USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.63!,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0167 K(o=-0.017,f=-0.65) USER MOD Single : A 25 MET CE :methyl 133:sc= -0.47 (180deg=-1.81) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -42:sc= 1.29 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -158:sc= 0.5 USER MOD Single : A 50 SER OG : rot -91:sc= 1.26 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.8) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.901) USER MOD Single : A 63 TYR OH : rot 165:sc= -1.22 USER MOD Single : A 65 MET CE :methyl 136:sc= -0.646 (180deg=-1.78) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -4.8! C(o=-4.8!,f=-7.4!) USER MOD Single : A 84 GLN : amide:sc= 0.409 X(o=0.41,f=-0.075) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 77:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.378 9.462 5.635 1.00 0.00 N ATOM 85 CA ASP A 6 -9.033 8.216 5.301 1.00 0.00 C ATOM 86 C ASP A 6 -9.161 7.275 6.520 1.00 0.00 C ATOM 87 O ASP A 6 -8.201 7.096 7.281 1.00 0.00 O ATOM 88 CB ASP A 6 -8.252 7.536 4.191 1.00 0.00 C ATOM 89 CG ASP A 6 -8.984 6.370 3.615 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.925 5.293 4.193 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.656 6.547 2.577 1.00 0.00 O ATOM 0 HA ASP A 6 -10.047 8.440 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.044 8.258 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.290 7.202 4.579 1.00 0.00 H new ATOM 96 N PRO A 7 -10.364 6.702 6.758 1.00 0.00 N ATOM 97 CA PRO A 7 -10.600 5.760 7.866 1.00 0.00 C ATOM 98 C PRO A 7 -9.952 4.383 7.639 1.00 0.00 C ATOM 99 O PRO A 7 -9.590 3.693 8.580 1.00 0.00 O ATOM 100 CB PRO A 7 -12.130 5.614 7.911 1.00 0.00 C ATOM 101 CG PRO A 7 -12.670 6.660 6.993 1.00 0.00 C ATOM 102 CD PRO A 7 -11.597 6.937 5.990 1.00 0.00 C ATOM 0 HA PRO A 7 -10.160 6.133 8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.437 4.618 7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.506 5.753 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.580 6.314 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.929 7.564 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.669 6.274 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.650 7.958 5.613 1.00 0.00 H new ATOM 110 N GLU A 8 -9.807 3.992 6.405 1.00 0.00 N ATOM 111 CA GLU A 8 -9.260 2.691 6.080 1.00 0.00 C ATOM 112 C GLU A 8 -7.760 2.722 6.279 1.00 0.00 C ATOM 113 O GLU A 8 -7.130 1.733 6.665 1.00 0.00 O ATOM 114 CB GLU A 8 -9.678 2.308 4.668 1.00 0.00 C ATOM 115 CG GLU A 8 -11.168 2.479 4.512 1.00 0.00 C ATOM 116 CD GLU A 8 -11.742 1.976 3.222 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.928 0.755 3.090 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.138 2.799 2.369 1.00 0.00 O ATOM 0 H GLU A 8 -10.061 4.557 5.595 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.652 1.919 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.153 2.930 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.398 1.275 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.664 1.965 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.407 3.538 4.608 1.00 0.00 H new ATOM 125 N PHE A 9 -7.220 3.888 6.047 1.00 0.00 N ATOM 126 CA PHE A 9 -5.808 4.179 6.287 1.00 0.00 C ATOM 127 C PHE A 9 -5.455 3.954 7.769 1.00 0.00 C ATOM 128 O PHE A 9 -4.417 3.357 8.090 1.00 0.00 O ATOM 129 CB PHE A 9 -5.487 5.622 5.869 1.00 0.00 C ATOM 130 CG PHE A 9 -4.039 6.018 5.998 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.166 5.831 4.943 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.555 6.591 7.170 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.845 6.207 5.047 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.233 6.966 7.280 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.378 6.775 6.218 1.00 0.00 C ATOM 0 H PHE A 9 -7.745 4.682 5.681 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.204 3.500 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.794 5.760 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.088 6.301 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.524 5.385 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.224 6.744 8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.174 6.058 4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.869 7.408 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.342 7.069 6.300 1.00 0.00 H new ATOM 145 N VAL A 10 -6.322 4.405 8.676 1.00 0.00 N ATOM 146 CA VAL A 10 -6.065 4.207 10.097 1.00 0.00 C ATOM 147 C VAL A 10 -6.164 2.715 10.451 1.00 0.00 C ATOM 148 O VAL A 10 -5.420 2.220 11.297 1.00 0.00 O ATOM 149 CB VAL A 10 -6.908 5.125 11.065 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.379 4.773 11.100 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.317 5.131 12.469 1.00 0.00 C ATOM 0 H VAL A 10 -7.188 4.898 8.457 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.042 4.541 10.270 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.846 6.132 10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.897 5.444 11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.802 4.877 10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.499 3.744 11.439 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.918 5.772 13.114 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.314 4.116 12.867 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.295 5.510 12.432 1.00 0.00 H new ATOM 161 N LYS A 11 -7.060 1.996 9.770 1.00 0.00 N ATOM 162 CA LYS A 11 -7.164 0.541 9.939 1.00 0.00 C ATOM 163 C LYS A 11 -5.831 -0.127 9.582 1.00 0.00 C ATOM 164 O LYS A 11 -5.402 -1.071 10.242 1.00 0.00 O ATOM 165 CB LYS A 11 -8.282 -0.046 9.078 1.00 0.00 C ATOM 166 CG LYS A 11 -9.663 0.452 9.434 1.00 0.00 C ATOM 167 CD LYS A 11 -10.728 -0.202 8.575 1.00 0.00 C ATOM 168 CE LYS A 11 -12.102 0.302 8.957 1.00 0.00 C ATOM 169 NZ LYS A 11 -13.180 -0.328 8.168 1.00 0.00 N ATOM 0 H LYS A 11 -7.720 2.392 9.101 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.403 0.345 10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.082 0.188 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.264 -1.132 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.865 0.247 10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.705 1.534 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.536 0.010 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.685 -1.285 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.273 0.110 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.140 1.382 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.099 0.053 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.036 -0.124 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.165 -1.357 8.319 1.00 0.00 H new ATOM 183 N LEU A 12 -5.173 0.393 8.552 1.00 0.00 N ATOM 184 CA LEU A 12 -3.850 -0.081 8.141 1.00 0.00 C ATOM 185 C LEU A 12 -2.810 0.217 9.221 1.00 0.00 C ATOM 186 O LEU A 12 -1.928 -0.598 9.497 1.00 0.00 O ATOM 187 CB LEU A 12 -3.433 0.570 6.825 1.00 0.00 C ATOM 188 CG LEU A 12 -4.245 0.207 5.594 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.794 1.049 4.425 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.072 -1.259 5.263 1.00 0.00 C ATOM 0 H LEU A 12 -5.538 1.153 7.978 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.907 -1.160 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.475 1.652 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.392 0.312 6.633 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.299 0.399 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.377 0.788 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.941 2.104 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.738 0.864 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.660 -1.504 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.020 -1.466 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.411 -1.864 6.104 1.00 0.00 H new ATOM 202 N ARG A 13 -2.937 1.381 9.841 1.00 0.00 N ATOM 203 CA ARG A 13 -2.058 1.786 10.942 1.00 0.00 C ATOM 204 C ARG A 13 -2.196 0.824 12.121 1.00 0.00 C ATOM 205 O ARG A 13 -1.207 0.465 12.769 1.00 0.00 O ATOM 206 CB ARG A 13 -2.361 3.230 11.381 1.00 0.00 C ATOM 207 CG ARG A 13 -1.910 4.303 10.389 1.00 0.00 C ATOM 208 CD ARG A 13 -0.383 4.395 10.336 1.00 0.00 C ATOM 209 NE ARG A 13 0.170 4.826 11.628 1.00 0.00 N ATOM 210 CZ ARG A 13 0.885 4.066 12.475 1.00 0.00 C ATOM 211 NH1 ARG A 13 1.324 2.855 12.103 1.00 0.00 N ATOM 212 NH2 ARG A 13 1.213 4.549 13.670 1.00 0.00 N ATOM 0 H ARG A 13 -3.647 2.073 9.601 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.028 1.749 10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.435 3.330 11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.877 3.414 12.340 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.298 4.072 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.326 5.268 10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.033 3.425 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.085 5.098 9.558 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.005 5.791 11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.116 2.502 11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.866 2.287 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.922 5.489 13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.755 3.979 14.319 1.00 0.00 H new ATOM 226 N GLN A 14 -3.415 0.389 12.367 1.00 0.00 N ATOM 227 CA GLN A 14 -3.702 -0.560 13.435 1.00 0.00 C ATOM 228 C GLN A 14 -3.269 -1.970 13.042 1.00 0.00 C ATOM 229 O GLN A 14 -2.952 -2.799 13.905 1.00 0.00 O ATOM 230 CB GLN A 14 -5.187 -0.556 13.769 1.00 0.00 C ATOM 231 CG GLN A 14 -5.707 0.779 14.261 1.00 0.00 C ATOM 232 CD GLN A 14 -7.194 0.766 14.585 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.955 -0.068 13.922 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.644 1.499 15.464 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.236 0.680 11.836 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.137 -0.252 14.315 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.749 -0.848 12.882 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.379 -1.312 14.531 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.151 1.071 15.152 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.515 1.538 13.502 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.024 2.138 15.962 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.637 1.468 15.695 1.00 0.00 H new ATOM 314 N VAL A 19 3.089 -7.523 6.958 1.00 0.00 N ATOM 315 CA VAL A 19 3.407 -7.894 5.603 1.00 0.00 C ATOM 316 C VAL A 19 4.903 -7.775 5.361 1.00 0.00 C ATOM 317 O VAL A 19 5.616 -7.125 6.154 1.00 0.00 O ATOM 318 CB VAL A 19 2.663 -6.957 4.625 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.166 -7.132 4.758 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.033 -5.502 4.900 1.00 0.00 C ATOM 0 HA VAL A 19 3.098 -8.927 5.440 1.00 0.00 H new ATOM 0 HB VAL A 19 2.962 -7.218 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.658 -6.464 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.899 -8.164 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.861 -6.894 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.501 -4.854 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.755 -5.243 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.107 -5.369 4.772 1.00 0.00 H new ATOM 330 N ASN A 20 5.382 -8.391 4.297 1.00 0.00 N ATOM 331 CA ASN A 20 6.785 -8.263 3.929 1.00 0.00 C ATOM 332 C ASN A 20 7.038 -6.883 3.366 1.00 0.00 C ATOM 333 O ASN A 20 6.629 -6.588 2.239 1.00 0.00 O ATOM 334 CB ASN A 20 7.233 -9.337 2.921 1.00 0.00 C ATOM 335 CG ASN A 20 7.378 -10.722 3.527 1.00 0.00 C ATOM 336 OD1 ASN A 20 6.367 -11.551 3.406 1.00 0.00 O flip ATOM 337 ND2 ASN A 20 8.430 -11.065 4.055 1.00 0.00 N flip ATOM 0 H ASN A 20 4.829 -8.981 3.675 1.00 0.00 H new ATOM 0 HA ASN A 20 7.375 -8.412 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.511 -9.381 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.187 -9.039 2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.200 -10.401 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.535 -12.014 4.413 1.00 0.00 H new ATOM 344 N PHE A 21 7.716 -6.043 4.150 1.00 0.00 N ATOM 345 CA PHE A 21 7.964 -4.637 3.803 1.00 0.00 C ATOM 346 C PHE A 21 8.575 -4.468 2.414 1.00 0.00 C ATOM 347 O PHE A 21 8.081 -3.676 1.599 1.00 0.00 O ATOM 348 CB PHE A 21 8.862 -3.949 4.859 1.00 0.00 C ATOM 349 CG PHE A 21 9.267 -2.542 4.472 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.397 -1.485 4.643 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.514 -2.291 3.910 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.753 -0.210 4.257 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.874 -1.021 3.529 1.00 0.00 C ATOM 354 CZ PHE A 21 9.993 0.020 3.700 1.00 0.00 C ATOM 0 H PHE A 21 8.112 -6.318 5.049 1.00 0.00 H new ATOM 0 HA PHE A 21 6.987 -4.154 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.334 -3.919 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.759 -4.550 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.426 -1.658 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.209 -3.106 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.061 0.608 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.847 -0.841 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.272 1.019 3.398 1.00 0.00 H new ATOM 364 N ASN A 22 9.604 -5.239 2.133 1.00 0.00 N ATOM 365 CA ASN A 22 10.344 -5.106 0.881 1.00 0.00 C ATOM 366 C ASN A 22 9.493 -5.541 -0.277 1.00 0.00 C ATOM 367 O ASN A 22 9.641 -5.045 -1.404 1.00 0.00 O ATOM 368 CB ASN A 22 11.647 -5.918 0.881 1.00 0.00 C ATOM 369 CG ASN A 22 12.623 -5.527 1.975 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.670 -4.376 2.426 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.400 -6.475 2.414 1.00 0.00 N ATOM 0 H ASN A 22 9.954 -5.970 2.753 1.00 0.00 H new ATOM 0 HA ASN A 22 10.604 -4.052 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.403 -6.975 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.136 -5.800 -0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.075 -6.280 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.334 -7.413 2.019 1.00 0.00 H new ATOM 378 N LEU A 23 8.594 -6.461 -0.010 1.00 0.00 N ATOM 379 CA LEU A 23 7.735 -6.967 -1.035 1.00 0.00 C ATOM 380 C LEU A 23 6.632 -5.969 -1.324 1.00 0.00 C ATOM 381 O LEU A 23 6.334 -5.713 -2.473 1.00 0.00 O ATOM 382 CB LEU A 23 7.196 -8.356 -0.686 1.00 0.00 C ATOM 383 CG LEU A 23 6.329 -9.043 -1.754 1.00 0.00 C ATOM 384 CD1 LEU A 23 7.053 -9.107 -3.093 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.989 -10.441 -1.305 1.00 0.00 C ATOM 0 H LEU A 23 8.445 -6.869 0.913 1.00 0.00 H new ATOM 0 HA LEU A 23 8.316 -7.094 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.043 -9.005 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.609 -8.274 0.229 1.00 0.00 H new ATOM 0 HG LEU A 23 5.418 -8.458 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.415 -9.598 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.284 -8.097 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.978 -9.672 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.374 -10.927 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.907 -11.011 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.439 -10.398 -0.365 1.00 0.00 H new ATOM 397 N VAL A 24 6.071 -5.371 -0.274 1.00 0.00 N ATOM 398 CA VAL A 24 5.024 -4.341 -0.423 1.00 0.00 C ATOM 399 C VAL A 24 5.575 -3.158 -1.177 1.00 0.00 C ATOM 400 O VAL A 24 4.939 -2.641 -2.094 1.00 0.00 O ATOM 401 CB VAL A 24 4.492 -3.849 0.941 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.407 -2.787 0.768 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.958 -5.003 1.719 1.00 0.00 C ATOM 0 H VAL A 24 6.319 -5.577 0.694 1.00 0.00 H new ATOM 0 HA VAL A 24 4.199 -4.799 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 24 5.320 -3.394 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.055 -2.463 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.817 -1.933 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.574 -3.206 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.584 -4.652 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.146 -5.472 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.753 -5.730 1.883 1.00 0.00 H new ATOM 413 N MET A 25 6.782 -2.764 -0.806 1.00 0.00 N ATOM 414 CA MET A 25 7.490 -1.678 -1.458 1.00 0.00 C ATOM 415 C MET A 25 7.617 -1.971 -2.957 1.00 0.00 C ATOM 416 O MET A 25 7.471 -1.076 -3.788 1.00 0.00 O ATOM 417 CB MET A 25 8.863 -1.498 -0.795 1.00 0.00 C ATOM 418 CG MET A 25 9.731 -0.386 -1.365 1.00 0.00 C ATOM 419 SD MET A 25 11.336 -0.290 -0.534 1.00 0.00 S ATOM 420 CE MET A 25 12.004 -1.905 -0.924 1.00 0.00 C ATOM 0 H MET A 25 7.300 -3.192 -0.039 1.00 0.00 H new ATOM 0 HA MET A 25 6.935 -0.746 -1.348 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.711 -1.306 0.267 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.410 -2.437 -0.874 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.884 -0.555 -2.431 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.212 0.567 -1.264 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.031 -1.799 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.987 -2.531 -0.032 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.401 -2.370 -1.704 1.00 0.00 H new ATOM 430 N GLN A 26 7.816 -3.242 -3.287 1.00 0.00 N ATOM 431 CA GLN A 26 7.899 -3.678 -4.666 1.00 0.00 C ATOM 432 C GLN A 26 6.508 -3.721 -5.321 1.00 0.00 C ATOM 433 O GLN A 26 6.377 -3.381 -6.476 1.00 0.00 O ATOM 434 CB GLN A 26 8.588 -5.037 -4.781 1.00 0.00 C ATOM 435 CG GLN A 26 8.692 -5.545 -6.210 1.00 0.00 C ATOM 436 CD GLN A 26 9.353 -6.895 -6.324 1.00 0.00 C ATOM 437 OE1 GLN A 26 9.272 -7.735 -5.420 1.00 0.00 O ATOM 438 NE2 GLN A 26 10.009 -7.118 -7.421 1.00 0.00 N ATOM 0 H GLN A 26 7.923 -3.993 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 26 8.505 -2.947 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.589 -4.965 -4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.039 -5.765 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.692 -5.602 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.254 -4.823 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.053 -6.400 -8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.481 -8.012 -7.560 1.00 0.00 H new ATOM 447 N ILE A 27 5.488 -4.149 -4.570 1.00 0.00 N ATOM 448 CA ILE A 27 4.089 -4.185 -5.061 1.00 0.00 C ATOM 449 C ILE A 27 3.688 -2.782 -5.509 1.00 0.00 C ATOM 450 O ILE A 27 3.222 -2.570 -6.641 1.00 0.00 O ATOM 451 CB ILE A 27 3.086 -4.647 -3.935 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.416 -6.060 -3.400 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.628 -4.575 -4.403 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.342 -7.171 -4.426 1.00 0.00 C ATOM 0 H ILE A 27 5.597 -4.480 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 27 4.040 -4.898 -5.884 1.00 0.00 H new ATOM 0 HB ILE A 27 3.211 -3.945 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.420 -6.045 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.729 -6.292 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.971 -4.902 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.384 -3.549 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.491 -5.223 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.590 -8.121 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.333 -7.222 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.050 -6.971 -5.231 1.00 0.00 H new ATOM 466 N LEU A 28 3.931 -1.839 -4.622 1.00 0.00 N ATOM 467 CA LEU A 28 3.636 -0.441 -4.836 1.00 0.00 C ATOM 468 C LEU A 28 4.434 0.093 -6.028 1.00 0.00 C ATOM 469 O LEU A 28 3.909 0.783 -6.882 1.00 0.00 O ATOM 470 CB LEU A 28 3.993 0.327 -3.572 1.00 0.00 C ATOM 471 CG LEU A 28 3.244 -0.084 -2.295 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.796 0.656 -1.103 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.748 0.172 -2.426 1.00 0.00 C ATOM 0 H LEU A 28 4.349 -2.030 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 28 2.576 -0.315 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.062 0.215 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.809 1.386 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 28 3.392 -1.154 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.256 0.355 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.854 0.420 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.678 1.729 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.246 -0.129 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.575 1.233 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.352 -0.405 -3.262 1.00 0.00 H new ATOM 485 N ASP A 29 5.689 -0.291 -6.084 1.00 0.00 N ATOM 486 CA ASP A 29 6.607 0.091 -7.168 1.00 0.00 C ATOM 487 C ASP A 29 6.114 -0.440 -8.497 1.00 0.00 C ATOM 488 O ASP A 29 6.028 0.284 -9.481 1.00 0.00 O ATOM 489 CB ASP A 29 7.965 -0.527 -6.884 1.00 0.00 C ATOM 490 CG ASP A 29 9.014 -0.233 -7.936 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.430 0.938 -8.082 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.462 -1.186 -8.611 1.00 0.00 O ATOM 0 H ASP A 29 6.120 -0.885 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 29 6.666 1.178 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.322 -0.165 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.849 -1.607 -6.795 1.00 0.00 H new ATOM 497 N GLU A 30 5.774 -1.700 -8.487 1.00 0.00 N ATOM 498 CA GLU A 30 5.360 -2.434 -9.670 1.00 0.00 C ATOM 499 C GLU A 30 4.071 -1.847 -10.277 1.00 0.00 C ATOM 500 O GLU A 30 3.948 -1.754 -11.496 1.00 0.00 O ATOM 501 CB GLU A 30 5.208 -3.920 -9.322 1.00 0.00 C ATOM 502 CG GLU A 30 5.418 -4.868 -10.483 1.00 0.00 C ATOM 503 CD GLU A 30 5.491 -6.309 -10.030 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.595 -6.781 -9.670 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.467 -6.996 -10.011 1.00 0.00 O ATOM 0 H GLU A 30 5.774 -2.266 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 30 6.129 -2.336 -10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.919 -4.169 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.211 -4.083 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.603 -4.753 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.338 -4.605 -11.005 1.00 0.00 H new ATOM 512 N ILE A 31 3.119 -1.447 -9.431 1.00 0.00 N ATOM 513 CA ILE A 31 1.902 -0.803 -9.941 1.00 0.00 C ATOM 514 C ILE A 31 2.224 0.629 -10.402 1.00 0.00 C ATOM 515 O ILE A 31 1.724 1.098 -11.423 1.00 0.00 O ATOM 516 CB ILE A 31 0.718 -0.780 -8.906 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.068 0.037 -7.657 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.329 -2.191 -8.512 1.00 0.00 C ATOM 519 CD1 ILE A 31 -0.048 0.167 -6.652 1.00 0.00 C ATOM 0 H ILE A 31 3.161 -1.552 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 31 1.562 -1.407 -10.782 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.129 -0.298 -9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.926 -0.423 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.376 1.035 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.492 -2.156 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.014 -2.742 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.185 -2.691 -8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.293 0.761 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.902 0.658 -7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.343 -0.824 -6.306 1.00 0.00 H new ATOM 531 N GLU A 32 3.099 1.285 -9.647 1.00 0.00 N ATOM 532 CA GLU A 32 3.516 2.648 -9.893 1.00 0.00 C ATOM 533 C GLU A 32 4.155 2.779 -11.268 1.00 0.00 C ATOM 534 O GLU A 32 3.751 3.613 -12.069 1.00 0.00 O ATOM 535 CB GLU A 32 4.520 3.067 -8.828 1.00 0.00 C ATOM 536 CG GLU A 32 5.000 4.476 -8.955 1.00 0.00 C ATOM 537 CD GLU A 32 6.108 4.796 -8.009 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.848 5.016 -6.810 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.285 4.815 -8.451 1.00 0.00 O ATOM 0 H GLU A 32 3.544 0.868 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 32 2.638 3.293 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.065 2.938 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.379 2.398 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.339 4.649 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.167 5.156 -8.776 1.00 0.00 H new ATOM 546 N LEU A 33 5.137 1.934 -11.530 1.00 0.00 N ATOM 547 CA LEU A 33 5.875 1.958 -12.782 1.00 0.00 C ATOM 548 C LEU A 33 5.027 1.537 -13.972 1.00 0.00 C ATOM 549 O LEU A 33 5.269 1.980 -15.094 1.00 0.00 O ATOM 550 CB LEU A 33 7.194 1.140 -12.676 1.00 0.00 C ATOM 551 CG LEU A 33 7.101 -0.360 -12.290 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.660 -1.241 -13.446 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.411 -0.849 -11.729 1.00 0.00 C ATOM 0 H LEU A 33 5.446 1.211 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 33 6.151 2.996 -12.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.703 1.205 -13.637 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.833 1.633 -11.943 1.00 0.00 H new ATOM 0 HG LEU A 33 6.331 -0.435 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.613 -2.279 -13.115 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.675 -0.925 -13.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.375 -1.153 -14.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.323 -1.903 -11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.195 -0.726 -12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.664 -0.272 -10.839 1.00 0.00 H new ATOM 565 N ASP A 34 4.034 0.693 -13.726 1.00 0.00 N ATOM 566 CA ASP A 34 3.165 0.223 -14.803 1.00 0.00 C ATOM 567 C ASP A 34 2.268 1.345 -15.284 1.00 0.00 C ATOM 568 O ASP A 34 2.099 1.553 -16.493 1.00 0.00 O ATOM 569 CB ASP A 34 2.336 -0.992 -14.381 1.00 0.00 C ATOM 570 CG ASP A 34 1.465 -1.517 -15.507 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.987 -2.269 -16.377 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.258 -1.214 -15.535 1.00 0.00 O ATOM 0 H ASP A 34 3.810 0.322 -12.803 1.00 0.00 H new ATOM 0 HA ASP A 34 3.804 -0.095 -15.627 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.004 -1.784 -14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.706 -0.722 -13.534 1.00 0.00 H new ATOM 577 N LEU A 35 1.714 2.077 -14.338 1.00 0.00 N ATOM 578 CA LEU A 35 0.905 3.228 -14.645 1.00 0.00 C ATOM 579 C LEU A 35 1.817 4.322 -15.186 1.00 0.00 C ATOM 580 O LEU A 35 1.633 4.798 -16.325 1.00 0.00 O ATOM 581 CB LEU A 35 0.152 3.700 -13.363 1.00 0.00 C ATOM 582 CG LEU A 35 -0.916 4.831 -13.489 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.695 4.930 -12.211 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.308 6.200 -13.779 1.00 0.00 C ATOM 0 H LEU A 35 1.814 1.888 -13.341 1.00 0.00 H new ATOM 0 HA LEU A 35 0.155 2.983 -15.397 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.340 2.829 -12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.901 4.033 -12.644 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.554 4.561 -14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.441 5.720 -12.300 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.194 3.981 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.018 5.161 -11.389 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.103 6.942 -13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.370 6.476 -12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.244 6.162 -14.718 1.00 0.00 H new ATOM 664 N ILE A 41 -4.302 2.809 -12.561 1.00 0.00 N ATOM 665 CA ILE A 41 -3.763 2.151 -11.406 1.00 0.00 C ATOM 666 C ILE A 41 -4.439 0.804 -11.164 1.00 0.00 C ATOM 667 O ILE A 41 -3.775 -0.155 -10.815 1.00 0.00 O ATOM 668 CB ILE A 41 -3.862 3.035 -10.140 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.256 2.307 -8.941 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.306 3.458 -9.874 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.289 3.091 -7.673 1.00 0.00 C ATOM 0 HA ILE A 41 -2.707 1.974 -11.611 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.289 3.947 -10.306 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.791 1.370 -8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.222 2.050 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.344 4.078 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.681 4.026 -10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.924 2.572 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.841 2.505 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.728 4.017 -7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.322 3.325 -7.417 1.00 0.00 H new ATOM 683 N LYS A 42 -5.759 0.725 -11.390 1.00 0.00 N ATOM 684 CA LYS A 42 -6.473 -0.527 -11.169 1.00 0.00 C ATOM 685 C LYS A 42 -5.979 -1.594 -12.131 1.00 0.00 C ATOM 686 O LYS A 42 -5.920 -2.767 -11.785 1.00 0.00 O ATOM 687 CB LYS A 42 -7.995 -0.365 -11.284 1.00 0.00 C ATOM 688 CG LYS A 42 -8.476 0.119 -12.640 1.00 0.00 C ATOM 689 CD LYS A 42 -9.988 0.114 -12.758 1.00 0.00 C ATOM 690 CE LYS A 42 -10.551 -1.299 -12.702 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.008 -1.320 -12.940 1.00 0.00 N ATOM 0 H LYS A 42 -6.337 1.498 -11.718 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.263 -0.839 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.467 -1.323 -11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.332 0.337 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.105 1.129 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.052 -0.515 -13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.418 0.710 -11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.282 0.586 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.052 -1.918 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.336 -1.737 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.353 -2.300 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.487 -0.750 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.212 -0.925 -13.880 1.00 0.00 H new ATOM 705 N THR A 43 -5.594 -1.166 -13.315 1.00 0.00 N ATOM 706 CA THR A 43 -5.076 -2.044 -14.310 1.00 0.00 C ATOM 707 C THR A 43 -3.722 -2.589 -13.835 1.00 0.00 C ATOM 708 O THR A 43 -3.465 -3.815 -13.868 1.00 0.00 O ATOM 709 CB THR A 43 -4.913 -1.290 -15.632 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.144 -0.592 -15.922 1.00 0.00 O ATOM 711 CG2 THR A 43 -4.625 -2.258 -16.763 1.00 0.00 C ATOM 0 H THR A 43 -5.637 -0.189 -13.604 1.00 0.00 H new ATOM 0 HA THR A 43 -5.764 -2.874 -14.469 1.00 0.00 H new ATOM 0 HB THR A 43 -4.082 -0.590 -15.542 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.052 -0.103 -16.766 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.512 -1.705 -17.695 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.705 -2.803 -16.550 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.451 -2.963 -16.857 1.00 0.00 H new ATOM 719 N SER A 44 -2.896 -1.683 -13.331 1.00 0.00 N ATOM 720 CA SER A 44 -1.609 -2.018 -12.789 1.00 0.00 C ATOM 721 C SER A 44 -1.759 -2.980 -11.579 1.00 0.00 C ATOM 722 O SER A 44 -1.001 -3.957 -11.447 1.00 0.00 O ATOM 723 CB SER A 44 -0.904 -0.729 -12.401 1.00 0.00 C ATOM 724 OG SER A 44 -0.868 0.160 -13.511 1.00 0.00 O ATOM 0 H SER A 44 -3.113 -0.687 -13.292 1.00 0.00 H new ATOM 0 HA SER A 44 -1.010 -2.542 -13.534 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.422 -0.259 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.110 -0.946 -12.066 1.00 0.00 H new ATOM 0 HG SER A 44 -0.645 -0.340 -14.324 1.00 0.00 H new ATOM 730 N ILE A 45 -2.776 -2.711 -10.731 1.00 0.00 N ATOM 731 CA ILE A 45 -3.129 -3.557 -9.574 1.00 0.00 C ATOM 732 C ILE A 45 -3.338 -5.003 -10.029 1.00 0.00 C ATOM 733 O ILE A 45 -2.828 -5.941 -9.404 1.00 0.00 O ATOM 734 CB ILE A 45 -4.450 -3.048 -8.866 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.263 -1.671 -8.193 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.994 -4.060 -7.856 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.301 -1.660 -7.021 1.00 0.00 C ATOM 0 H ILE A 45 -3.378 -1.894 -10.833 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.306 -3.500 -8.861 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.186 -2.936 -9.662 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.909 -0.962 -8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.235 -1.315 -7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.900 -3.665 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.224 -4.996 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.246 -4.242 -7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.235 -0.651 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.661 -2.340 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.315 -1.981 -7.357 1.00 0.00 H new ATOM 749 N ILE A 46 -4.055 -5.162 -11.144 1.00 0.00 N ATOM 750 CA ILE A 46 -4.386 -6.470 -11.694 1.00 0.00 C ATOM 751 C ILE A 46 -3.137 -7.325 -11.923 1.00 0.00 C ATOM 752 O ILE A 46 -3.059 -8.438 -11.412 1.00 0.00 O ATOM 753 CB ILE A 46 -5.208 -6.358 -13.020 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.549 -5.655 -12.755 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.445 -7.740 -13.639 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.403 -5.440 -13.992 1.00 0.00 C ATOM 0 H ILE A 46 -4.422 -4.382 -11.689 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.009 -6.964 -10.948 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.631 -5.764 -13.729 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.117 -6.244 -12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.352 -4.688 -12.292 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.019 -7.633 -14.560 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.486 -8.208 -13.861 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.999 -8.363 -12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.329 -4.938 -13.712 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.859 -4.824 -14.707 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.635 -6.403 -14.446 1.00 0.00 H new ATOM 768 N TYR A 47 -2.148 -6.786 -12.633 1.00 0.00 N ATOM 769 CA TYR A 47 -0.935 -7.563 -12.966 1.00 0.00 C ATOM 770 C TYR A 47 -0.184 -7.975 -11.717 1.00 0.00 C ATOM 771 O TYR A 47 0.195 -9.123 -11.554 1.00 0.00 O ATOM 772 CB TYR A 47 0.051 -6.769 -13.812 1.00 0.00 C ATOM 773 CG TYR A 47 -0.513 -6.090 -15.003 1.00 0.00 C ATOM 774 CD1 TYR A 47 -0.951 -6.797 -16.105 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.601 -4.728 -15.021 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.464 -6.140 -17.198 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.105 -4.062 -16.092 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.540 -4.770 -17.186 1.00 0.00 C ATOM 779 OH TYR A 47 -2.046 -4.105 -18.277 1.00 0.00 O ATOM 0 H TYR A 47 -2.152 -5.830 -12.988 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.296 -8.430 -13.519 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.520 -6.017 -13.178 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.841 -7.444 -14.143 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.890 -7.875 -16.108 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.262 -4.167 -14.163 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.804 -6.697 -18.058 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.163 -2.984 -16.084 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.032 -3.140 -18.107 1.00 0.00 H new ATOM 789 N VAL A 48 -0.020 -7.034 -10.833 1.00 0.00 N ATOM 790 CA VAL A 48 0.805 -7.206 -9.671 1.00 0.00 C ATOM 791 C VAL A 48 0.177 -8.165 -8.678 1.00 0.00 C ATOM 792 O VAL A 48 0.835 -9.091 -8.201 1.00 0.00 O ATOM 793 CB VAL A 48 1.122 -5.845 -9.023 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.034 -6.000 -7.819 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.755 -4.932 -10.057 1.00 0.00 C ATOM 0 H VAL A 48 -0.460 -6.116 -10.899 1.00 0.00 H new ATOM 0 HA VAL A 48 1.747 -7.652 -9.991 1.00 0.00 H new ATOM 0 HB VAL A 48 0.190 -5.404 -8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.236 -5.020 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.549 -6.631 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.972 -6.460 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.981 -3.968 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.676 -5.383 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.064 -4.788 -10.887 1.00 0.00 H new ATOM 805 N TYR A 49 -1.098 -7.993 -8.408 1.00 0.00 N ATOM 806 CA TYR A 49 -1.780 -8.866 -7.468 1.00 0.00 C ATOM 807 C TYR A 49 -1.844 -10.288 -7.987 1.00 0.00 C ATOM 808 O TYR A 49 -1.621 -11.228 -7.243 1.00 0.00 O ATOM 809 CB TYR A 49 -3.183 -8.358 -7.104 1.00 0.00 C ATOM 810 CG TYR A 49 -3.225 -7.164 -6.152 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.156 -6.283 -6.028 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.347 -6.939 -5.367 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.209 -5.212 -5.154 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.409 -5.871 -4.493 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.341 -5.010 -4.391 1.00 0.00 C ATOM 816 OH TYR A 49 -3.400 -3.949 -3.518 1.00 0.00 O ATOM 0 H TYR A 49 -1.682 -7.265 -8.819 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.188 -8.858 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.701 -8.086 -8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.742 -9.179 -6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.269 -6.438 -6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.188 -7.612 -5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.369 -4.538 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.292 -5.713 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.067 -4.133 -2.824 1.00 0.00 H new ATOM 826 N SER A 50 -2.066 -10.431 -9.278 1.00 0.00 N ATOM 827 CA SER A 50 -2.194 -11.736 -9.893 1.00 0.00 C ATOM 828 C SER A 50 -0.831 -12.447 -10.010 1.00 0.00 C ATOM 829 O SER A 50 -0.754 -13.675 -10.139 1.00 0.00 O ATOM 830 CB SER A 50 -2.876 -11.595 -11.257 1.00 0.00 C ATOM 831 OG SER A 50 -2.123 -10.776 -12.135 1.00 0.00 O ATOM 0 H SER A 50 -2.162 -9.650 -9.927 1.00 0.00 H new ATOM 0 HA SER A 50 -2.816 -12.363 -9.254 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.008 -12.581 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.871 -11.169 -11.125 1.00 0.00 H new ATOM 0 HG SER A 50 -2.417 -9.845 -12.047 1.00 0.00 H new ATOM 837 N SER A 51 0.231 -11.676 -9.981 1.00 0.00 N ATOM 838 CA SER A 51 1.559 -12.210 -10.109 1.00 0.00 C ATOM 839 C SER A 51 2.181 -12.490 -8.718 1.00 0.00 C ATOM 840 O SER A 51 3.105 -13.295 -8.584 1.00 0.00 O ATOM 841 CB SER A 51 2.414 -11.214 -10.915 1.00 0.00 C ATOM 842 OG SER A 51 3.704 -11.715 -11.211 1.00 0.00 O ATOM 0 H SER A 51 0.195 -10.663 -9.868 1.00 0.00 H new ATOM 0 HA SER A 51 1.522 -13.163 -10.637 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.901 -10.971 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.510 -10.285 -10.352 1.00 0.00 H new ATOM 0 HG SER A 51 4.205 -11.047 -11.724 1.00 0.00 H new ATOM 848 N HIS A 52 1.655 -11.859 -7.688 1.00 0.00 N ATOM 849 CA HIS A 52 2.218 -11.992 -6.343 1.00 0.00 C ATOM 850 C HIS A 52 1.139 -12.480 -5.378 1.00 0.00 C ATOM 851 O HIS A 52 1.113 -12.084 -4.209 1.00 0.00 O ATOM 852 CB HIS A 52 2.782 -10.636 -5.849 1.00 0.00 C ATOM 853 CG HIS A 52 3.882 -10.031 -6.699 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.220 -10.095 -6.377 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.818 -9.287 -7.828 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.916 -9.410 -7.267 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.085 -8.916 -8.153 1.00 0.00 N ATOM 0 H HIS A 52 0.840 -11.248 -7.747 1.00 0.00 H new ATOM 0 HA HIS A 52 3.032 -12.716 -6.379 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.960 -9.922 -5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.163 -10.769 -4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.921 -9.033 -8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.988 -9.279 -7.265 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.347 -8.345 -8.957 1.00 0.00 H new ATOM 866 N LEU A 53 0.309 -13.402 -5.867 1.00 0.00 N ATOM 867 CA LEU A 53 -0.876 -13.934 -5.152 1.00 0.00 C ATOM 868 C LEU A 53 -0.599 -14.383 -3.722 1.00 0.00 C ATOM 869 O LEU A 53 -1.438 -14.189 -2.850 1.00 0.00 O ATOM 870 CB LEU A 53 -1.491 -15.106 -5.924 1.00 0.00 C ATOM 871 CG LEU A 53 -2.131 -14.779 -7.268 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.483 -16.056 -8.002 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.386 -13.938 -7.071 1.00 0.00 C ATOM 0 H LEU A 53 0.435 -13.816 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.570 -13.095 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.712 -15.850 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.247 -15.571 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.415 -14.210 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.940 -15.811 -8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.578 -16.640 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.185 -16.638 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.830 -13.714 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.102 -14.490 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.125 -13.007 -6.568 1.00 0.00 H new ATOM 885 N ASP A 54 0.567 -14.964 -3.486 1.00 0.00 N ATOM 886 CA ASP A 54 0.908 -15.517 -2.156 1.00 0.00 C ATOM 887 C ASP A 54 0.802 -14.480 -1.059 1.00 0.00 C ATOM 888 O ASP A 54 0.110 -14.693 -0.072 1.00 0.00 O ATOM 889 CB ASP A 54 2.323 -16.108 -2.115 1.00 0.00 C ATOM 890 CG ASP A 54 2.512 -17.315 -2.983 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.854 -17.154 -4.171 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.359 -18.454 -2.494 1.00 0.00 O ATOM 0 H ASP A 54 1.301 -15.072 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 54 0.178 -16.308 -1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.034 -15.340 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.564 -16.374 -1.086 1.00 0.00 H new ATOM 897 N GLU A 55 1.441 -13.343 -1.256 1.00 0.00 N ATOM 898 CA GLU A 55 1.436 -12.288 -0.257 1.00 0.00 C ATOM 899 C GLU A 55 0.053 -11.626 -0.244 1.00 0.00 C ATOM 900 O GLU A 55 -0.481 -11.289 0.818 1.00 0.00 O ATOM 901 CB GLU A 55 2.510 -11.249 -0.602 1.00 0.00 C ATOM 902 CG GLU A 55 2.903 -10.291 0.528 1.00 0.00 C ATOM 903 CD GLU A 55 3.645 -10.972 1.671 1.00 0.00 C ATOM 904 OE1 GLU A 55 4.252 -12.046 1.455 1.00 0.00 O ATOM 905 OE2 GLU A 55 3.686 -10.413 2.796 1.00 0.00 O ATOM 0 H GLU A 55 1.971 -13.125 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 55 1.652 -12.705 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.405 -11.776 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.158 -10.658 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.530 -9.498 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.004 -9.816 0.921 1.00 0.00 H new ATOM 912 N ILE A 56 -0.537 -11.501 -1.439 1.00 0.00 N ATOM 913 CA ILE A 56 -1.830 -10.837 -1.620 1.00 0.00 C ATOM 914 C ILE A 56 -2.945 -11.560 -0.867 1.00 0.00 C ATOM 915 O ILE A 56 -3.686 -10.945 -0.141 1.00 0.00 O ATOM 916 CB ILE A 56 -2.248 -10.720 -3.128 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.186 -9.995 -3.977 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.606 -10.032 -3.281 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.786 -8.627 -3.478 1.00 0.00 C ATOM 0 H ILE A 56 -0.131 -11.857 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.696 -9.834 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.330 -11.740 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.295 -10.621 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.563 -9.897 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.864 -9.968 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.367 -10.609 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.555 -9.029 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.035 -8.202 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.661 -7.977 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.373 -8.713 -2.473 1.00 0.00 H new ATOM 931 N ARG A 57 -3.034 -12.864 -1.038 1.00 0.00 N ATOM 932 CA ARG A 57 -4.124 -13.645 -0.446 1.00 0.00 C ATOM 933 C ARG A 57 -3.895 -13.880 1.043 1.00 0.00 C ATOM 934 O ARG A 57 -4.844 -14.042 1.821 1.00 0.00 O ATOM 935 CB ARG A 57 -4.288 -14.977 -1.183 1.00 0.00 C ATOM 936 CG ARG A 57 -4.531 -14.815 -2.678 1.00 0.00 C ATOM 937 CD ARG A 57 -4.616 -16.152 -3.387 1.00 0.00 C ATOM 938 NE ARG A 57 -5.814 -16.914 -3.022 1.00 0.00 N ATOM 939 CZ ARG A 57 -6.073 -18.164 -3.428 1.00 0.00 C ATOM 940 NH1 ARG A 57 -5.141 -18.865 -4.083 1.00 0.00 N ATOM 941 NH2 ARG A 57 -7.248 -18.722 -3.155 1.00 0.00 N ATOM 0 H ARG A 57 -2.368 -13.414 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.044 -13.070 -0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.393 -15.580 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.121 -15.526 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.456 -14.261 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.726 -14.224 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.610 -15.988 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.730 -16.741 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.498 -16.461 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.230 -18.448 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.341 -19.817 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.953 -18.198 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.445 -19.674 -3.464 1.00 0.00 H new ATOM 955 N LYS A 58 -2.637 -13.874 1.439 1.00 0.00 N ATOM 956 CA LYS A 58 -2.249 -14.081 2.821 1.00 0.00 C ATOM 957 C LYS A 58 -2.627 -12.862 3.647 1.00 0.00 C ATOM 958 O LYS A 58 -3.167 -12.972 4.750 1.00 0.00 O ATOM 959 CB LYS A 58 -0.738 -14.287 2.865 1.00 0.00 C ATOM 960 CG LYS A 58 -0.129 -14.408 4.240 1.00 0.00 C ATOM 961 CD LYS A 58 1.374 -14.516 4.126 1.00 0.00 C ATOM 962 CE LYS A 58 2.036 -14.546 5.486 1.00 0.00 C ATOM 963 NZ LYS A 58 3.495 -14.639 5.371 1.00 0.00 N ATOM 0 H LYS A 58 -1.850 -13.724 0.807 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.760 -14.952 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.497 -15.188 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.262 -13.453 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.396 -13.540 4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.528 -15.285 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.633 -15.420 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.757 -13.672 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.770 -13.646 6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.660 -15.395 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.918 -14.657 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.748 -15.510 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.855 -13.815 4.848 1.00 0.00 H new ATOM 977 N ASN A 59 -2.357 -11.719 3.091 1.00 0.00 N ATOM 978 CA ASN A 59 -2.584 -10.450 3.739 1.00 0.00 C ATOM 979 C ASN A 59 -3.620 -9.688 2.949 1.00 0.00 C ATOM 980 O ASN A 59 -3.494 -8.479 2.712 1.00 0.00 O ATOM 981 CB ASN A 59 -1.257 -9.693 3.790 1.00 0.00 C ATOM 982 CG ASN A 59 -0.224 -10.404 4.656 1.00 0.00 C ATOM 983 OD1 ASN A 59 -0.548 -10.952 5.718 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.995 -10.472 4.186 1.00 0.00 N ATOM 0 H ASN A 59 -1.964 -11.635 2.154 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.951 -10.581 4.757 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.866 -9.580 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.427 -8.690 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.711 -10.988 4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.230 -10.009 3.308 1.00 0.00 H new ATOM 991 N LYS A 60 -4.688 -10.400 2.605 1.00 0.00 N ATOM 992 CA LYS A 60 -5.743 -9.888 1.734 1.00 0.00 C ATOM 993 C LYS A 60 -6.415 -8.652 2.299 1.00 0.00 C ATOM 994 O LYS A 60 -6.807 -7.778 1.549 1.00 0.00 O ATOM 995 CB LYS A 60 -6.793 -10.966 1.401 1.00 0.00 C ATOM 996 CG LYS A 60 -7.688 -11.370 2.559 1.00 0.00 C ATOM 997 CD LYS A 60 -8.694 -12.422 2.133 1.00 0.00 C ATOM 998 CE LYS A 60 -9.719 -12.695 3.225 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.569 -11.512 3.499 1.00 0.00 N ATOM 0 H LYS A 60 -4.848 -11.355 2.924 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.248 -9.599 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.420 -10.602 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.277 -11.853 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.078 -11.756 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.213 -10.494 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.205 -12.092 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.172 -13.346 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.350 -13.533 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.204 -12.991 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.435 -11.813 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.047 -10.840 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.823 -11.052 2.602 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.513 -8.569 3.617 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.135 -7.442 4.263 1.00 0.00 C ATOM 1015 C GLU A 61 -6.329 -6.186 3.980 1.00 0.00 C ATOM 1016 O GLU A 61 -6.878 -5.142 3.624 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.210 -7.686 5.757 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.025 -8.914 6.151 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.480 -8.800 5.782 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -9.866 -9.204 4.664 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -10.269 -8.313 6.611 1.00 0.00 O ATOM 0 H GLU A 61 -6.163 -9.281 4.259 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.145 -7.313 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.198 -7.795 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.643 -6.808 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.602 -9.794 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.940 -9.069 7.227 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.021 -6.326 4.077 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.100 -5.242 3.836 1.00 0.00 C ATOM 1030 C PHE A 62 -4.155 -4.829 2.377 1.00 0.00 C ATOM 1031 O PHE A 62 -4.374 -3.658 2.057 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.669 -5.681 4.201 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.611 -4.660 3.882 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.445 -3.550 4.676 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.791 -4.815 2.772 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.487 -2.610 4.378 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.169 -3.879 2.468 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.323 -2.774 3.273 1.00 0.00 C ATOM 0 H PHE A 62 -4.568 -7.205 4.328 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.383 -4.392 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.631 -5.907 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.438 -6.605 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.074 -3.415 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.909 -5.682 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.368 -1.742 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.799 -4.011 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.077 -2.036 3.040 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.016 -5.809 1.504 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.969 -5.563 0.085 1.00 0.00 C ATOM 1050 C TYR A 63 -5.270 -5.073 -0.490 1.00 0.00 C ATOM 1051 O TYR A 63 -5.268 -4.320 -1.462 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.401 -6.745 -0.682 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.914 -6.878 -0.472 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.038 -6.042 -1.148 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.384 -7.804 0.408 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.322 -6.127 -0.959 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.021 -7.893 0.607 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.825 -7.053 -0.081 1.00 0.00 C ATOM 1059 OH TYR A 63 2.178 -7.138 0.109 1.00 0.00 O ATOM 0 H TYR A 63 -3.933 -6.792 1.762 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.273 -4.734 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.898 -7.661 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.610 -6.624 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.432 -5.309 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.045 -8.466 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.988 -5.470 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.380 -8.618 1.299 1.00 0.00 H new ATOM 0 HH TYR A 63 2.363 -7.659 0.919 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.371 -5.455 0.110 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.661 -4.984 -0.348 1.00 0.00 C ATOM 1071 C ASP A 64 -7.868 -3.537 0.049 1.00 0.00 C ATOM 1072 O ASP A 64 -8.326 -2.713 -0.765 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.797 -5.841 0.189 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.144 -5.326 -0.238 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.484 -5.424 -1.433 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.883 -4.787 0.607 1.00 0.00 O ATOM 0 H ASP A 64 -6.403 -6.086 0.911 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.670 -5.062 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.674 -6.866 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.748 -5.867 1.278 1.00 0.00 H new ATOM 1081 N MET A 65 -7.527 -3.217 1.294 1.00 0.00 N ATOM 1082 CA MET A 65 -7.664 -1.860 1.788 1.00 0.00 C ATOM 1083 C MET A 65 -6.747 -0.908 1.062 1.00 0.00 C ATOM 1084 O MET A 65 -7.194 0.147 0.616 1.00 0.00 O ATOM 1085 CB MET A 65 -7.483 -1.762 3.309 1.00 0.00 C ATOM 1086 CG MET A 65 -8.598 -2.438 4.083 1.00 0.00 C ATOM 1087 SD MET A 65 -8.487 -2.234 5.885 1.00 0.00 S ATOM 1088 CE MET A 65 -6.987 -3.139 6.259 1.00 0.00 C ATOM 0 H MET A 65 -7.155 -3.880 1.974 1.00 0.00 H new ATOM 0 HA MET A 65 -8.690 -1.559 1.577 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.530 -2.214 3.586 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.433 -0.712 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.554 -2.040 3.742 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.594 -3.502 3.849 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.381 -2.565 6.961 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.244 -4.101 6.703 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.422 -3.302 5.341 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.478 -1.290 0.879 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.559 -0.408 0.184 1.00 0.00 C ATOM 1100 C ILE A 66 -4.979 -0.172 -1.252 1.00 0.00 C ATOM 1101 O ILE A 66 -4.971 0.940 -1.677 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.052 -0.802 0.235 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.791 -2.165 -0.383 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.534 -0.757 1.661 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.324 -2.449 -0.605 1.00 0.00 C ATOM 0 H ILE A 66 -5.082 -2.176 1.194 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.633 0.517 0.756 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.510 -0.068 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.209 -2.936 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.315 -2.230 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.480 -1.035 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.648 0.252 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.101 -1.455 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.208 -3.438 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.906 -1.699 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.798 -2.415 0.349 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.427 -1.223 -1.964 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.837 -1.098 -3.385 1.00 0.00 C ATOM 1119 C ALA A 67 -6.899 -0.017 -3.566 1.00 0.00 C ATOM 1120 O ALA A 67 -6.894 0.723 -4.549 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.355 -2.426 -3.916 1.00 0.00 C ATOM 0 H ALA A 67 -5.516 -2.166 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.954 -0.809 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.650 -2.311 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.570 -3.179 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.217 -2.742 -3.328 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.774 0.075 -2.594 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.841 1.048 -2.569 1.00 0.00 C ATOM 1129 C GLU A 68 -8.254 2.453 -2.332 1.00 0.00 C ATOM 1130 O GLU A 68 -8.446 3.380 -3.148 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.796 0.650 -1.445 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.966 1.580 -1.207 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.941 1.633 -2.351 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.830 0.761 -2.425 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.881 2.572 -3.149 1.00 0.00 O ATOM 0 H GLU A 68 -7.764 -0.538 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.379 1.072 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.186 -0.344 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.225 0.573 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.493 1.263 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.587 2.584 -1.018 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.495 2.576 -1.251 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.866 3.838 -0.845 1.00 0.00 C ATOM 1144 C ILE A 69 -5.905 4.349 -1.924 1.00 0.00 C ATOM 1145 O ILE A 69 -5.873 5.544 -2.217 1.00 0.00 O ATOM 1146 CB ILE A 69 -6.106 3.665 0.496 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -7.080 3.211 1.585 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.403 4.963 0.914 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.413 2.894 2.892 1.00 0.00 C ATOM 0 H ILE A 69 -7.293 1.799 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.659 4.573 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.337 2.905 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.823 3.992 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.616 2.328 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.880 4.806 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.686 5.252 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.143 5.754 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.164 2.579 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.690 2.091 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.900 3.781 3.263 1.00 0.00 H new ATOM 1161 N LEU A 70 -5.153 3.433 -2.519 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.207 3.747 -3.580 1.00 0.00 C ATOM 1163 C LEU A 70 -4.882 4.476 -4.727 1.00 0.00 C ATOM 1164 O LEU A 70 -4.393 5.494 -5.169 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.496 2.481 -4.097 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.539 1.771 -3.123 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -2.080 0.446 -3.701 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.333 2.638 -2.817 1.00 0.00 C ATOM 0 H LEU A 70 -5.183 2.443 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.455 4.408 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.259 1.766 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.932 2.750 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.082 1.589 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.404 -0.042 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.945 -0.194 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.561 0.620 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.673 2.113 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.795 2.853 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.663 3.573 -2.364 1.00 0.00 H new ATOM 1180 N GLN A 71 -6.033 3.980 -5.176 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.738 4.621 -6.293 1.00 0.00 C ATOM 1182 C GLN A 71 -7.298 5.975 -5.855 1.00 0.00 C ATOM 1183 O GLN A 71 -7.196 6.978 -6.576 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.878 3.746 -6.813 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.480 2.325 -7.158 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.615 1.528 -7.759 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.461 2.068 -8.476 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.686 0.269 -7.418 1.00 0.00 N ATOM 0 H GLN A 71 -6.493 3.153 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.018 4.762 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.666 3.715 -6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.302 4.216 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.646 2.346 -7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.126 1.823 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.965 -0.140 -6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.462 -0.305 -7.747 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.839 5.996 -4.646 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.441 7.151 -4.054 1.00 0.00 C ATOM 1199 C ARG A 72 -7.413 8.289 -3.939 1.00 0.00 C ATOM 1200 O ARG A 72 -7.662 9.418 -4.354 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.955 6.704 -2.691 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.653 7.732 -1.861 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.198 7.078 -0.608 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.256 6.081 -0.895 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.663 5.097 -0.053 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.132 4.952 1.147 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.631 4.276 -0.419 1.00 0.00 N ATOM 0 H ARG A 72 -7.865 5.175 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.259 7.543 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.639 5.870 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.110 6.322 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.962 8.532 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.464 8.186 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.382 6.592 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.599 7.847 0.053 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.718 6.139 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.398 5.588 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.455 4.204 1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.071 4.382 -1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.938 3.536 0.212 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.246 7.967 -3.448 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.210 8.949 -3.269 1.00 0.00 C ATOM 1223 C TYR A 73 -4.340 9.165 -4.487 1.00 0.00 C ATOM 1224 O TYR A 73 -3.623 10.166 -4.554 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.383 8.683 -2.036 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.026 9.165 -0.778 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -5.974 8.411 -0.113 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -4.679 10.393 -0.255 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -6.557 8.876 1.041 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.253 10.862 0.891 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.184 10.109 1.540 1.00 0.00 C ATOM 1232 OH TYR A 73 -6.760 10.596 2.686 1.00 0.00 O ATOM 0 H TYR A 73 -5.988 7.023 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.740 9.890 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.199 7.612 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.412 9.165 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.260 7.446 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.939 10.995 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.300 8.283 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.970 11.828 1.282 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.381 11.475 2.895 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.381 8.266 -5.451 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.622 8.468 -6.679 1.00 0.00 C ATOM 1244 C TYR A 74 -4.202 9.649 -7.433 1.00 0.00 C ATOM 1245 O TYR A 74 -3.490 10.365 -8.123 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.560 7.171 -7.548 1.00 0.00 C ATOM 1247 CG TYR A 74 -4.138 7.265 -8.957 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -3.365 7.705 -10.030 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -5.453 6.904 -9.207 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -3.897 7.785 -11.303 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -5.987 6.979 -10.473 1.00 0.00 C ATOM 1252 CZ TYR A 74 -5.209 7.420 -11.516 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.747 7.491 -12.783 1.00 0.00 O ATOM 0 H TYR A 74 -4.921 7.401 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.587 8.696 -6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.517 6.863 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.086 6.379 -7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.336 7.987 -9.864 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.071 6.557 -8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.289 8.131 -12.126 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.014 6.692 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.681 7.197 -12.759 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.491 9.860 -7.260 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.168 10.988 -7.864 1.00 0.00 C ATOM 1265 C LYS A 75 -5.896 12.267 -7.062 1.00 0.00 C ATOM 1266 O LYS A 75 -5.874 13.364 -7.610 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.676 10.732 -7.909 1.00 0.00 C ATOM 1268 CG LYS A 75 -8.082 9.479 -8.670 1.00 0.00 C ATOM 1269 CD LYS A 75 -9.595 9.294 -8.694 1.00 0.00 C ATOM 1270 CE LYS A 75 -10.186 9.107 -7.298 1.00 0.00 C ATOM 1271 NZ LYS A 75 -11.656 8.955 -7.342 1.00 0.00 N ATOM 0 H LYS A 75 -6.095 9.258 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.789 11.114 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.050 10.658 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.164 11.593 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.707 9.537 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.617 8.608 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.056 10.161 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.842 8.428 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.743 8.228 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.927 9.964 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.021 8.830 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.080 9.805 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.902 8.123 -7.915 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.653 12.103 -5.777 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.506 13.234 -4.875 1.00 0.00 C ATOM 1287 C LYS A 76 -4.043 13.727 -4.759 1.00 0.00 C ATOM 1288 O LYS A 76 -3.765 14.918 -4.942 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.079 12.856 -3.490 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.025 13.966 -2.442 1.00 0.00 C ATOM 1291 CD LYS A 76 -6.630 13.529 -1.102 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.145 13.336 -1.173 1.00 0.00 C ATOM 1293 NZ LYS A 76 -8.712 12.894 0.129 1.00 0.00 N ATOM 0 H LYS A 76 -5.552 11.192 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.068 14.070 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.116 12.546 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.532 11.993 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.989 14.269 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.561 14.840 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.164 12.596 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.398 14.276 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.616 14.272 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.381 12.599 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.741 12.775 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.282 11.988 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.510 13.609 0.856 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.113 12.826 -4.485 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.710 13.226 -4.282 1.00 0.00 C ATOM 1309 C ILE A 77 -0.748 12.544 -5.259 1.00 0.00 C ATOM 1310 O ILE A 77 0.382 12.990 -5.437 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.225 12.983 -2.821 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.395 11.505 -2.422 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -1.960 13.904 -1.846 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -0.895 11.168 -1.032 1.00 0.00 C ATOM 0 H ILE A 77 -3.289 11.825 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.694 14.298 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.162 13.220 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.451 11.243 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.867 10.884 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.606 13.717 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.768 14.943 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.031 13.708 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.054 10.108 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.169 11.394 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.440 11.759 -0.296 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.173 11.463 -5.853 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.333 10.778 -6.811 1.00 0.00 C ATOM 1328 C GLY A 78 0.159 9.479 -6.251 1.00 0.00 C ATOM 1329 O GLY A 78 0.525 9.417 -5.076 1.00 0.00 O ATOM 0 H GLY A 78 -2.086 11.036 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.893 10.595 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.515 11.410 -7.076 1.00 0.00 H new ATOM 1333 N ILE A 79 0.203 8.456 -7.088 1.00 0.00 N ATOM 1334 CA ILE A 79 0.538 7.093 -6.666 1.00 0.00 C ATOM 1335 C ILE A 79 1.915 7.008 -5.979 1.00 0.00 C ATOM 1336 O ILE A 79 2.042 6.370 -4.942 1.00 0.00 O ATOM 1337 CB ILE A 79 0.408 6.057 -7.848 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.747 4.626 -7.393 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.252 6.452 -9.057 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.153 4.096 -6.296 1.00 0.00 C ATOM 0 H ILE A 79 0.008 8.541 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.202 6.816 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.637 6.074 -8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.685 3.959 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.779 4.602 -7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.130 5.709 -9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.928 7.426 -9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.301 6.504 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.152 3.083 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.074 4.738 -5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.185 4.085 -6.646 1.00 0.00 H new ATOM 1352 N GLU A 80 2.892 7.734 -6.510 1.00 0.00 N ATOM 1353 CA GLU A 80 4.262 7.752 -6.000 1.00 0.00 C ATOM 1354 C GLU A 80 4.268 8.180 -4.541 1.00 0.00 C ATOM 1355 O GLU A 80 4.990 7.623 -3.685 1.00 0.00 O ATOM 1356 CB GLU A 80 5.125 8.751 -6.798 1.00 0.00 C ATOM 1357 CG GLU A 80 5.139 8.557 -8.318 1.00 0.00 C ATOM 1358 CD GLU A 80 4.005 9.277 -9.050 1.00 0.00 C ATOM 1359 OE1 GLU A 80 2.887 9.409 -8.505 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.218 9.712 -10.201 1.00 0.00 O ATOM 0 H GLU A 80 2.754 8.338 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 80 4.672 6.747 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.772 9.759 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.150 8.688 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.092 8.911 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.080 7.491 -8.538 1.00 0.00 H new ATOM 1367 N ASN A 81 3.458 9.167 -4.275 1.00 0.00 N ATOM 1368 CA ASN A 81 3.295 9.724 -2.950 1.00 0.00 C ATOM 1369 C ASN A 81 2.572 8.764 -2.034 1.00 0.00 C ATOM 1370 O ASN A 81 2.997 8.552 -0.902 1.00 0.00 O ATOM 1371 CB ASN A 81 2.571 11.085 -2.990 1.00 0.00 C ATOM 1372 CG ASN A 81 3.452 12.210 -3.497 1.00 0.00 C ATOM 1373 OD1 ASN A 81 4.191 12.826 -2.724 1.00 0.00 O ATOM 1374 ND2 ASN A 81 3.365 12.518 -4.767 1.00 0.00 N ATOM 0 H ASN A 81 2.879 9.619 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 81 4.295 9.889 -2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.691 11.004 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.217 11.331 -1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.918 13.288 -5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.744 11.988 -5.379 1.00 0.00 H new ATOM 1381 N VAL A 82 1.516 8.143 -2.542 1.00 0.00 N ATOM 1382 CA VAL A 82 0.706 7.227 -1.734 1.00 0.00 C ATOM 1383 C VAL A 82 1.537 6.031 -1.301 1.00 0.00 C ATOM 1384 O VAL A 82 1.536 5.668 -0.130 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.546 6.707 -2.479 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.485 5.996 -1.516 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.264 7.819 -3.187 1.00 0.00 C ATOM 0 H VAL A 82 1.197 8.253 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 82 0.371 7.802 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.211 5.993 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.360 5.637 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.968 5.151 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.801 6.690 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.139 7.419 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.580 8.568 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.595 8.279 -3.915 1.00 0.00 H new ATOM 1397 N ASN A 83 2.275 5.462 -2.253 1.00 0.00 N ATOM 1398 CA ASN A 83 3.142 4.292 -2.019 1.00 0.00 C ATOM 1399 C ASN A 83 4.071 4.536 -0.850 1.00 0.00 C ATOM 1400 O ASN A 83 4.181 3.717 0.068 1.00 0.00 O ATOM 1401 CB ASN A 83 3.980 3.974 -3.266 1.00 0.00 C ATOM 1402 CG ASN A 83 3.156 3.487 -4.438 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.108 2.883 -4.265 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.613 3.737 -5.633 1.00 0.00 N ATOM 0 H ASN A 83 2.293 5.796 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 83 2.494 3.445 -1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.528 4.868 -3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.721 3.216 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.093 3.426 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.491 4.243 -5.748 1.00 0.00 H new ATOM 1411 N GLN A 84 4.686 5.695 -0.863 1.00 0.00 N ATOM 1412 CA GLN A 84 5.607 6.107 0.167 1.00 0.00 C ATOM 1413 C GLN A 84 4.925 6.170 1.530 1.00 0.00 C ATOM 1414 O GLN A 84 5.483 5.736 2.542 1.00 0.00 O ATOM 1415 CB GLN A 84 6.186 7.467 -0.183 1.00 0.00 C ATOM 1416 CG GLN A 84 7.186 7.967 0.824 1.00 0.00 C ATOM 1417 CD GLN A 84 8.369 7.050 0.971 1.00 0.00 C ATOM 1418 OE1 GLN A 84 9.359 7.162 0.253 1.00 0.00 O ATOM 1419 NE2 GLN A 84 8.286 6.150 1.911 1.00 0.00 N ATOM 0 H GLN A 84 4.558 6.388 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 84 6.407 5.368 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.664 7.410 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.374 8.189 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.533 8.956 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.696 8.080 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.446 6.089 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.061 5.507 2.071 1.00 0.00 H new ATOM 1428 N LEU A 85 3.728 6.676 1.545 1.00 0.00 N ATOM 1429 CA LEU A 85 2.992 6.851 2.773 1.00 0.00 C ATOM 1430 C LEU A 85 2.473 5.523 3.302 1.00 0.00 C ATOM 1431 O LEU A 85 2.381 5.328 4.515 1.00 0.00 O ATOM 1432 CB LEU A 85 1.878 7.868 2.584 1.00 0.00 C ATOM 1433 CG LEU A 85 2.342 9.228 2.054 1.00 0.00 C ATOM 1434 CD1 LEU A 85 1.186 10.195 1.944 1.00 0.00 C ATOM 1435 CD2 LEU A 85 3.477 9.801 2.908 1.00 0.00 C ATOM 0 H LEU A 85 3.229 6.981 0.709 1.00 0.00 H new ATOM 0 HA LEU A 85 3.671 7.243 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.141 7.456 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.374 8.017 3.539 1.00 0.00 H new ATOM 0 HG LEU A 85 2.737 9.076 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.546 11.151 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.439 9.792 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.738 10.340 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.783 10.766 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.132 9.929 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.325 9.116 2.893 1.00 0.00 H new ATOM 1447 N ILE A 86 2.171 4.599 2.400 1.00 0.00 N ATOM 1448 CA ILE A 86 1.768 3.247 2.785 1.00 0.00 C ATOM 1449 C ILE A 86 2.932 2.574 3.517 1.00 0.00 C ATOM 1450 O ILE A 86 2.741 1.866 4.514 1.00 0.00 O ATOM 1451 CB ILE A 86 1.330 2.385 1.551 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.110 3.010 0.843 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.034 0.934 1.948 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.126 3.174 1.721 1.00 0.00 C ATOM 0 H ILE A 86 2.197 4.759 1.393 1.00 0.00 H new ATOM 0 HA ILE A 86 0.901 3.321 3.441 1.00 0.00 H new ATOM 0 HB ILE A 86 2.167 2.375 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.395 3.988 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.151 2.390 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.734 0.369 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.929 0.485 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.229 0.915 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.931 3.621 1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.443 2.198 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.889 3.821 2.566 1.00 0.00 H new ATOM 1466 N LEU A 87 4.142 2.853 3.046 1.00 0.00 N ATOM 1467 CA LEU A 87 5.350 2.348 3.681 1.00 0.00 C ATOM 1468 C LEU A 87 5.485 2.906 5.097 1.00 0.00 C ATOM 1469 O LEU A 87 5.847 2.186 6.020 1.00 0.00 O ATOM 1470 CB LEU A 87 6.590 2.690 2.845 1.00 0.00 C ATOM 1471 CG LEU A 87 6.617 2.114 1.429 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.889 2.500 0.711 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.470 0.609 1.464 1.00 0.00 C ATOM 0 H LEU A 87 4.311 3.430 2.222 1.00 0.00 H new ATOM 0 HA LEU A 87 5.273 1.263 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.671 3.775 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.473 2.337 3.378 1.00 0.00 H new ATOM 0 HG LEU A 87 5.775 2.534 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.882 2.077 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.956 3.586 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.748 2.115 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.492 0.218 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.290 0.177 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.522 0.347 1.934 1.00 0.00 H new ATOM 1485 N THR A 88 5.142 4.176 5.259 1.00 0.00 N ATOM 1486 CA THR A 88 5.169 4.846 6.555 1.00 0.00 C ATOM 1487 C THR A 88 4.104 4.230 7.493 1.00 0.00 C ATOM 1488 O THR A 88 4.290 4.138 8.706 1.00 0.00 O ATOM 1489 CB THR A 88 4.885 6.354 6.367 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.723 6.863 5.313 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.174 7.134 7.647 1.00 0.00 C ATOM 0 H THR A 88 4.835 4.775 4.492 1.00 0.00 H new ATOM 0 HA THR A 88 6.155 4.715 7.002 1.00 0.00 H new ATOM 0 HB THR A 88 3.831 6.476 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.547 7.819 5.187 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.965 8.191 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.542 6.759 8.452 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.222 7.009 7.920 1.00 0.00 H new ATOM 1499 N THR A 89 3.005 3.816 6.896 1.00 0.00 N ATOM 1500 CA THR A 89 1.888 3.239 7.594 1.00 0.00 C ATOM 1501 C THR A 89 2.275 1.909 8.251 1.00 0.00 C ATOM 1502 O THR A 89 1.998 1.685 9.449 1.00 0.00 O ATOM 1503 CB THR A 89 0.735 3.017 6.601 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.406 4.259 5.987 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.499 2.468 7.283 1.00 0.00 C ATOM 0 H THR A 89 2.866 3.876 5.887 1.00 0.00 H new ATOM 0 HA THR A 89 1.575 3.924 8.382 1.00 0.00 H new ATOM 0 HB THR A 89 1.066 2.289 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.074 4.473 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.289 2.326 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.262 1.512 7.750 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.836 3.170 8.046 1.00 0.00 H new ATOM 1513 N ILE A 90 2.914 1.046 7.479 1.00 0.00 N ATOM 1514 CA ILE A 90 3.328 -0.250 7.973 1.00 0.00 C ATOM 1515 C ILE A 90 4.607 -0.152 8.783 1.00 0.00 C ATOM 1516 O ILE A 90 4.706 -0.703 9.887 1.00 0.00 O ATOM 1517 CB ILE A 90 3.491 -1.304 6.839 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.458 -0.818 5.736 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.135 -1.626 6.254 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.807 -1.860 4.694 1.00 0.00 C ATOM 0 H ILE A 90 3.157 1.224 6.504 1.00 0.00 H new ATOM 0 HA ILE A 90 2.524 -0.594 8.624 1.00 0.00 H new ATOM 0 HB ILE A 90 3.926 -2.205 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.013 0.042 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.379 -0.472 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.247 -2.364 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.488 -2.028 7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.690 -0.719 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.490 -1.428 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.285 -2.712 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.898 -2.191 4.191 1.00 0.00 H new