATOM 788 CA VAL A 56 13.026 -6.291 1.491 1.00 0.00 C ATOM 789 C VAL A 56 11.989 -5.713 0.526 1.00 0.00 C ATOM 790 O VAL A 56 10.800 -6.006 0.638 1.00 0.00 O ATOM 791 CB VAL A 56 13.518 -7.680 1.079 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.131 -7.650 -0.323 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.513 -8.235 2.100 1.00 0.00 C ATOM 0 H VAL A 56 11.996 -7.218 3.063 1.00 0.00 H new ATOM 0 HA VAL A 56 13.895 -5.633 1.467 1.00 0.00 H new ATOM 0 HB VAL A 56 12.656 -8.347 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.473 -8.649 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.381 -7.317 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.976 -6.962 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.847 -9.223 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.372 -7.567 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.030 -8.311 3.074 1.00 0.00 H new ATOM 803 N PRO A 57 12.491 -4.881 -0.426 1.00 0.00 N ATOM 804 CA PRO A 57 11.621 -4.260 -1.410 1.00 0.00 C ATOM 805 C PRO A 57 11.186 -5.270 -2.474 1.00 0.00 C ATOM 806 O PRO A 57 12.014 -5.776 -3.230 1.00 0.00 O ATOM 807 CB PRO A 57 12.433 -3.109 -1.982 1.00 0.00 C ATOM 808 CG PRO A 57 13.883 -3.410 -1.637 1.00 0.00 C ATOM 809 CD PRO A 57 13.894 -4.512 -0.590 1.00 0.00 C ATOM 0 HA PRO A 57 10.689 -3.897 -0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.296 -3.032 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.119 -2.158 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.430 -3.723 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.378 -2.517 -1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.492 -5.363 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.324 -4.162 0.349 1.00 0.00 H new ATOM 817 N ALA A 58 9.888 -5.535 -2.497 1.00 0.00 N ATOM 818 CA ALA A 58 9.334 -6.476 -3.455 1.00 0.00 C ATOM 819 C ALA A 58 9.444 -5.889 -4.863 1.00 0.00 C ATOM 820 O ALA A 58 9.836 -6.583 -5.800 1.00 0.00 O ATOM 821 CB ALA A 58 7.889 -6.803 -3.072 1.00 0.00 C ATOM 0 H ALA A 58 9.204 -5.114 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 58 9.895 -7.410 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.473 -7.509 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.868 -7.244 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.296 -5.889 -3.077 1.00 0.00 H new ATOM 827 N ASN A 59 9.093 -4.615 -4.968 1.00 0.00 N ATOM 828 CA ASN A 59 9.148 -3.927 -6.247 1.00 0.00 C ATOM 829 C ASN A 59 10.092 -2.727 -6.134 1.00 0.00 C ATOM 830 O ASN A 59 9.858 -1.822 -5.335 1.00 0.00 O ATOM 831 CB ASN A 59 7.768 -3.406 -6.652 1.00 0.00 C ATOM 832 CG ASN A 59 7.159 -2.545 -5.543 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.397 -2.747 -4.364 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.364 -1.576 -5.986 1.00 0.00 N ATOM 0 H ASN A 59 8.770 -4.042 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 59 9.500 -4.635 -6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.851 -2.820 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.108 -4.246 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.910 -0.946 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.208 -1.462 -6.988 1.00 0.00 H new ATOM 841 N LYS A 60 11.137 -2.760 -6.947 1.00 0.00 N ATOM 842 CA LYS A 60 12.117 -1.686 -6.950 1.00 0.00 C ATOM 843 C LYS A 60 11.403 -0.351 -7.167 1.00 0.00 C ATOM 844 O LYS A 60 11.759 0.654 -6.553 1.00 0.00 O ATOM 845 CB LYS A 60 13.219 -1.969 -7.973 1.00 0.00 C ATOM 846 CG LYS A 60 14.574 -1.465 -7.473 1.00 0.00 C ATOM 847 CD LYS A 60 15.681 -2.476 -7.776 1.00 0.00 C ATOM 848 CE LYS A 60 16.673 -1.914 -8.797 1.00 0.00 C ATOM 849 NZ LYS A 60 17.970 -2.621 -8.703 1.00 0.00 N ATOM 0 H LYS A 60 11.327 -3.513 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 60 12.619 -1.625 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.274 -3.040 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.974 -1.487 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.808 -0.511 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.525 -1.285 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.206 -2.732 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.242 -3.397 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.267 -2.019 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.820 -0.848 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.631 -2.227 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.363 -2.499 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.828 -3.634 -8.893 1.00 0.00 H new ATOM 863 N GLU A 61 10.409 -0.383 -8.043 1.00 0.00 N ATOM 864 CA GLU A 61 9.643 0.813 -8.349 1.00 0.00 C ATOM 865 C GLU A 61 8.192 0.645 -7.892 1.00 0.00 C ATOM 866 O GLU A 61 7.676 -0.471 -7.849 1.00 0.00 O ATOM 867 CB GLU A 61 9.713 1.141 -9.842 1.00 0.00 C ATOM 868 CG GLU A 61 8.817 0.202 -10.653 1.00 0.00 C ATOM 869 CD GLU A 61 9.289 0.113 -12.105 1.00 0.00 C ATOM 870 OE1 GLU A 61 8.989 1.064 -12.859 1.00 0.00 O ATOM 871 OE2 GLU A 61 9.940 -0.904 -12.429 1.00 0.00 O ATOM 0 H GLU A 61 10.117 -1.218 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 61 10.080 1.651 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.406 2.174 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.743 1.056 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.823 -0.791 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.788 0.559 -10.623 1.00 0.00 H new ATOM 878 N PRO A 62 7.559 1.800 -7.553 1.00 0.00 N ATOM 879 CA PRO A 62 6.179 1.791 -7.100 1.00 0.00 C ATOM 880 C PRO A 62 5.219 1.569 -8.271 1.00 0.00 C ATOM 881 O PRO A 62 5.238 2.320 -9.245 1.00 0.00 O ATOM 882 CB PRO A 62 5.980 3.134 -6.417 1.00 0.00 C ATOM 883 CG PRO A 62 7.105 4.026 -6.916 1.00 0.00 C ATOM 884 CD PRO A 62 8.139 3.139 -7.591 1.00 0.00 C ATOM 0 HA PRO A 62 5.968 0.973 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.007 3.558 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.016 3.030 -5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.722 4.767 -7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.554 4.573 -6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.328 3.460 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.093 3.172 -7.065 1.00 0.00 H new ATOM 892 N VAL A 63 4.404 0.533 -8.138 1.00 0.00 N ATOM 893 CA VAL A 63 3.439 0.202 -9.172 1.00 0.00 C ATOM 894 C VAL A 63 2.441 1.353 -9.320 1.00 0.00 C ATOM 895 O VAL A 63 2.489 2.322 -8.564 1.00 0.00 O ATOM 896 CB VAL A 63 2.766 -1.135 -8.853 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.796 -2.264 -8.787 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.964 -1.048 -7.553 1.00 0.00 C ATOM 0 H VAL A 63 4.392 -0.088 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 63 3.938 0.078 -10.133 1.00 0.00 H new ATOM 0 HB VAL A 63 2.071 -1.362 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.292 -3.203 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.305 -2.349 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.526 -2.045 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.496 -2.011 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.631 -0.787 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.193 -0.284 -7.651 1.00 0.00 H new ATOM 908 N GLU A 64 1.561 1.208 -10.300 1.00 0.00 N ATOM 909 CA GLU A 64 0.553 2.223 -10.556 1.00 0.00 C ATOM 910 C GLU A 64 -0.820 1.740 -10.085 1.00 0.00 C ATOM 911 O GLU A 64 -1.597 2.514 -9.529 1.00 0.00 O ATOM 912 CB GLU A 64 0.522 2.603 -12.038 1.00 0.00 C ATOM 913 CG GLU A 64 0.468 1.355 -12.922 1.00 0.00 C ATOM 914 CD GLU A 64 0.128 1.722 -14.368 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.002 2.337 -15.018 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.997 1.381 -14.791 1.00 0.00 O ATOM 0 H GLU A 64 1.525 0.403 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 64 0.815 3.117 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.345 3.233 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.406 3.190 -12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.428 0.840 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.278 0.662 -12.534 1.00 0.00 H new ATOM 923 N ARG A 65 -1.076 0.462 -10.326 1.00 0.00 N ATOM 924 CA ARG A 65 -2.342 -0.133 -9.933 1.00 0.00 C ATOM 925 C ARG A 65 -2.321 -0.491 -8.445 1.00 0.00 C ATOM 926 O ARG A 65 -1.281 -0.397 -7.795 1.00 0.00 O ATOM 927 CB ARG A 65 -2.634 -1.394 -10.749 1.00 0.00 C ATOM 928 CG ARG A 65 -3.249 -1.039 -12.105 1.00 0.00 C ATOM 929 CD ARG A 65 -4.553 -1.807 -12.333 1.00 0.00 C ATOM 930 NE ARG A 65 -4.588 -2.347 -13.711 1.00 0.00 N ATOM 931 CZ ARG A 65 -5.686 -2.846 -14.294 1.00 0.00 C ATOM 932 NH1 ARG A 65 -6.845 -2.878 -13.623 1.00 0.00 N ATOM 933 NH2 ARG A 65 -5.624 -3.314 -15.548 1.00 0.00 N ATOM 0 H ARG A 65 -0.429 -0.177 -10.788 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.126 0.600 -10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.712 -1.956 -10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.314 -2.041 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.441 0.033 -12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.542 -1.271 -12.901 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.636 -2.621 -11.612 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.406 -1.148 -12.170 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.722 -2.339 -14.250 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.891 -2.522 -12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.681 -3.258 -14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.741 -3.290 -16.058 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.460 -3.694 -15.992 1.00 0.00 H new ATOM 947 N CYS A 66 -3.483 -0.893 -7.950 1.00 0.00 N ATOM 948 CA CYS A 66 -3.611 -1.265 -6.551 1.00 0.00 C ATOM 949 C CYS A 66 -3.440 -2.781 -6.440 1.00 0.00 C ATOM 950 O CYS A 66 -4.324 -3.474 -5.940 1.00 0.00 O ATOM 951 CB CYS A 66 -4.943 -0.796 -5.961 1.00 0.00 C ATOM 952 SG CYS A 66 -5.352 0.873 -6.589 1.00 0.00 S ATOM 0 H CYS A 66 -4.343 -0.969 -8.492 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.835 -0.769 -5.967 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.734 -1.497 -6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.883 -0.779 -4.873 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.626 1.090 -6.447 1.00 0.00 H new ATOM 958 N GLY A 67 -2.296 -3.252 -6.914 1.00 0.00 N ATOM 959 CA GLY A 67 -1.997 -4.674 -6.874 1.00 0.00 C ATOM 960 C GLY A 67 -0.626 -4.963 -7.488 1.00 0.00 C ATOM 961 O GLY A 67 -0.169 -4.235 -8.368 1.00 0.00 O ATOM 0 H GLY A 67 -1.565 -2.674 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.019 -5.025 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.765 -5.226 -7.415 1.00 0.00 H new ATOM 965 N PHE A 68 -0.007 -6.028 -6.999 1.00 0.00 N ATOM 966 CA PHE A 68 1.303 -6.423 -7.488 1.00 0.00 C ATOM 967 C PHE A 68 1.565 -7.906 -7.217 1.00 0.00 C ATOM 968 O PHE A 68 0.808 -8.552 -6.494 1.00 0.00 O ATOM 969 CB PHE A 68 2.334 -5.588 -6.728 1.00 0.00 C ATOM 970 CG PHE A 68 3.778 -5.823 -7.177 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.228 -5.273 -8.336 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.612 -6.582 -6.416 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.568 -5.491 -8.753 1.00 0.00 C ATOM 974 CE2 PHE A 68 5.951 -6.801 -6.832 1.00 0.00 C ATOM 975 CZ PHE A 68 6.401 -6.250 -7.992 1.00 0.00 C ATOM 0 H PHE A 68 -0.389 -6.629 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 68 1.363 -6.262 -8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.093 -4.532 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.254 -5.811 -5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.566 -4.670 -8.940 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.255 -7.018 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.925 -5.054 -9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.612 -7.405 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.420 -6.416 -8.308 1.00 0.00 H new ATOM 985 N THR A 69 2.640 -8.402 -7.811 1.00 0.00 N ATOM 986 CA THR A 69 3.011 -9.797 -7.643 1.00 0.00 C ATOM 987 C THR A 69 4.476 -9.911 -7.217 1.00 0.00 C ATOM 988 O THR A 69 5.367 -9.416 -7.906 1.00 0.00 O ATOM 989 CB THR A 69 2.700 -10.530 -8.949 1.00 0.00 C ATOM 990 OG1 THR A 69 1.297 -10.773 -8.885 1.00 0.00 O ATOM 991 CG2 THR A 69 3.318 -11.929 -8.997 1.00 0.00 C ATOM 0 H THR A 69 3.266 -7.863 -8.409 1.00 0.00 H new ATOM 0 HA THR A 69 2.435 -10.266 -6.845 1.00 0.00 H new ATOM 0 HB THR A 69 3.066 -9.942 -9.791 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.009 -11.244 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.067 -12.405 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.401 -11.852 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.927 -12.528 -8.175 1.00 0.00 H new ATOM 999 N VAL A 70 4.680 -10.566 -6.083 1.00 0.00 N ATOM 1000 CA VAL A 70 6.022 -10.751 -5.557 1.00 0.00 C ATOM 1001 C VAL A 70 6.599 -12.063 -6.093 1.00 0.00 C ATOM 1002 O VAL A 70 5.854 -12.984 -6.422 1.00 0.00 O ATOM 1003 CB VAL A 70 5.998 -10.689 -4.029 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.417 -10.704 -3.457 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.223 -9.463 -3.542 1.00 0.00 C ATOM 0 H VAL A 70 3.939 -10.975 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 70 6.677 -9.947 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 70 5.481 -11.578 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.371 -10.659 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.922 -11.621 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.970 -9.843 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.221 -9.443 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.698 -8.558 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.197 -9.513 -3.906 1.00 0.00 H new ATOM 1015 N LYS A 71 7.921 -12.105 -6.165 1.00 0.00 N ATOM 1016 CA LYS A 71 8.607 -13.288 -6.656 1.00 0.00 C ATOM 1017 C LYS A 71 9.821 -13.573 -5.770 1.00 0.00 C ATOM 1018 O LYS A 71 10.136 -12.793 -4.873 1.00 0.00 O ATOM 1019 CB LYS A 71 8.951 -13.132 -8.139 1.00 0.00 C ATOM 1020 CG LYS A 71 9.967 -12.008 -8.350 1.00 0.00 C ATOM 1021 CD LYS A 71 9.769 -11.338 -9.711 1.00 0.00 C ATOM 1022 CE LYS A 71 8.455 -10.555 -9.751 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.665 -9.220 -10.354 1.00 0.00 N ATOM 0 H LYS A 71 8.536 -11.338 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 71 7.955 -14.159 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.355 -14.069 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.045 -12.919 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.864 -11.267 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.978 -12.409 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.603 -10.666 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.770 -12.094 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.713 -11.108 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.059 -10.446 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.763 -8.702 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.357 -8.689 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.022 -9.330 -11.325 1.00 0.00 H new ATOM 1037 N ASP A 72 10.470 -14.693 -6.052 1.00 0.00 N ATOM 1038 CA ASP A 72 11.642 -15.091 -5.292 1.00 0.00 C ATOM 1039 C ASP A 72 11.282 -15.161 -3.807 1.00 0.00 C ATOM 1040 O ASP A 72 11.538 -14.221 -3.057 1.00 0.00 O ATOM 1041 CB ASP A 72 12.775 -14.077 -5.456 1.00 0.00 C ATOM 1042 CG ASP A 72 13.720 -14.347 -6.628 1.00 0.00 C ATOM 1043 OD1 ASP A 72 13.196 -14.654 -7.721 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.946 -14.240 -6.406 1.00 0.00 O ATOM 0 H ASP A 72 10.206 -15.338 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 72 11.970 -16.062 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.340 -13.086 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.359 -14.055 -4.536 1.00 0.00 H new ATOM 1049 N LEU A 73 10.693 -16.286 -3.426 1.00 0.00 N ATOM 1050 CA LEU A 73 10.294 -16.491 -2.044 1.00 0.00 C ATOM 1051 C LEU A 73 10.506 -17.959 -1.669 1.00 0.00 C ATOM 1052 O LEU A 73 10.315 -18.848 -2.497 1.00 0.00 O ATOM 1053 CB LEU A 73 8.863 -15.999 -1.820 1.00 0.00 C ATOM 1054 CG LEU A 73 8.504 -14.661 -2.470 1.00 0.00 C ATOM 1055 CD1 LEU A 73 6.989 -14.519 -2.630 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.110 -13.493 -1.691 1.00 0.00 C ATOM 0 H LEU A 73 10.483 -17.065 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 73 10.918 -15.898 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.176 -16.758 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.692 -15.916 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 73 8.937 -14.640 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.760 -13.560 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.612 -15.325 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.513 -14.571 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.840 -12.554 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.728 -13.499 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.195 -13.592 -1.672 1.00 0.00 H new ATOM 1068 N PRO A 74 10.908 -18.173 -0.387 1.00 0.00 N ATOM 1069 CA PRO A 74 11.148 -19.518 0.107 1.00 0.00 C ATOM 1070 C PRO A 74 9.829 -20.252 0.362 1.00 0.00 C ATOM 1071 O PRO A 74 9.014 -19.809 1.170 1.00 0.00 O ATOM 1072 CB PRO A 74 11.977 -19.332 1.367 1.00 0.00 C ATOM 1073 CG PRO A 74 11.778 -17.885 1.787 1.00 0.00 C ATOM 1074 CD PRO A 74 11.144 -17.144 0.621 1.00 0.00 C ATOM 0 HA PRO A 74 11.677 -20.143 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.653 -20.015 2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.029 -19.542 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.139 -17.828 2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.732 -17.431 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.214 -16.660 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.803 -16.363 0.243 1.00 0.00 H new ATOM 1082 N THR A 75 9.660 -21.361 -0.343 1.00 0.00 N ATOM 1083 CA THR A 75 8.455 -22.160 -0.204 1.00 0.00 C ATOM 1084 C THR A 75 8.314 -22.666 1.233 1.00 0.00 C ATOM 1085 O THR A 75 9.211 -23.329 1.752 1.00 0.00 O ATOM 1086 CB THR A 75 8.510 -23.283 -1.241 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.659 -22.601 -2.484 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.175 -24.019 -1.378 1.00 0.00 C ATOM 0 H THR A 75 10.338 -21.725 -1.012 1.00 0.00 H new ATOM 0 HA THR A 75 7.562 -21.565 -0.395 1.00 0.00 H new ATOM 0 HB THR A 75 9.290 -23.993 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.923 -21.964 -2.598 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.268 -24.806 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.903 -24.461 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.402 -23.315 -1.686 1.00 0.00 H new ATOM 1096 N GLY A 76 7.181 -22.335 1.835 1.00 0.00 N ATOM 1097 CA GLY A 76 6.911 -22.747 3.202 1.00 0.00 C ATOM 1098 C GLY A 76 7.574 -21.798 4.202 1.00 0.00 C ATOM 1099 O GLY A 76 8.126 -22.239 5.209 1.00 0.00 O ATOM 0 H GLY A 76 6.439 -21.786 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.835 -22.768 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.278 -23.761 3.359 1.00 0.00 H new ATOM 1103 N ALA A 77 7.497 -20.513 3.889 1.00 0.00 N ATOM 1104 CA ALA A 77 8.083 -19.498 4.748 1.00 0.00 C ATOM 1105 C ALA A 77 7.049 -18.402 5.013 1.00 0.00 C ATOM 1106 O ALA A 77 6.426 -17.893 4.083 1.00 0.00 O ATOM 1107 CB ALA A 77 9.357 -18.953 4.100 1.00 0.00 C ATOM 0 H ALA A 77 7.038 -20.151 3.053 1.00 0.00 H new ATOM 0 HA ALA A 77 8.365 -19.926 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.796 -18.192 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.070 -19.765 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.114 -18.513 3.133 1.00 0.00 H new ATOM 1113 N ARG A 78 6.898 -18.070 6.287 1.00 0.00 N ATOM 1114 CA ARG A 78 5.950 -17.044 6.686 1.00 0.00 C ATOM 1115 C ARG A 78 6.532 -15.653 6.426 1.00 0.00 C ATOM 1116 O ARG A 78 7.301 -15.137 7.235 1.00 0.00 O ATOM 1117 CB ARG A 78 5.593 -17.170 8.169 1.00 0.00 C ATOM 1118 CG ARG A 78 4.540 -18.258 8.388 1.00 0.00 C ATOM 1119 CD ARG A 78 5.081 -19.371 9.288 1.00 0.00 C ATOM 1120 NE ARG A 78 4.029 -19.820 10.227 1.00 0.00 N ATOM 1121 CZ ARG A 78 4.225 -20.719 11.201 1.00 0.00 C ATOM 1122 NH1 ARG A 78 5.434 -21.270 11.371 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.211 -21.066 12.006 1.00 0.00 N ATOM 0 H ARG A 78 7.417 -18.494 7.056 1.00 0.00 H new ATOM 0 HA ARG A 78 5.046 -17.180 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.489 -17.405 8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.218 -16.216 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.649 -17.821 8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.239 -18.676 7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.419 -20.210 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.947 -19.012 9.844 1.00 0.00 H new ATOM 0 HE ARG A 78 3.096 -19.420 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.206 -21.005 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.583 -21.954 12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.291 -20.646 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.360 -21.750 12.748 1.00 0.00 H new ATOM 1137 N ILE A 79 6.143 -15.087 5.293 1.00 0.00 N ATOM 1138 CA ILE A 79 6.617 -13.766 4.916 1.00 0.00 C ATOM 1139 C ILE A 79 5.481 -12.754 5.082 1.00 0.00 C ATOM 1140 O ILE A 79 4.349 -13.015 4.678 1.00 0.00 O ATOM 1141 CB ILE A 79 7.215 -13.793 3.507 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.383 -14.777 3.427 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.616 -12.388 3.055 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.785 -15.034 1.973 1.00 0.00 C ATOM 0 H ILE A 79 5.505 -15.519 4.624 1.00 0.00 H new ATOM 0 HA ILE A 79 7.425 -13.449 5.575 1.00 0.00 H new ATOM 0 HB ILE A 79 6.449 -14.146 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.235 -14.381 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.104 -15.717 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.038 -12.435 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.737 -11.743 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.359 -11.983 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.618 -15.737 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.938 -15.453 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.086 -14.096 1.508 1.00 0.00 H new ATOM 1156 N LEU A 80 5.823 -11.621 5.677 1.00 0.00 N ATOM 1157 CA LEU A 80 4.846 -10.569 5.901 1.00 0.00 C ATOM 1158 C LEU A 80 4.966 -9.522 4.793 1.00 0.00 C ATOM 1159 O LEU A 80 6.048 -8.986 4.555 1.00 0.00 O ATOM 1160 CB LEU A 80 4.994 -9.993 7.311 1.00 0.00 C ATOM 1161 CG LEU A 80 4.307 -10.776 8.432 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.730 -10.253 9.805 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.787 -10.763 8.257 1.00 0.00 C ATOM 0 H LEU A 80 6.763 -11.408 6.011 1.00 0.00 H new ATOM 0 HA LEU A 80 3.834 -10.971 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.057 -9.922 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.599 -8.977 7.310 1.00 0.00 H new ATOM 0 HG LEU A 80 4.630 -11.815 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.227 -10.827 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.809 -10.357 9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.455 -9.202 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.323 -11.326 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.427 -9.734 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.527 -11.219 7.302 1.00 0.00 H new ATOM 1175 N PHE A 81 3.841 -9.261 4.144 1.00 0.00 N ATOM 1176 CA PHE A 81 3.807 -8.288 3.066 1.00 0.00 C ATOM 1177 C PHE A 81 3.206 -6.964 3.542 1.00 0.00 C ATOM 1178 O PHE A 81 2.221 -6.954 4.279 1.00 0.00 O ATOM 1179 CB PHE A 81 2.920 -8.870 1.964 1.00 0.00 C ATOM 1180 CG PHE A 81 3.487 -10.133 1.311 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.754 -10.133 0.819 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.723 -11.255 1.224 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.280 -11.305 0.213 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.249 -12.426 0.618 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.516 -12.426 0.125 1.00 0.00 C ATOM 0 H PHE A 81 2.946 -9.707 4.344 1.00 0.00 H new ATOM 0 HA PHE A 81 4.819 -8.091 2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.940 -9.099 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.769 -8.112 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.361 -9.242 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.717 -11.255 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.287 -11.306 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.643 -13.317 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.916 -13.317 -0.337 1.00 0.00 H new ATOM 1195 N ARG A 82 3.824 -5.877 3.101 1.00 0.00 N ATOM 1196 CA ARG A 82 3.361 -4.551 3.473 1.00 0.00 C ATOM 1197 C ARG A 82 3.389 -3.620 2.259 1.00 0.00 C ATOM 1198 O ARG A 82 4.253 -3.749 1.393 1.00 0.00 O ATOM 1199 CB ARG A 82 4.230 -3.956 4.584 1.00 0.00 C ATOM 1200 CG ARG A 82 5.664 -3.735 4.099 1.00 0.00 C ATOM 1201 CD ARG A 82 6.149 -2.327 4.448 1.00 0.00 C ATOM 1202 NE ARG A 82 7.448 -2.400 5.155 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.346 -1.406 5.180 1.00 0.00 C ATOM 1204 NH1 ARG A 82 8.092 -0.257 4.539 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.498 -1.560 5.847 1.00 0.00 N ATOM 0 H ARG A 82 4.641 -5.888 2.490 1.00 0.00 H new ATOM 0 HA ARG A 82 2.339 -4.646 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.804 -3.009 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.232 -4.624 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.324 -4.474 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.714 -3.884 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.253 -1.734 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.412 -1.824 5.075 1.00 0.00 H new ATOM 0 HE ARG A 82 7.673 -3.261 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.215 -0.139 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.776 0.500 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.691 -2.434 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.181 -0.803 5.866 1.00 0.00 H new ATOM 1219 N VAL A 83 2.434 -2.702 2.236 1.00 0.00 N ATOM 1220 CA VAL A 83 2.339 -1.749 1.143 1.00 0.00 C ATOM 1221 C VAL A 83 2.318 -0.329 1.710 1.00 0.00 C ATOM 1222 O VAL A 83 1.612 -0.054 2.680 1.00 0.00 O ATOM 1223 CB VAL A 83 1.117 -2.066 0.278 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.590 -0.804 -0.409 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.437 -3.155 -0.747 1.00 0.00 C ATOM 0 H VAL A 83 1.719 -2.598 2.956 1.00 0.00 H new ATOM 0 HA VAL A 83 3.210 -1.826 0.492 1.00 0.00 H new ATOM 0 HB VAL A 83 0.332 -2.444 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.278 -1.057 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.304 -0.072 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.369 -0.384 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.551 -3.361 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.245 -2.818 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.743 -4.064 -0.229 1.00 0.00 H new ATOM 1235 N VAL A 84 3.100 0.537 1.082 1.00 0.00 N ATOM 1236 CA VAL A 84 3.181 1.922 1.513 1.00 0.00 C ATOM 1237 C VAL A 84 3.067 2.838 0.292 1.00 0.00 C ATOM 1238 O VAL A 84 3.804 2.678 -0.679 1.00 0.00 O ATOM 1239 CB VAL A 84 4.465 2.148 2.312 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.285 1.722 3.771 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.647 1.419 1.670 1.00 0.00 C ATOM 0 H VAL A 84 3.683 0.306 0.278 1.00 0.00 H new ATOM 0 HA VAL A 84 2.353 2.164 2.180 1.00 0.00 H new ATOM 0 HB VAL A 84 4.684 3.216 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.213 1.893 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.484 2.306 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.030 0.663 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.547 1.597 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.440 0.349 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.797 1.791 0.656 1.00 0.00 H new ATOM 1251 N GLY A 85 2.138 3.779 0.382 1.00 0.00 N ATOM 1252 CA GLY A 85 1.919 4.720 -0.702 1.00 0.00 C ATOM 1253 C GLY A 85 3.011 5.791 -0.728 1.00 0.00 C ATOM 1254 O GLY A 85 3.107 6.607 0.188 1.00 0.00 O ATOM 0 H GLY A 85 1.529 3.909 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.904 4.188 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.944 5.193 -0.586 1.00 0.00 H new ATOM 1258 N VAL A 86 3.807 5.754 -1.786 1.00 0.00 N ATOM 1259 CA VAL A 86 4.889 6.711 -1.943 1.00 0.00 C ATOM 1260 C VAL A 86 4.355 7.969 -2.632 1.00 0.00 C ATOM 1261 O VAL A 86 3.302 7.934 -3.267 1.00 0.00 O ATOM 1262 CB VAL A 86 6.053 6.066 -2.697 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.733 4.995 -1.842 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.587 5.487 -4.034 1.00 0.00 C ATOM 0 H VAL A 86 3.724 5.076 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 86 5.277 7.012 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 86 6.788 6.843 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.557 4.552 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.117 5.449 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.010 4.220 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.434 5.035 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.824 4.729 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.171 6.284 -4.650 1.00 0.00 H new ATOM 1274 N ASN A 87 5.105 9.051 -2.482 1.00 0.00 N ATOM 1275 CA ASN A 87 4.721 10.318 -3.081 1.00 0.00 C ATOM 1276 C ASN A 87 5.655 11.419 -2.578 1.00 0.00 C ATOM 1277 O ASN A 87 6.553 11.160 -1.778 1.00 0.00 O ATOM 1278 CB ASN A 87 3.290 10.698 -2.694 1.00 0.00 C ATOM 1279 CG ASN A 87 3.058 10.507 -1.194 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.645 9.650 -0.553 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.173 11.350 -0.672 1.00 0.00 N ATOM 0 H ASN A 87 5.977 9.076 -1.954 1.00 0.00 H new ATOM 0 HA ASN A 87 4.786 10.213 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.100 11.736 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.583 10.087 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.949 11.303 0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.718 12.044 -1.265 1.00 0.00 H new ATOM 1288 N ILE A 88 5.413 12.626 -3.068 1.00 0.00 N ATOM 1289 CA ILE A 88 6.221 13.769 -2.678 1.00 0.00 C ATOM 1290 C ILE A 88 6.268 13.858 -1.151 1.00 0.00 C ATOM 1291 O ILE A 88 7.317 14.141 -0.574 1.00 0.00 O ATOM 1292 CB ILE A 88 5.710 15.043 -3.353 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.765 16.150 -3.305 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.380 15.491 -2.742 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.958 16.783 -4.685 1.00 0.00 C ATOM 0 H ILE A 88 4.668 12.837 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 88 7.248 13.644 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 88 5.523 14.822 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.463 16.915 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.712 15.740 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.038 16.399 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.637 14.704 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.516 15.689 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.713 17.567 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.283 16.021 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.015 17.213 -5.023 1.00 0.00 H new ATOM 1307 N ALA A 89 5.119 13.611 -0.540 1.00 0.00 N ATOM 1308 CA ALA A 89 5.015 13.660 0.908 1.00 0.00 C ATOM 1309 C ALA A 89 5.949 12.612 1.517 1.00 0.00 C ATOM 1310 O ALA A 89 6.263 12.670 2.705 1.00 0.00 O ATOM 1311 CB ALA A 89 3.557 13.453 1.323 1.00 0.00 C ATOM 0 H ALA A 89 4.251 13.376 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 89 5.325 14.636 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.479 13.490 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.940 14.239 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.212 12.482 0.967 1.00 0.00 H new ATOM 1317 N GLY A 90 6.367 11.677 0.676 1.00 0.00 N ATOM 1318 CA GLY A 90 7.258 10.617 1.117 1.00 0.00 C ATOM 1319 C GLY A 90 6.550 9.261 1.096 1.00 0.00 C ATOM 1320 O GLY A 90 6.264 8.722 0.028 1.00 0.00 O ATOM 0 H GLY A 90 6.105 11.632 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.136 10.583 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.612 10.831 2.125 1.00 0.00 H new ATOM 1324 N ARG A 91 6.287 8.749 2.289 1.00 0.00 N ATOM 1325 CA ARG A 91 5.618 7.466 2.422 1.00 0.00 C ATOM 1326 C ARG A 91 4.512 7.550 3.475 1.00 0.00 C ATOM 1327 O ARG A 91 4.487 8.479 4.281 1.00 0.00 O ATOM 1328 CB ARG A 91 6.607 6.367 2.818 1.00 0.00 C ATOM 1329 CG ARG A 91 7.541 6.845 3.931 1.00 0.00 C ATOM 1330 CD ARG A 91 7.713 5.767 5.003 1.00 0.00 C ATOM 1331 NE ARG A 91 9.150 5.571 5.297 1.00 0.00 N ATOM 1332 CZ ARG A 91 10.056 5.181 4.390 1.00 0.00 C ATOM 1333 NH1 ARG A 91 9.680 4.942 3.127 1.00 0.00 N ATOM 1334 NH2 ARG A 91 11.339 5.029 4.747 1.00 0.00 N ATOM 0 H ARG A 91 6.525 9.199 3.173 1.00 0.00 H new ATOM 0 HA ARG A 91 5.184 7.217 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.061 5.484 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.194 6.070 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.513 7.102 3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.139 7.752 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.184 6.057 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.272 4.830 4.663 1.00 0.00 H new ATOM 0 HE ARG A 91 9.471 5.744 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.704 5.057 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.370 4.645 2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.626 5.210 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.029 4.732 4.057 1.00 0.00 H new ATOM 1348 N SER A 92 3.623 6.568 3.434 1.00 0.00 N ATOM 1349 CA SER A 92 2.517 6.520 4.375 1.00 0.00 C ATOM 1350 C SER A 92 2.592 5.237 5.205 1.00 0.00 C ATOM 1351 O SER A 92 3.412 4.362 4.930 1.00 0.00 O ATOM 1352 CB SER A 92 1.173 6.605 3.650 1.00 0.00 C ATOM 1353 OG SER A 92 0.763 5.341 3.134 1.00 0.00 O ATOM 0 H SER A 92 3.646 5.799 2.764 1.00 0.00 H new ATOM 0 HA SER A 92 2.596 7.380 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.414 6.980 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.246 7.323 2.833 1.00 0.00 H new ATOM 0 HG SER A 92 -0.012 5.463 2.547 1.00 0.00 H new ATOM 1359 N GLU A 93 1.725 5.166 6.205 1.00 0.00 N ATOM 1360 CA GLU A 93 1.683 4.004 7.077 1.00 0.00 C ATOM 1361 C GLU A 93 1.591 2.722 6.249 1.00 0.00 C ATOM 1362 O GLU A 93 0.824 2.651 5.289 1.00 0.00 O ATOM 1363 CB GLU A 93 0.519 4.103 8.066 1.00 0.00 C ATOM 1364 CG GLU A 93 0.740 5.244 9.060 1.00 0.00 C ATOM 1365 CD GLU A 93 0.122 6.547 8.547 1.00 0.00 C ATOM 1366 OE1 GLU A 93 0.750 7.160 7.657 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.963 6.899 9.057 1.00 0.00 O ATOM 0 H GLU A 93 1.047 5.894 6.431 1.00 0.00 H new ATOM 0 HA GLU A 93 2.607 3.974 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.412 4.265 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.414 3.161 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.300 4.983 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.808 5.385 9.226 1.00 0.00 H new ATOM 1374 N PRO A 94 2.404 1.712 6.660 1.00 0.00 N ATOM 1375 CA PRO A 94 2.422 0.436 5.966 1.00 0.00 C ATOM 1376 C PRO A 94 1.176 -0.387 6.300 1.00 0.00 C ATOM 1377 O PRO A 94 0.874 -0.617 7.470 1.00 0.00 O ATOM 1378 CB PRO A 94 3.712 -0.235 6.410 1.00 0.00 C ATOM 1379 CG PRO A 94 4.137 0.479 7.682 1.00 0.00 C ATOM 1380 CD PRO A 94 3.325 1.760 7.792 1.00 0.00 C ATOM 0 HA PRO A 94 2.398 0.547 4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.556 -1.298 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.480 -0.153 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.967 -0.156 8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.203 0.704 7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.787 1.808 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.966 2.641 7.744 1.00 0.00 H new ATOM 1388 N ALA A 95 0.485 -0.807 5.250 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.722 -1.599 5.417 1.00 0.00 C ATOM 1390 C ALA A 95 -0.339 -3.065 5.627 1.00 0.00 C ATOM 1391 O ALA A 95 -0.755 -3.935 4.862 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.633 -1.402 4.204 1.00 0.00 C ATOM 0 H ALA A 95 0.738 -0.614 4.281 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.277 -1.274 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.538 -1.996 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.899 -0.349 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.111 -1.721 3.302 1.00 0.00 H new ATOM 1398 N THR A 96 0.448 -3.295 6.668 1.00 0.00 N ATOM 1399 CA THR A 96 0.891 -4.641 6.988 1.00 0.00 C ATOM 1400 C THR A 96 -0.266 -5.632 6.842 1.00 0.00 C ATOM 1401 O THR A 96 -1.404 -5.318 7.185 1.00 0.00 O ATOM 1402 CB THR A 96 1.497 -4.618 8.393 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.159 -3.358 8.464 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.623 -5.640 8.562 1.00 0.00 C ATOM 0 H THR A 96 0.790 -2.572 7.301 1.00 0.00 H new ATOM 0 HA THR A 96 1.659 -4.980 6.293 1.00 0.00 H new ATOM 0 HB THR A 96 0.716 -4.813 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.579 -3.258 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.018 -5.582 9.576 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.235 -6.642 8.381 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.420 -5.425 7.850 1.00 0.00 H new ATOM 1412 N LEU A 97 0.067 -6.810 6.333 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.930 -7.849 6.138 1.00 0.00 C ATOM 1414 C LEU A 97 -1.411 -8.351 7.501 1.00 0.00 C ATOM 1415 O LEU A 97 -0.638 -8.399 8.456 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.382 -8.954 5.233 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.747 -8.850 3.751 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.185 -10.036 2.964 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.259 -8.705 3.567 1.00 0.00 C ATOM 0 H LEU A 97 1.013 -7.067 6.050 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.802 -7.449 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.705 -8.962 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.738 -9.913 5.608 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.286 -7.948 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.459 -9.938 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.901 -10.052 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.597 -10.964 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.491 -8.633 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.762 -9.574 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.603 -7.804 4.075 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.684 -8.714 7.547 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.277 -9.211 8.777 1.00 0.00 C ATOM 1433 C LEU A 98 -2.509 -10.450 9.243 1.00 0.00 C ATOM 1434 O LEU A 98 -2.340 -10.665 10.442 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.776 -9.451 8.590 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.706 -8.534 9.387 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -7.044 -8.352 8.668 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.889 -9.047 10.817 1.00 0.00 C ATOM 0 H LEU A 98 -3.322 -8.674 6.752 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.193 -8.467 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.012 -9.343 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.995 -10.483 8.862 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.240 -7.551 9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.686 -7.696 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.873 -7.909 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.528 -9.321 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.554 -8.377 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.322 -10.047 10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.921 -9.083 11.317 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.065 -11.232 8.270 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.319 -12.444 8.566 1.00 0.00 C ATOM 1452 C GLN A 99 -0.254 -12.686 7.495 1.00 0.00 C ATOM 1453 O GLN A 99 -0.358 -12.171 6.383 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.256 -13.648 8.690 1.00 0.00 C ATOM 1455 CG GLN A 99 -2.815 -14.050 7.324 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.671 -15.314 7.433 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -3.756 -15.950 8.471 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -4.299 -15.641 6.307 1.00 0.00 N ATOM 0 H GLN A 99 -2.207 -11.050 7.276 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.819 -12.315 9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.718 -14.488 9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.076 -13.407 9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.414 -13.235 6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.994 -14.221 6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.184 -15.065 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.895 -16.468 6.277 1.00 0.00 H new ATOM 1467 N PRO A 100 0.773 -13.492 7.878 1.00 0.00 N ATOM 1468 CA PRO A 100 1.857 -13.808 6.963 1.00 0.00 C ATOM 1469 C PRO A 100 1.407 -14.824 5.911 1.00 0.00 C ATOM 1470 O PRO A 100 0.289 -15.334 5.973 1.00 0.00 O ATOM 1471 CB PRO A 100 2.979 -14.327 7.847 1.00 0.00 C ATOM 1472 CG PRO A 100 2.326 -14.718 9.163 1.00 0.00 C ATOM 1473 CD PRO A 100 0.929 -14.119 9.187 1.00 0.00 C ATOM 0 HA PRO A 100 2.188 -12.943 6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.474 -15.182 7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.740 -13.562 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.278 -15.803 9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.913 -14.350 10.004 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.172 -14.886 9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.824 -13.390 9.990 1.00 0.00 H new ATOM 1481 N VAL A 101 2.301 -15.089 4.970 1.00 0.00 N ATOM 1482 CA VAL A 101 2.010 -16.034 3.906 1.00 0.00 C ATOM 1483 C VAL A 101 3.024 -17.179 3.955 1.00 0.00 C ATOM 1484 O VAL A 101 4.227 -16.943 4.057 1.00 0.00 O ATOM 1485 CB VAL A 101 1.987 -15.313 2.557 1.00 0.00 C ATOM 1486 CG1 VAL A 101 1.981 -16.315 1.400 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.792 -14.362 2.464 1.00 0.00 C ATOM 0 H VAL A 101 3.228 -14.665 4.922 1.00 0.00 H new ATOM 0 HA VAL A 101 1.020 -16.470 4.043 1.00 0.00 H new ATOM 0 HB VAL A 101 2.896 -14.717 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.965 -15.777 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.877 -16.934 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.097 -16.949 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.799 -13.862 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.133 -14.928 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.857 -13.617 3.257 1.00 0.00 H new ATOM 1497 N THR A 102 2.502 -18.394 3.880 1.00 0.00 N ATOM 1498 CA THR A 102 3.347 -19.575 3.915 1.00 0.00 C ATOM 1499 C THR A 102 4.040 -19.775 2.566 1.00 0.00 C ATOM 1500 O THR A 102 5.039 -20.486 2.476 1.00 0.00 O ATOM 1501 CB THR A 102 2.480 -20.764 4.335 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.784 -20.945 5.716 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.926 -22.074 3.681 1.00 0.00 C ATOM 0 H THR A 102 1.504 -18.586 3.795 1.00 0.00 H new ATOM 0 HA THR A 102 4.150 -19.466 4.644 1.00 0.00 H new ATOM 0 HB THR A 102 1.440 -20.564 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.263 -21.696 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.278 -22.885 4.013 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.863 -21.979 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.955 -22.292 3.967 1.00 0.00 H new ATOM 1511 N ILE A 103 3.481 -19.135 1.549 1.00 0.00 N ATOM 1512 CA ILE A 103 4.032 -19.234 0.208 1.00 0.00 C ATOM 1513 C ILE A 103 3.963 -20.689 -0.261 1.00 0.00 C ATOM 1514 O ILE A 103 4.795 -21.509 0.123 1.00 0.00 O ATOM 1515 CB ILE A 103 5.441 -18.640 0.163 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.439 -17.187 0.644 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.052 -18.781 -1.232 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.748 -16.275 -0.371 1.00 0.00 C ATOM 0 H ILE A 103 2.652 -18.546 1.627 1.00 0.00 H new ATOM 0 HA ILE A 103 3.440 -18.645 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 103 6.072 -19.206 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.930 -17.119 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.464 -16.851 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.053 -18.351 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.110 -19.836 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.429 -18.257 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.760 -15.248 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.274 -16.327 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.716 -16.599 -0.508 1.00 0.00 H new ATOM 1530 N ARG A 104 2.962 -20.964 -1.085 1.00 0.00 N ATOM 1531 CA ARG A 104 2.774 -22.305 -1.611 1.00 0.00 C ATOM 1532 C ARG A 104 1.594 -22.333 -2.585 1.00 0.00 C ATOM 1533 O ARG A 104 0.626 -21.594 -2.413 1.00 0.00 O ATOM 1534 CB ARG A 104 2.519 -23.308 -0.484 1.00 0.00 C ATOM 1535 CG ARG A 104 3.665 -24.317 -0.377 1.00 0.00 C ATOM 1536 CD ARG A 104 4.098 -24.503 1.078 1.00 0.00 C ATOM 1537 NE ARG A 104 3.139 -25.383 1.783 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.284 -25.788 3.052 1.00 0.00 C ATOM 1539 NH1 ARG A 104 4.350 -25.396 3.763 1.00 0.00 N ATOM 1540 NH2 ARG A 104 2.364 -26.586 3.610 1.00 0.00 N ATOM 0 H ARG A 104 2.273 -20.281 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 104 3.688 -22.587 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.408 -22.777 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.582 -23.835 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.351 -25.275 -0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.512 -23.975 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.097 -24.936 1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.151 -23.535 1.577 1.00 0.00 H new ATOM 0 HE ARG A 104 2.316 -25.701 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.051 -24.789 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.460 -25.704 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.553 -26.885 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.475 -26.894 4.576 1.00 0.00 H new ATOM 1554 N GLU A 105 1.715 -23.192 -3.586 1.00 0.00 N ATOM 1555 CA GLU A 105 0.671 -23.325 -4.588 1.00 0.00 C ATOM 1556 C GLU A 105 -0.227 -24.521 -4.263 1.00 0.00 C ATOM 1557 O GLU A 105 0.261 -25.578 -3.866 1.00 0.00 O ATOM 1558 CB GLU A 105 1.269 -23.454 -5.990 1.00 0.00 C ATOM 1559 CG GLU A 105 0.474 -22.628 -7.003 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.696 -23.434 -7.571 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -1.744 -23.468 -6.891 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -0.515 -23.998 -8.671 1.00 0.00 O ATOM 0 H GLU A 105 2.520 -23.803 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 105 0.061 -22.422 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.307 -23.121 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.273 -24.501 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.099 -21.723 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.130 -22.312 -7.814 1.00 0.00 H new