USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 157:sc= -1.58 (180deg=-2.33!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.22! K(o=-3.2!,f=-1.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0797 USER MOD Single : A 40 SER OG : rot 17:sc= 0.385! USER MOD Single : A 42 MET CE :methyl 130:sc= -0.157 (180deg=-0.949) USER MOD Single : A 43 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.24) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -1.57! (180deg=-2.46!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -76:sc= -4! USER MOD Single : A 69 TYR OH : rot 50:sc= -3.87! USER MOD Single : A 79 ASN : amide:sc= -5.47! C(o=-5.5!,f=-5!) USER MOD Single : A 86 THR OG1 : rot 93:sc= -2.45! USER MOD Single : A 88 TYR OH : rot 110:sc= -2.1! USER MOD Single : A 90 SER OG : rot 130:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 97:sc= 0.255 USER MOD Single : A 97 TYR OH : rot -157:sc= -4.12! USER MOD Single : A 98 SER OG : rot 180:sc= -0.553 USER MOD Single : A 99 ASN : amide:sc= 0.134 K(o=0.13,f=-1.2) USER MOD Single : A 104 THR OG1 : rot -31:sc= 0.764 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -5:sc= -6.36! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 4.034 15.012 3.588 1.00 0.00 N ATOM 109 CA ARG A 8 4.903 13.995 2.942 1.00 0.00 C ATOM 110 C ARG A 8 4.443 12.608 3.373 1.00 0.00 C ATOM 111 O ARG A 8 4.743 12.155 4.459 1.00 0.00 O ATOM 112 CB ARG A 8 6.312 14.283 3.461 1.00 0.00 C ATOM 113 CG ARG A 8 6.728 15.694 3.046 1.00 0.00 C ATOM 114 CD ARG A 8 6.967 15.731 1.535 1.00 0.00 C ATOM 115 NE ARG A 8 8.443 15.844 1.384 1.00 0.00 N ATOM 116 CZ ARG A 8 9.059 16.909 1.815 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.895 18.049 1.201 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.838 16.836 2.860 1.00 0.00 N ATOM 0 HA ARG A 8 4.867 14.034 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.338 14.189 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.015 13.552 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.952 16.409 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.634 15.988 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.588 14.830 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.457 16.577 1.075 1.00 0.00 H new ATOM 0 HE ARG A 8 8.971 15.090 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.285 18.106 0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.376 18.883 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.965 15.945 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.320 17.670 3.196 1.00 0.00 H new ATOM 132 N LEU A 9 3.705 11.933 2.541 1.00 0.00 N ATOM 133 CA LEU A 9 3.222 10.590 2.923 1.00 0.00 C ATOM 134 C LEU A 9 4.155 9.523 2.355 1.00 0.00 C ATOM 135 O LEU A 9 4.995 9.803 1.523 1.00 0.00 O ATOM 136 CB LEU A 9 1.822 10.480 2.311 1.00 0.00 C ATOM 137 CG LEU A 9 0.783 10.992 3.311 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.422 11.551 2.553 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.328 9.841 4.210 1.00 0.00 C ATOM 0 H LEU A 9 3.418 12.256 1.617 1.00 0.00 H new ATOM 0 HA LEU A 9 3.197 10.445 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.771 11.059 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.609 9.444 2.049 1.00 0.00 H new ATOM 0 HG LEU A 9 1.226 11.778 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.162 11.916 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.100 12.372 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.864 10.765 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.412 10.206 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.114 9.055 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.186 9.441 4.751 1.00 0.00 H new ATOM 151 N ARG A 10 4.022 8.304 2.792 1.00 0.00 N ATOM 152 CA ARG A 10 4.910 7.236 2.263 1.00 0.00 C ATOM 153 C ARG A 10 4.085 5.988 1.946 1.00 0.00 C ATOM 154 O ARG A 10 3.510 5.375 2.824 1.00 0.00 O ATOM 155 CB ARG A 10 5.902 6.944 3.388 1.00 0.00 C ATOM 156 CG ARG A 10 6.505 8.254 3.898 1.00 0.00 C ATOM 157 CD ARG A 10 5.596 8.844 4.976 1.00 0.00 C ATOM 158 NE ARG A 10 6.243 8.479 6.266 1.00 0.00 N ATOM 159 CZ ARG A 10 5.629 8.707 7.397 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.498 9.358 7.407 1.00 0.00 N ATOM 161 NH2 ARG A 10 6.149 8.283 8.515 1.00 0.00 N ATOM 0 H ARG A 10 3.341 8.002 3.489 1.00 0.00 H new ATOM 0 HA ARG A 10 5.416 7.535 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.399 6.423 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.692 6.285 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.501 8.075 4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.618 8.960 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.508 9.925 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.588 8.435 4.910 1.00 0.00 H new ATOM 0 HE ARG A 10 7.168 8.050 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.093 9.689 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.019 9.535 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.033 7.775 8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.672 8.460 9.399 1.00 0.00 H new ATOM 175 N VAL A 11 4.015 5.607 0.704 1.00 0.00 N ATOM 176 CA VAL A 11 3.214 4.403 0.348 1.00 0.00 C ATOM 177 C VAL A 11 4.114 3.296 -0.205 1.00 0.00 C ATOM 178 O VAL A 11 4.696 3.426 -1.262 1.00 0.00 O ATOM 179 CB VAL A 11 2.234 4.880 -0.724 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.470 6.102 -0.211 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.006 5.255 -1.993 1.00 0.00 C ATOM 0 H VAL A 11 4.475 6.073 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 11 2.703 3.985 1.215 1.00 0.00 H new ATOM 0 HB VAL A 11 1.529 4.081 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.771 6.442 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.919 5.835 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.174 6.902 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.307 5.595 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.713 6.053 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.549 4.384 -2.360 1.00 0.00 H new ATOM 191 N LEU A 12 4.220 2.200 0.495 1.00 0.00 N ATOM 192 CA LEU A 12 5.066 1.077 -0.003 1.00 0.00 C ATOM 193 C LEU A 12 4.189 0.098 -0.784 1.00 0.00 C ATOM 194 O LEU A 12 3.413 -0.639 -0.208 1.00 0.00 O ATOM 195 CB LEU A 12 5.627 0.404 1.252 1.00 0.00 C ATOM 196 CG LEU A 12 6.417 1.424 2.073 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.125 1.220 3.562 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.913 1.230 1.817 1.00 0.00 C ATOM 0 H LEU A 12 3.758 2.033 1.389 1.00 0.00 H new ATOM 0 HA LEU A 12 5.863 1.414 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.814 -0.008 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.271 -0.430 0.972 1.00 0.00 H new ATOM 0 HG LEU A 12 6.123 2.432 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.689 1.947 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.059 1.355 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.419 0.212 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.479 1.956 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.205 0.222 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.122 1.374 0.757 1.00 0.00 H new ATOM 210 N VAL A 13 4.281 0.086 -2.087 1.00 0.00 N ATOM 211 CA VAL A 13 3.419 -0.846 -2.864 1.00 0.00 C ATOM 212 C VAL A 13 4.270 -1.834 -3.658 1.00 0.00 C ATOM 213 O VAL A 13 4.837 -1.507 -4.680 1.00 0.00 O ATOM 214 CB VAL A 13 2.583 0.040 -3.802 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.230 -0.624 -4.052 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.346 1.414 -3.164 1.00 0.00 C ATOM 0 H VAL A 13 4.907 0.673 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 13 2.782 -1.443 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 13 3.123 0.165 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.635 0.002 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.383 -1.600 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.705 -0.749 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.753 2.031 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.812 1.290 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.304 1.899 -2.977 1.00 0.00 H new ATOM 226 N VAL A 14 4.356 -3.049 -3.194 1.00 0.00 N ATOM 227 CA VAL A 14 5.168 -4.065 -3.919 1.00 0.00 C ATOM 228 C VAL A 14 4.250 -5.201 -4.413 1.00 0.00 C ATOM 229 O VAL A 14 3.237 -5.514 -3.803 1.00 0.00 O ATOM 230 CB VAL A 14 6.229 -4.550 -2.901 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.546 -3.445 -1.887 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.736 -5.793 -2.154 1.00 0.00 C ATOM 0 H VAL A 14 3.900 -3.382 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 14 5.659 -3.668 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 14 7.133 -4.801 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.294 -3.804 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.932 -2.571 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.638 -3.174 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.497 -6.117 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.817 -5.555 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.542 -6.594 -2.868 1.00 0.00 H new ATOM 242 N GLU A 15 4.574 -5.801 -5.530 1.00 0.00 N ATOM 243 CA GLU A 15 3.691 -6.883 -6.062 1.00 0.00 C ATOM 244 C GLU A 15 4.425 -7.772 -7.073 1.00 0.00 C ATOM 245 O GLU A 15 4.732 -8.915 -6.797 1.00 0.00 O ATOM 246 CB GLU A 15 2.558 -6.132 -6.754 1.00 0.00 C ATOM 247 CG GLU A 15 1.220 -6.769 -6.388 1.00 0.00 C ATOM 248 CD GLU A 15 0.090 -6.038 -7.116 1.00 0.00 C ATOM 249 OE1 GLU A 15 -0.272 -4.960 -6.675 1.00 0.00 O ATOM 250 OE2 GLU A 15 -0.393 -6.569 -8.103 1.00 0.00 O ATOM 0 H GLU A 15 5.400 -5.593 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 15 3.349 -7.549 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.567 -5.084 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.700 -6.156 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.221 -7.824 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.064 -6.719 -5.310 1.00 0.00 H new ATOM 257 N ASP A 16 4.692 -7.267 -8.247 1.00 0.00 N ATOM 258 CA ASP A 16 5.386 -8.095 -9.264 1.00 0.00 C ATOM 259 C ASP A 16 6.596 -7.348 -9.833 1.00 0.00 C ATOM 260 O ASP A 16 7.702 -7.495 -9.351 1.00 0.00 O ATOM 261 CB ASP A 16 4.341 -8.362 -10.351 1.00 0.00 C ATOM 262 CG ASP A 16 5.040 -8.808 -11.638 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.795 -9.765 -11.576 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.811 -8.185 -12.661 1.00 0.00 O ATOM 0 H ASP A 16 4.459 -6.319 -8.542 1.00 0.00 H new ATOM 0 HA ASP A 16 5.770 -9.024 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.644 -9.131 -10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.756 -7.461 -10.536 1.00 0.00 H new ATOM 269 N GLU A 17 6.412 -6.556 -10.860 1.00 0.00 N ATOM 270 CA GLU A 17 7.583 -5.832 -11.435 1.00 0.00 C ATOM 271 C GLU A 17 7.158 -4.678 -12.356 1.00 0.00 C ATOM 272 O GLU A 17 7.528 -3.541 -12.143 1.00 0.00 O ATOM 273 CB GLU A 17 8.334 -6.896 -12.236 1.00 0.00 C ATOM 274 CG GLU A 17 9.404 -6.224 -13.097 1.00 0.00 C ATOM 275 CD GLU A 17 10.002 -7.249 -14.063 1.00 0.00 C ATOM 276 OE1 GLU A 17 9.251 -8.071 -14.563 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.200 -7.194 -14.287 1.00 0.00 O ATOM 0 H GLU A 17 5.517 -6.382 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 17 8.188 -5.376 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.795 -7.617 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.639 -7.450 -12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.969 -5.394 -13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.186 -5.807 -12.463 1.00 0.00 H new ATOM 284 N SER A 18 6.422 -4.959 -13.397 1.00 0.00 N ATOM 285 CA SER A 18 6.026 -3.871 -14.344 1.00 0.00 C ATOM 286 C SER A 18 4.641 -3.295 -14.021 1.00 0.00 C ATOM 287 O SER A 18 4.332 -2.177 -14.385 1.00 0.00 O ATOM 288 CB SER A 18 6.013 -4.542 -15.715 1.00 0.00 C ATOM 289 OG SER A 18 4.687 -4.949 -16.026 1.00 0.00 O ATOM 0 H SER A 18 6.078 -5.889 -13.634 1.00 0.00 H new ATOM 0 HA SER A 18 6.714 -3.028 -14.286 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.381 -3.852 -16.474 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.680 -5.404 -15.717 1.00 0.00 H new ATOM 0 HG SER A 18 4.675 -5.379 -16.907 1.00 0.00 H new ATOM 295 N MET A 19 3.800 -4.036 -13.357 1.00 0.00 N ATOM 296 CA MET A 19 2.441 -3.502 -13.041 1.00 0.00 C ATOM 297 C MET A 19 2.516 -2.507 -11.884 1.00 0.00 C ATOM 298 O MET A 19 1.877 -1.474 -11.898 1.00 0.00 O ATOM 299 CB MET A 19 1.620 -4.728 -12.643 1.00 0.00 C ATOM 300 CG MET A 19 0.241 -4.651 -13.298 1.00 0.00 C ATOM 301 SD MET A 19 0.104 -5.935 -14.566 1.00 0.00 S ATOM 302 CE MET A 19 -1.412 -5.325 -15.343 1.00 0.00 C ATOM 0 H MET A 19 3.989 -4.980 -13.021 1.00 0.00 H new ATOM 0 HA MET A 19 2.000 -2.970 -13.884 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.132 -5.639 -12.954 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.518 -4.774 -11.559 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.538 -4.782 -12.547 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.092 -3.667 -13.744 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.687 -5.981 -16.169 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.217 -5.310 -14.608 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.247 -4.316 -15.720 1.00 0.00 H new ATOM 312 N ILE A 20 3.290 -2.812 -10.885 1.00 0.00 N ATOM 313 CA ILE A 20 3.409 -1.889 -9.725 1.00 0.00 C ATOM 314 C ILE A 20 4.630 -0.990 -9.893 1.00 0.00 C ATOM 315 O ILE A 20 5.496 -0.931 -9.044 1.00 0.00 O ATOM 316 CB ILE A 20 3.577 -2.806 -8.523 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.716 -1.965 -7.252 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.827 -3.660 -8.703 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.886 -2.597 -6.127 1.00 0.00 C ATOM 0 H ILE A 20 3.848 -3.664 -10.821 1.00 0.00 H new ATOM 0 HA ILE A 20 2.547 -1.231 -9.621 1.00 0.00 H new ATOM 0 HB ILE A 20 2.703 -3.452 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.763 -1.905 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.378 -0.946 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.946 -4.317 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.730 -4.262 -9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.700 -3.013 -8.790 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.985 -1.998 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.838 -2.634 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.245 -3.608 -5.934 1.00 0.00 H new ATOM 331 N ALA A 21 4.702 -0.294 -10.986 1.00 0.00 N ATOM 332 CA ALA A 21 5.862 0.603 -11.226 1.00 0.00 C ATOM 333 C ALA A 21 5.374 1.907 -11.857 1.00 0.00 C ATOM 334 O ALA A 21 5.046 2.854 -11.169 1.00 0.00 O ATOM 335 CB ALA A 21 6.751 -0.181 -12.186 1.00 0.00 C ATOM 0 H ALA A 21 4.004 -0.307 -11.729 1.00 0.00 H new ATOM 0 HA ALA A 21 6.396 0.876 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.638 0.406 -12.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.050 -1.120 -11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.200 -0.390 -13.103 1.00 0.00 H new ATOM 341 N MET A 22 5.298 1.965 -13.156 1.00 0.00 N ATOM 342 CA MET A 22 4.799 3.209 -13.800 1.00 0.00 C ATOM 343 C MET A 22 3.479 3.603 -13.122 1.00 0.00 C ATOM 344 O MET A 22 3.093 4.754 -13.100 1.00 0.00 O ATOM 345 CB MET A 22 4.620 2.832 -15.284 1.00 0.00 C ATOM 346 CG MET A 22 3.257 3.293 -15.813 1.00 0.00 C ATOM 347 SD MET A 22 3.178 5.100 -15.803 1.00 0.00 S ATOM 348 CE MET A 22 1.459 5.237 -15.256 1.00 0.00 C ATOM 0 H MET A 22 5.557 1.213 -13.794 1.00 0.00 H new ATOM 0 HA MET A 22 5.465 4.067 -13.708 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.415 3.286 -15.876 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.712 1.752 -15.401 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.103 2.918 -16.825 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.458 2.881 -15.196 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.301 6.211 -14.792 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.795 5.131 -16.114 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.244 4.451 -14.532 1.00 0.00 H new ATOM 358 N LEU A 23 2.795 2.644 -12.553 1.00 0.00 N ATOM 359 CA LEU A 23 1.510 2.947 -11.859 1.00 0.00 C ATOM 360 C LEU A 23 1.795 3.589 -10.495 1.00 0.00 C ATOM 361 O LEU A 23 0.933 4.190 -9.887 1.00 0.00 O ATOM 362 CB LEU A 23 0.835 1.579 -11.689 1.00 0.00 C ATOM 363 CG LEU A 23 -0.330 1.665 -10.691 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.211 1.678 -9.258 1.00 0.00 C ATOM 365 CD2 LEU A 23 -1.144 2.939 -10.942 1.00 0.00 C ATOM 0 H LEU A 23 3.072 1.663 -12.540 1.00 0.00 H new ATOM 0 HA LEU A 23 0.882 3.646 -12.412 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.468 1.227 -12.653 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.565 0.849 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.974 0.796 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.620 1.739 -8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.775 0.764 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.864 2.540 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.967 2.991 -10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.502 3.811 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.542 2.922 -11.956 1.00 0.00 H new ATOM 377 N ILE A 24 3.000 3.464 -10.009 1.00 0.00 N ATOM 378 CA ILE A 24 3.337 4.062 -8.683 1.00 0.00 C ATOM 379 C ILE A 24 4.304 5.235 -8.858 1.00 0.00 C ATOM 380 O ILE A 24 4.331 6.159 -8.069 1.00 0.00 O ATOM 381 CB ILE A 24 4.000 2.937 -7.886 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.214 3.399 -6.442 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.352 2.568 -8.503 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.070 2.205 -5.498 1.00 0.00 C ATOM 0 H ILE A 24 3.766 2.974 -10.471 1.00 0.00 H new ATOM 0 HA ILE A 24 2.454 4.451 -8.176 1.00 0.00 H new ATOM 0 HB ILE A 24 3.352 2.061 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.203 3.844 -6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.488 4.170 -6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.810 1.766 -7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.204 2.235 -9.530 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.006 3.440 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.222 2.534 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.071 1.780 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.813 1.449 -5.751 1.00 0.00 H new ATOM 396 N GLU A 25 5.104 5.192 -9.884 1.00 0.00 N ATOM 397 CA GLU A 25 6.088 6.289 -10.122 1.00 0.00 C ATOM 398 C GLU A 25 5.390 7.526 -10.691 1.00 0.00 C ATOM 399 O GLU A 25 5.830 8.642 -10.497 1.00 0.00 O ATOM 400 CB GLU A 25 7.068 5.718 -11.146 1.00 0.00 C ATOM 401 CG GLU A 25 8.261 5.092 -10.422 1.00 0.00 C ATOM 402 CD GLU A 25 9.518 5.256 -11.277 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.091 6.332 -11.251 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.885 4.303 -11.945 1.00 0.00 O ATOM 0 H GLU A 25 5.121 4.441 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 25 6.582 6.602 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.570 4.969 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.410 6.507 -11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.403 5.569 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.072 4.035 -10.233 1.00 0.00 H new ATOM 411 N ASP A 26 4.311 7.337 -11.397 1.00 0.00 N ATOM 412 CA ASP A 26 3.592 8.503 -11.985 1.00 0.00 C ATOM 413 C ASP A 26 2.855 9.280 -10.889 1.00 0.00 C ATOM 414 O ASP A 26 2.904 10.494 -10.836 1.00 0.00 O ATOM 415 CB ASP A 26 2.609 7.886 -12.993 1.00 0.00 C ATOM 416 CG ASP A 26 1.329 7.440 -12.278 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.334 6.356 -11.719 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.367 8.190 -12.304 1.00 0.00 O ATOM 0 H ASP A 26 3.895 6.426 -11.593 1.00 0.00 H new ATOM 0 HA ASP A 26 4.264 9.216 -12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.367 8.613 -13.768 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.073 7.034 -13.490 1.00 0.00 H new ATOM 423 N THR A 27 2.179 8.592 -10.012 1.00 0.00 N ATOM 424 CA THR A 27 1.451 9.295 -8.921 1.00 0.00 C ATOM 425 C THR A 27 2.443 10.091 -8.073 1.00 0.00 C ATOM 426 O THR A 27 2.272 11.271 -7.842 1.00 0.00 O ATOM 427 CB THR A 27 0.803 8.182 -8.098 1.00 0.00 C ATOM 428 OG1 THR A 27 1.795 7.238 -7.720 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.273 7.490 -8.938 1.00 0.00 C ATOM 0 H THR A 27 2.099 7.575 -10.004 1.00 0.00 H new ATOM 0 HA THR A 27 0.709 10.001 -9.295 1.00 0.00 H new ATOM 0 HB THR A 27 0.346 8.605 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.382 6.524 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.736 6.696 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.032 8.217 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.182 7.064 -9.832 1.00 0.00 H new ATOM 437 N LEU A 28 3.487 9.455 -7.618 1.00 0.00 N ATOM 438 CA LEU A 28 4.499 10.177 -6.796 1.00 0.00 C ATOM 439 C LEU A 28 5.090 11.331 -7.606 1.00 0.00 C ATOM 440 O LEU A 28 5.349 12.399 -7.089 1.00 0.00 O ATOM 441 CB LEU A 28 5.567 9.125 -6.476 1.00 0.00 C ATOM 442 CG LEU A 28 6.901 9.795 -6.109 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.641 10.207 -7.383 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.652 11.033 -5.240 1.00 0.00 C ATOM 0 H LEU A 28 3.683 8.467 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 28 4.078 10.610 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.230 8.498 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.708 8.470 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 28 7.508 9.083 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.586 10.681 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.837 9.324 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.029 10.909 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.605 11.498 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.035 11.745 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.138 10.738 -4.325 1.00 0.00 H new ATOM 456 N CYS A 29 5.298 11.124 -8.876 1.00 0.00 N ATOM 457 CA CYS A 29 5.867 12.208 -9.723 1.00 0.00 C ATOM 458 C CYS A 29 5.084 13.508 -9.516 1.00 0.00 C ATOM 459 O CYS A 29 5.626 14.592 -9.598 1.00 0.00 O ATOM 460 CB CYS A 29 5.708 11.713 -11.159 1.00 0.00 C ATOM 461 SG CYS A 29 6.809 12.653 -12.246 1.00 0.00 S ATOM 0 H CYS A 29 5.098 10.251 -9.364 1.00 0.00 H new ATOM 0 HA CYS A 29 6.907 12.420 -9.477 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.943 10.650 -11.217 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.674 11.829 -11.483 1.00 0.00 H new ATOM 0 HG CYS A 29 6.676 12.231 -13.468 1.00 0.00 H new ATOM 467 N GLU A 30 3.808 13.405 -9.263 1.00 0.00 N ATOM 468 CA GLU A 30 2.985 14.626 -9.069 1.00 0.00 C ATOM 469 C GLU A 30 2.828 14.962 -7.580 1.00 0.00 C ATOM 470 O GLU A 30 2.834 16.114 -7.195 1.00 0.00 O ATOM 471 CB GLU A 30 1.630 14.286 -9.689 1.00 0.00 C ATOM 472 CG GLU A 30 0.938 15.572 -10.143 1.00 0.00 C ATOM 473 CD GLU A 30 0.132 15.297 -11.414 1.00 0.00 C ATOM 474 OE1 GLU A 30 -0.061 14.134 -11.730 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.277 16.254 -12.051 1.00 0.00 O ATOM 0 H GLU A 30 3.301 12.524 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 30 3.445 15.500 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.765 13.614 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.008 13.762 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.281 15.941 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.679 16.349 -10.331 1.00 0.00 H new ATOM 482 N LEU A 31 2.674 13.973 -6.740 1.00 0.00 N ATOM 483 CA LEU A 31 2.503 14.259 -5.284 1.00 0.00 C ATOM 484 C LEU A 31 3.859 14.506 -4.616 1.00 0.00 C ATOM 485 O LEU A 31 4.088 15.543 -4.028 1.00 0.00 O ATOM 486 CB LEU A 31 1.838 13.007 -4.715 1.00 0.00 C ATOM 487 CG LEU A 31 0.535 12.740 -5.470 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.324 11.232 -5.615 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.639 13.348 -4.698 1.00 0.00 C ATOM 0 H LEU A 31 2.659 12.986 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 31 1.908 15.155 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.507 12.152 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.635 13.140 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 31 0.593 13.194 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.605 11.045 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.158 10.800 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.269 10.776 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.567 13.157 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.696 12.897 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.492 14.423 -4.599 1.00 0.00 H new ATOM 501 N GLY A 32 4.765 13.572 -4.707 1.00 0.00 N ATOM 502 CA GLY A 32 6.102 13.774 -4.080 1.00 0.00 C ATOM 503 C GLY A 32 6.252 12.872 -2.850 1.00 0.00 C ATOM 504 O GLY A 32 7.186 13.015 -2.087 1.00 0.00 O ATOM 0 H GLY A 32 4.639 12.681 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.888 13.551 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.222 14.818 -3.791 1.00 0.00 H new ATOM 508 N HIS A 33 5.338 11.953 -2.652 1.00 0.00 N ATOM 509 CA HIS A 33 5.418 11.036 -1.474 1.00 0.00 C ATOM 510 C HIS A 33 6.879 10.706 -1.145 1.00 0.00 C ATOM 511 O HIS A 33 7.733 10.705 -2.008 1.00 0.00 O ATOM 512 CB HIS A 33 4.657 9.781 -1.910 1.00 0.00 C ATOM 513 CG HIS A 33 3.178 10.040 -1.799 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.257 9.520 -2.700 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.447 10.773 -0.899 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.035 9.947 -2.322 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.096 10.713 -1.229 1.00 0.00 N ATOM 0 H HIS A 33 4.535 11.799 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 33 4.995 11.479 -0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.917 9.520 -2.936 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.939 8.934 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.858 11.315 -0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.120 9.700 -2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.319 11.158 -0.741 1.00 0.00 H new ATOM 525 N GLU A 34 7.174 10.443 0.100 1.00 0.00 N ATOM 526 CA GLU A 34 8.583 10.131 0.486 1.00 0.00 C ATOM 527 C GLU A 34 9.038 8.810 -0.139 1.00 0.00 C ATOM 528 O GLU A 34 9.421 7.885 0.549 1.00 0.00 O ATOM 529 CB GLU A 34 8.565 10.028 2.011 1.00 0.00 C ATOM 530 CG GLU A 34 9.815 10.702 2.580 1.00 0.00 C ATOM 531 CD GLU A 34 9.601 11.011 4.062 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.078 10.154 4.757 1.00 0.00 O ATOM 533 OE2 GLU A 34 9.962 12.100 4.479 1.00 0.00 O ATOM 0 H GLU A 34 6.501 10.430 0.867 1.00 0.00 H new ATOM 0 HA GLU A 34 9.278 10.894 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.669 10.504 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.532 8.982 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.680 10.051 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.026 11.621 2.033 1.00 0.00 H new ATOM 540 N VAL A 35 9.005 8.721 -1.439 1.00 0.00 N ATOM 541 CA VAL A 35 9.442 7.469 -2.119 1.00 0.00 C ATOM 542 C VAL A 35 8.550 6.296 -1.713 1.00 0.00 C ATOM 543 O VAL A 35 8.421 5.972 -0.548 1.00 0.00 O ATOM 544 CB VAL A 35 10.875 7.235 -1.646 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.531 6.165 -2.520 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.669 8.538 -1.756 1.00 0.00 C ATOM 0 H VAL A 35 8.693 9.465 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 35 9.377 7.554 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 35 10.865 6.902 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.554 5.997 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.966 5.236 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.541 6.498 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.692 8.370 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.680 8.871 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.202 9.302 -1.134 1.00 0.00 H new ATOM 556 N ALA A 36 7.941 5.654 -2.668 1.00 0.00 N ATOM 557 CA ALA A 36 7.065 4.500 -2.355 1.00 0.00 C ATOM 558 C ALA A 36 7.825 3.199 -2.612 1.00 0.00 C ATOM 559 O ALA A 36 9.039 3.163 -2.594 1.00 0.00 O ATOM 560 CB ALA A 36 5.882 4.636 -3.318 1.00 0.00 C ATOM 0 H ALA A 36 8.015 5.883 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 36 6.739 4.483 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.182 3.817 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.377 5.586 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.244 4.602 -4.346 1.00 0.00 H new ATOM 566 N ALA A 37 7.122 2.135 -2.865 1.00 0.00 N ATOM 567 CA ALA A 37 7.804 0.843 -3.140 1.00 0.00 C ATOM 568 C ALA A 37 7.328 0.311 -4.490 1.00 0.00 C ATOM 569 O ALA A 37 6.157 0.377 -4.808 1.00 0.00 O ATOM 570 CB ALA A 37 7.379 -0.085 -2.004 1.00 0.00 C ATOM 0 H ALA A 37 6.103 2.103 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 37 8.889 0.933 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.844 -1.062 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.694 0.339 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.295 -0.196 -2.011 1.00 0.00 H new ATOM 576 N THR A 38 8.227 -0.196 -5.292 1.00 0.00 N ATOM 577 CA THR A 38 7.831 -0.712 -6.631 1.00 0.00 C ATOM 578 C THR A 38 8.126 -2.206 -6.736 1.00 0.00 C ATOM 579 O THR A 38 9.055 -2.714 -6.141 1.00 0.00 O ATOM 580 CB THR A 38 8.692 0.072 -7.624 1.00 0.00 C ATOM 581 OG1 THR A 38 8.249 1.420 -7.671 1.00 0.00 O ATOM 582 CG2 THR A 38 8.573 -0.554 -9.014 1.00 0.00 C ATOM 0 H THR A 38 9.221 -0.274 -5.075 1.00 0.00 H new ATOM 0 HA THR A 38 6.765 -0.587 -6.821 1.00 0.00 H new ATOM 0 HB THR A 38 9.733 0.042 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.801 1.924 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.187 0.006 -9.719 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.914 -1.588 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.532 -0.527 -9.338 1.00 0.00 H new ATOM 590 N ALA A 39 7.337 -2.910 -7.493 1.00 0.00 N ATOM 591 CA ALA A 39 7.557 -4.374 -7.645 1.00 0.00 C ATOM 592 C ALA A 39 7.622 -5.013 -6.267 1.00 0.00 C ATOM 593 O ALA A 39 7.558 -4.331 -5.275 1.00 0.00 O ATOM 594 CB ALA A 39 8.895 -4.494 -8.359 1.00 0.00 C ATOM 0 H ALA A 39 6.546 -2.534 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 39 6.761 -4.872 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.133 -5.547 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.838 -3.992 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.673 -4.030 -7.754 1.00 0.00 H new ATOM 600 N SER A 40 7.742 -6.308 -6.190 1.00 0.00 N ATOM 601 CA SER A 40 7.804 -6.961 -4.852 1.00 0.00 C ATOM 602 C SER A 40 9.261 -7.198 -4.447 1.00 0.00 C ATOM 603 O SER A 40 10.053 -7.716 -5.208 1.00 0.00 O ATOM 604 CB SER A 40 7.048 -8.272 -5.013 1.00 0.00 C ATOM 605 OG SER A 40 7.818 -9.172 -5.798 1.00 0.00 O ATOM 0 H SER A 40 7.800 -6.940 -6.989 1.00 0.00 H new ATOM 0 HA SER A 40 7.364 -6.347 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.844 -8.709 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.084 -8.092 -5.489 1.00 0.00 H new ATOM 0 HG SER A 40 8.749 -8.867 -5.827 1.00 0.00 H new ATOM 611 N ARG A 41 9.622 -6.805 -3.255 1.00 0.00 N ATOM 612 CA ARG A 41 11.024 -6.986 -2.799 1.00 0.00 C ATOM 613 C ARG A 41 11.061 -7.455 -1.344 1.00 0.00 C ATOM 614 O ARG A 41 10.516 -6.819 -0.464 1.00 0.00 O ATOM 615 CB ARG A 41 11.655 -5.601 -2.924 1.00 0.00 C ATOM 616 CG ARG A 41 13.169 -5.736 -3.091 1.00 0.00 C ATOM 617 CD ARG A 41 13.550 -5.414 -4.538 1.00 0.00 C ATOM 618 NE ARG A 41 15.006 -5.103 -4.496 1.00 0.00 N ATOM 619 CZ ARG A 41 15.568 -4.475 -5.494 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.126 -3.302 -5.859 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.571 -5.021 -6.128 1.00 0.00 N ATOM 0 H ARG A 41 9.001 -6.365 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 41 11.552 -7.738 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.231 -5.074 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.429 -5.007 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.683 -5.059 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.486 -6.747 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.346 -6.258 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.977 -4.568 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 41 15.564 -5.380 -3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.342 -2.876 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.565 -2.812 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.916 -5.938 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.010 -4.530 -6.907 1.00 0.00 H new ATOM 635 N MET A 42 11.701 -8.559 -1.083 1.00 0.00 N ATOM 636 CA MET A 42 11.774 -9.067 0.313 1.00 0.00 C ATOM 637 C MET A 42 12.611 -8.124 1.183 1.00 0.00 C ATOM 638 O MET A 42 12.329 -7.926 2.349 1.00 0.00 O ATOM 639 CB MET A 42 12.451 -10.433 0.202 1.00 0.00 C ATOM 640 CG MET A 42 11.580 -11.371 -0.634 1.00 0.00 C ATOM 641 SD MET A 42 12.295 -13.034 -0.615 1.00 0.00 S ATOM 642 CE MET A 42 11.847 -13.449 1.089 1.00 0.00 C ATOM 0 H MET A 42 12.178 -9.133 -1.779 1.00 0.00 H new ATOM 0 HA MET A 42 10.790 -9.133 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.434 -10.327 -0.258 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.607 -10.854 1.195 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.566 -11.395 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.511 -11.005 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.356 -14.422 1.109 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.747 -13.483 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.168 -12.692 1.481 1.00 0.00 H new ATOM 652 N GLN A 43 13.640 -7.542 0.628 1.00 0.00 N ATOM 653 CA GLN A 43 14.491 -6.615 1.430 1.00 0.00 C ATOM 654 C GLN A 43 13.652 -5.433 1.915 1.00 0.00 C ATOM 655 O GLN A 43 13.562 -5.165 3.096 1.00 0.00 O ATOM 656 CB GLN A 43 15.584 -6.143 0.472 1.00 0.00 C ATOM 657 CG GLN A 43 16.594 -5.278 1.232 1.00 0.00 C ATOM 658 CD GLN A 43 18.007 -5.819 1.001 1.00 0.00 C ATOM 659 OE1 GLN A 43 18.357 -6.180 -0.105 1.00 0.00 O ATOM 660 NE2 GLN A 43 18.840 -5.892 2.004 1.00 0.00 N ATOM 0 H GLN A 43 13.928 -7.667 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 43 14.912 -7.096 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 43 16.087 -7.001 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 43 15.144 -5.572 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.530 -4.244 0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.362 -5.280 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.547 -5.589 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.783 -6.252 1.858 1.00 0.00 H new ATOM 669 N GLU A 44 13.031 -4.729 1.009 1.00 0.00 N ATOM 670 CA GLU A 44 12.191 -3.574 1.414 1.00 0.00 C ATOM 671 C GLU A 44 10.909 -4.076 2.085 1.00 0.00 C ATOM 672 O GLU A 44 10.511 -3.591 3.125 1.00 0.00 O ATOM 673 CB GLU A 44 11.873 -2.838 0.112 1.00 0.00 C ATOM 674 CG GLU A 44 13.000 -1.852 -0.203 1.00 0.00 C ATOM 675 CD GLU A 44 13.601 -2.180 -1.571 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.864 -2.643 -2.425 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.790 -1.963 -1.740 1.00 0.00 O ATOM 0 H GLU A 44 13.071 -4.906 0.005 1.00 0.00 H new ATOM 0 HA GLU A 44 12.691 -2.922 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.761 -3.552 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.925 -2.307 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.616 -0.832 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.770 -1.906 0.566 1.00 0.00 H new ATOM 684 N ALA A 45 10.264 -5.053 1.503 1.00 0.00 N ATOM 685 CA ALA A 45 9.014 -5.589 2.117 1.00 0.00 C ATOM 686 C ALA A 45 9.237 -5.843 3.608 1.00 0.00 C ATOM 687 O ALA A 45 8.336 -5.714 4.412 1.00 0.00 O ATOM 688 CB ALA A 45 8.739 -6.900 1.379 1.00 0.00 C ATOM 0 H ALA A 45 10.548 -5.501 0.632 1.00 0.00 H new ATOM 0 HA ALA A 45 8.176 -4.897 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.832 -7.357 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.610 -6.699 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.579 -7.580 1.520 1.00 0.00 H new ATOM 694 N LEU A 46 10.434 -6.196 3.986 1.00 0.00 N ATOM 695 CA LEU A 46 10.715 -6.443 5.424 1.00 0.00 C ATOM 696 C LEU A 46 10.669 -5.117 6.184 1.00 0.00 C ATOM 697 O LEU A 46 10.169 -5.034 7.287 1.00 0.00 O ATOM 698 CB LEU A 46 12.124 -7.032 5.456 1.00 0.00 C ATOM 699 CG LEU A 46 12.511 -7.369 6.897 1.00 0.00 C ATOM 700 CD1 LEU A 46 12.921 -8.839 6.984 1.00 0.00 C ATOM 701 CD2 LEU A 46 13.689 -6.492 7.326 1.00 0.00 C ATOM 0 H LEU A 46 11.229 -6.324 3.360 1.00 0.00 H new ATOM 0 HA LEU A 46 9.990 -7.111 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.167 -7.929 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.835 -6.321 5.035 1.00 0.00 H new ATOM 0 HG LEU A 46 11.660 -7.187 7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.197 -9.080 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.086 -9.468 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.773 -9.019 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.966 -6.731 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.539 -6.677 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.403 -5.442 7.263 1.00 0.00 H new ATOM 713 N ASP A 47 11.184 -4.077 5.591 1.00 0.00 N ATOM 714 CA ASP A 47 11.172 -2.751 6.265 1.00 0.00 C ATOM 715 C ASP A 47 9.732 -2.342 6.594 1.00 0.00 C ATOM 716 O ASP A 47 9.477 -1.674 7.575 1.00 0.00 O ATOM 717 CB ASP A 47 11.791 -1.791 5.248 1.00 0.00 C ATOM 718 CG ASP A 47 12.383 -0.585 5.978 1.00 0.00 C ATOM 719 OD1 ASP A 47 13.170 -0.796 6.885 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.040 0.529 5.616 1.00 0.00 O ATOM 0 H ASP A 47 11.614 -4.089 4.666 1.00 0.00 H new ATOM 0 HA ASP A 47 11.721 -2.754 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.567 -2.301 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.035 -1.462 4.535 1.00 0.00 H new ATOM 725 N ILE A 48 8.790 -2.740 5.782 1.00 0.00 N ATOM 726 CA ILE A 48 7.371 -2.380 6.046 1.00 0.00 C ATOM 727 C ILE A 48 6.660 -3.545 6.746 1.00 0.00 C ATOM 728 O ILE A 48 5.526 -3.437 7.167 1.00 0.00 O ATOM 729 CB ILE A 48 6.748 -2.077 4.673 1.00 0.00 C ATOM 730 CG1 ILE A 48 6.315 -3.373 3.983 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.768 -1.355 3.790 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.887 -3.066 2.545 1.00 0.00 C ATOM 0 H ILE A 48 8.945 -3.301 4.944 1.00 0.00 H new ATOM 0 HA ILE A 48 7.279 -1.517 6.705 1.00 0.00 H new ATOM 0 HB ILE A 48 5.874 -1.443 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.136 -4.090 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.491 -3.831 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.322 -1.142 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.064 -0.420 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.646 -1.988 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.578 -3.988 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.053 -2.364 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.724 -2.627 2.002 1.00 0.00 H new ATOM 744 N ALA A 49 7.316 -4.665 6.865 1.00 0.00 N ATOM 745 CA ALA A 49 6.681 -5.831 7.530 1.00 0.00 C ATOM 746 C ALA A 49 6.943 -5.802 9.040 1.00 0.00 C ATOM 747 O ALA A 49 6.083 -6.134 9.832 1.00 0.00 O ATOM 748 CB ALA A 49 7.343 -7.056 6.901 1.00 0.00 C ATOM 0 H ALA A 49 8.266 -4.821 6.529 1.00 0.00 H new ATOM 0 HA ALA A 49 5.599 -5.834 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.926 -7.961 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.159 -7.057 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.417 -7.024 7.085 1.00 0.00 H new ATOM 754 N ARG A 50 8.124 -5.420 9.447 1.00 0.00 N ATOM 755 CA ARG A 50 8.432 -5.389 10.904 1.00 0.00 C ATOM 756 C ARG A 50 8.402 -3.950 11.433 1.00 0.00 C ATOM 757 O ARG A 50 8.556 -3.715 12.615 1.00 0.00 O ATOM 758 CB ARG A 50 9.847 -5.975 11.073 1.00 0.00 C ATOM 759 CG ARG A 50 10.250 -6.830 9.862 1.00 0.00 C ATOM 760 CD ARG A 50 9.190 -7.900 9.599 1.00 0.00 C ATOM 761 NE ARG A 50 9.629 -9.078 10.396 1.00 0.00 N ATOM 762 CZ ARG A 50 9.200 -10.270 10.087 1.00 0.00 C ATOM 763 NH1 ARG A 50 9.669 -10.878 9.032 1.00 0.00 N ATOM 764 NH2 ARG A 50 8.305 -10.856 10.833 1.00 0.00 N ATOM 0 H ARG A 50 8.886 -5.129 8.835 1.00 0.00 H new ATOM 0 HA ARG A 50 7.693 -5.963 11.463 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.564 -5.165 11.203 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.885 -6.582 11.977 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.365 -6.197 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.216 -7.301 10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.201 -7.561 9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.128 -8.142 8.538 1.00 0.00 H new ATOM 0 HE ARG A 50 10.265 -8.953 11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.371 -10.421 8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.334 -11.810 8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.940 -10.382 11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.970 -11.788 10.590 1.00 0.00 H new ATOM 778 N LYS A 51 8.222 -2.986 10.572 1.00 0.00 N ATOM 779 CA LYS A 51 8.203 -1.571 11.034 1.00 0.00 C ATOM 780 C LYS A 51 6.798 -1.161 11.483 1.00 0.00 C ATOM 781 O LYS A 51 6.614 -0.609 12.550 1.00 0.00 O ATOM 782 CB LYS A 51 8.637 -0.752 9.820 1.00 0.00 C ATOM 783 CG LYS A 51 8.567 0.737 10.156 1.00 0.00 C ATOM 784 CD LYS A 51 9.323 1.541 9.097 1.00 0.00 C ATOM 785 CE LYS A 51 10.831 1.362 9.292 1.00 0.00 C ATOM 786 NZ LYS A 51 11.270 0.519 8.145 1.00 0.00 N ATOM 0 H LYS A 51 8.087 -3.118 9.570 1.00 0.00 H new ATOM 0 HA LYS A 51 8.858 -1.416 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.652 -1.023 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.993 -0.974 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.527 1.061 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.998 0.918 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.034 1.209 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.060 2.596 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.345 2.323 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.051 0.879 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.157 0.034 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.537 -0.187 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.423 1.121 7.311 1.00 0.00 H new ATOM 800 N GLY A 52 5.805 -1.415 10.677 1.00 0.00 N ATOM 801 CA GLY A 52 4.421 -1.023 11.067 1.00 0.00 C ATOM 802 C GLY A 52 4.422 0.450 11.480 1.00 0.00 C ATOM 803 O GLY A 52 3.766 0.845 12.424 1.00 0.00 O ATOM 0 H GLY A 52 5.890 -1.874 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.736 -1.181 10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.071 -1.645 11.890 1.00 0.00 H new ATOM 807 N GLN A 53 5.163 1.264 10.777 1.00 0.00 N ATOM 808 CA GLN A 53 5.224 2.716 11.117 1.00 0.00 C ATOM 809 C GLN A 53 4.958 3.559 9.867 1.00 0.00 C ATOM 810 O GLN A 53 4.374 4.622 9.933 1.00 0.00 O ATOM 811 CB GLN A 53 6.652 2.942 11.612 1.00 0.00 C ATOM 812 CG GLN A 53 6.623 3.685 12.949 1.00 0.00 C ATOM 813 CD GLN A 53 7.844 4.602 13.046 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.725 5.806 12.938 1.00 0.00 O ATOM 815 NE2 GLN A 53 9.023 4.078 13.244 1.00 0.00 N ATOM 0 H GLN A 53 5.732 0.985 9.978 1.00 0.00 H new ATOM 0 HA GLN A 53 4.480 3.000 11.861 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.163 1.986 11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.215 3.518 10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.707 4.270 13.033 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.623 2.973 13.774 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.123 3.067 13.335 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.844 4.680 13.308 1.00 0.00 H new ATOM 824 N PHE A 54 5.389 3.091 8.728 1.00 0.00 N ATOM 825 CA PHE A 54 5.167 3.860 7.469 1.00 0.00 C ATOM 826 C PHE A 54 3.685 4.196 7.309 1.00 0.00 C ATOM 827 O PHE A 54 2.898 4.041 8.223 1.00 0.00 O ATOM 828 CB PHE A 54 5.617 2.927 6.345 1.00 0.00 C ATOM 829 CG PHE A 54 4.973 1.575 6.531 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.654 1.356 6.114 1.00 0.00 C ATOM 831 CD2 PHE A 54 5.696 0.541 7.130 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.064 0.100 6.296 1.00 0.00 C ATOM 833 CE2 PHE A 54 5.107 -0.711 7.314 1.00 0.00 C ATOM 834 CZ PHE A 54 3.790 -0.934 6.896 1.00 0.00 C ATOM 0 H PHE A 54 5.886 2.208 8.614 1.00 0.00 H new ATOM 0 HA PHE A 54 5.715 4.802 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.340 3.345 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.703 2.829 6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.093 2.155 5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.713 0.711 7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.048 -0.071 5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.668 -1.508 7.779 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.335 -1.903 7.037 1.00 0.00 H new ATOM 844 N ASP A 55 3.299 4.654 6.152 1.00 0.00 N ATOM 845 CA ASP A 55 1.869 5.000 5.929 1.00 0.00 C ATOM 846 C ASP A 55 1.106 3.796 5.371 1.00 0.00 C ATOM 847 O ASP A 55 0.025 3.475 5.821 1.00 0.00 O ATOM 848 CB ASP A 55 1.885 6.141 4.911 1.00 0.00 C ATOM 849 CG ASP A 55 0.738 7.107 5.212 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.867 7.874 6.152 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.252 7.060 4.501 1.00 0.00 O ATOM 0 H ASP A 55 3.912 4.804 5.351 1.00 0.00 H new ATOM 0 HA ASP A 55 1.371 5.287 6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.839 6.667 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.785 5.743 3.901 1.00 0.00 H new ATOM 856 N ILE A 56 1.636 3.129 4.384 1.00 0.00 N ATOM 857 CA ILE A 56 0.886 1.972 3.824 1.00 0.00 C ATOM 858 C ILE A 56 1.811 0.851 3.359 1.00 0.00 C ATOM 859 O ILE A 56 3.015 1.004 3.297 1.00 0.00 O ATOM 860 CB ILE A 56 0.124 2.563 2.649 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.969 3.489 3.207 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.469 1.425 1.807 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.194 3.492 2.299 1.00 0.00 C ATOM 0 H ILE A 56 2.537 3.329 3.949 1.00 0.00 H new ATOM 0 HA ILE A 56 0.238 1.513 4.570 1.00 0.00 H new ATOM 0 HB ILE A 56 0.781 3.145 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.253 3.162 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.579 4.502 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.017 1.844 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.335 0.788 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.147 0.833 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.953 4.154 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.911 3.843 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.595 2.481 2.226 1.00 0.00 H new ATOM 875 N ALA A 57 1.248 -0.291 3.048 1.00 0.00 N ATOM 876 CA ALA A 57 2.087 -1.437 2.605 1.00 0.00 C ATOM 877 C ALA A 57 1.302 -2.369 1.678 1.00 0.00 C ATOM 878 O ALA A 57 0.516 -3.175 2.127 1.00 0.00 O ATOM 879 CB ALA A 57 2.407 -2.163 3.906 1.00 0.00 C ATOM 0 H ALA A 57 0.245 -0.475 3.083 1.00 0.00 H new ATOM 0 HA ALA A 57 2.968 -1.117 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.028 -3.034 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.942 -1.490 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.480 -2.485 4.380 1.00 0.00 H new ATOM 885 N ILE A 58 1.532 -2.314 0.396 1.00 0.00 N ATOM 886 CA ILE A 58 0.805 -3.244 -0.504 1.00 0.00 C ATOM 887 C ILE A 58 1.768 -4.331 -0.959 1.00 0.00 C ATOM 888 O ILE A 58 2.845 -4.067 -1.453 1.00 0.00 O ATOM 889 CB ILE A 58 0.298 -2.414 -1.680 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.853 -1.526 -1.210 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.196 -3.345 -2.790 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.352 -0.088 -1.070 1.00 0.00 C ATOM 0 H ILE A 58 2.183 -1.674 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.037 -3.730 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 58 1.107 -1.793 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.676 -1.569 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.239 -1.884 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.558 -2.751 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.624 -3.981 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.006 -3.967 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.169 0.551 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.458 -0.054 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.013 0.266 -2.034 1.00 0.00 H new ATOM 904 N ILE A 59 1.380 -5.546 -0.770 1.00 0.00 N ATOM 905 CA ILE A 59 2.243 -6.691 -1.151 1.00 0.00 C ATOM 906 C ILE A 59 1.363 -7.860 -1.599 1.00 0.00 C ATOM 907 O ILE A 59 1.140 -8.801 -0.865 1.00 0.00 O ATOM 908 CB ILE A 59 3.030 -7.031 0.126 1.00 0.00 C ATOM 909 CG1 ILE A 59 4.068 -5.944 0.391 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.727 -8.378 -0.032 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.587 -5.058 1.543 1.00 0.00 C ATOM 0 H ILE A 59 0.483 -5.806 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 59 2.916 -6.469 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 59 2.338 -7.086 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.029 -6.395 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.220 -5.344 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.281 -8.610 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.983 -9.154 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.416 -8.335 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.325 -4.280 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.636 -4.598 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.457 -5.665 2.439 1.00 0.00 H new ATOM 923 N ASP A 60 0.848 -7.794 -2.796 1.00 0.00 N ATOM 924 CA ASP A 60 -0.039 -8.893 -3.288 1.00 0.00 C ATOM 925 C ASP A 60 0.521 -10.260 -2.888 1.00 0.00 C ATOM 926 O ASP A 60 1.715 -10.486 -2.908 1.00 0.00 O ATOM 927 CB ASP A 60 -0.069 -8.746 -4.809 1.00 0.00 C ATOM 928 CG ASP A 60 -1.029 -9.778 -5.403 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.126 -10.859 -4.846 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.656 -9.467 -6.402 1.00 0.00 O ATOM 0 H ASP A 60 1.001 -7.030 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.038 -8.827 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.386 -7.739 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.931 -8.886 -5.218 1.00 0.00 H new ATOM 935 N VAL A 61 -0.339 -11.170 -2.518 1.00 0.00 N ATOM 936 CA VAL A 61 0.128 -12.528 -2.107 1.00 0.00 C ATOM 937 C VAL A 61 -0.476 -13.600 -3.014 1.00 0.00 C ATOM 938 O VAL A 61 -0.541 -14.762 -2.664 1.00 0.00 O ATOM 939 CB VAL A 61 -0.357 -12.705 -0.668 1.00 0.00 C ATOM 940 CG1 VAL A 61 -1.868 -12.923 -0.656 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.329 -13.921 -0.042 1.00 0.00 C ATOM 0 H VAL A 61 -1.349 -11.032 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 61 1.211 -12.625 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.113 -11.809 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.209 -13.049 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.364 -12.060 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.111 -13.816 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.018 -14.046 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.085 -14.813 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.409 -13.771 -0.045 1.00 0.00 H new ATOM 951 N ASN A 62 -0.898 -13.221 -4.182 1.00 0.00 N ATOM 952 CA ASN A 62 -1.477 -14.214 -5.130 1.00 0.00 C ATOM 953 C ASN A 62 -1.005 -13.897 -6.549 1.00 0.00 C ATOM 954 O ASN A 62 -1.443 -14.495 -7.511 1.00 0.00 O ATOM 955 CB ASN A 62 -2.982 -14.030 -5.021 1.00 0.00 C ATOM 956 CG ASN A 62 -3.674 -15.396 -5.029 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.958 -15.939 -6.078 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.960 -15.979 -3.896 1.00 0.00 N ATOM 0 H ASN A 62 -0.868 -12.261 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.176 -15.237 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.226 -13.494 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.344 -13.424 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.421 -16.889 -3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.722 -15.525 -3.014 1.00 0.00 H new ATOM 965 N LEU A 63 -0.104 -12.962 -6.679 1.00 0.00 N ATOM 966 CA LEU A 63 0.415 -12.602 -8.021 1.00 0.00 C ATOM 967 C LEU A 63 1.852 -13.093 -8.138 1.00 0.00 C ATOM 968 O LEU A 63 2.658 -12.892 -7.250 1.00 0.00 O ATOM 969 CB LEU A 63 0.353 -11.076 -8.081 1.00 0.00 C ATOM 970 CG LEU A 63 0.446 -10.614 -9.537 1.00 0.00 C ATOM 971 CD1 LEU A 63 -0.839 -10.993 -10.278 1.00 0.00 C ATOM 972 CD2 LEU A 63 0.626 -9.094 -9.578 1.00 0.00 C ATOM 0 H LEU A 63 0.295 -12.431 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.156 -13.049 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.577 -10.722 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.169 -10.646 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 63 1.298 -11.096 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.772 -10.664 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.970 -12.075 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.691 -10.511 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.692 -8.763 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.226 -8.614 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.540 -8.822 -9.051 1.00 0.00 H new ATOM 984 N ASP A 64 2.173 -13.750 -9.216 1.00 0.00 N ATOM 985 CA ASP A 64 3.557 -14.282 -9.403 1.00 0.00 C ATOM 986 C ASP A 64 3.776 -15.544 -8.554 1.00 0.00 C ATOM 987 O ASP A 64 4.727 -16.271 -8.762 1.00 0.00 O ATOM 988 CB ASP A 64 4.505 -13.161 -8.962 1.00 0.00 C ATOM 989 CG ASP A 64 5.762 -13.183 -9.834 1.00 0.00 C ATOM 990 OD1 ASP A 64 5.619 -13.286 -11.041 1.00 0.00 O ATOM 991 OD2 ASP A 64 6.845 -13.096 -9.280 1.00 0.00 O ATOM 0 H ASP A 64 1.532 -13.945 -9.985 1.00 0.00 H new ATOM 0 HA ASP A 64 3.734 -14.568 -10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.007 -12.195 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.774 -13.290 -7.914 1.00 0.00 H new ATOM 996 N GLY A 65 2.907 -15.835 -7.610 1.00 0.00 N ATOM 997 CA GLY A 65 3.109 -17.072 -6.796 1.00 0.00 C ATOM 998 C GLY A 65 3.032 -16.764 -5.299 1.00 0.00 C ATOM 999 O GLY A 65 3.546 -17.500 -4.481 1.00 0.00 O ATOM 0 H GLY A 65 2.084 -15.280 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.352 -17.811 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.078 -17.512 -7.031 1.00 0.00 H new ATOM 1003 N GLU A 66 2.383 -15.699 -4.933 1.00 0.00 N ATOM 1004 CA GLU A 66 2.256 -15.356 -3.487 1.00 0.00 C ATOM 1005 C GLU A 66 3.607 -14.972 -2.874 1.00 0.00 C ATOM 1006 O GLU A 66 4.046 -15.579 -1.917 1.00 0.00 O ATOM 1007 CB GLU A 66 1.708 -16.618 -2.815 1.00 0.00 C ATOM 1008 CG GLU A 66 0.608 -17.234 -3.683 1.00 0.00 C ATOM 1009 CD GLU A 66 -0.523 -17.745 -2.788 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -0.244 -18.088 -1.651 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -1.649 -17.785 -3.256 1.00 0.00 O ATOM 0 H GLU A 66 1.932 -15.046 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 66 1.603 -14.494 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.512 -17.339 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.312 -16.373 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.225 -16.492 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.014 -18.053 -4.277 1.00 0.00 H new ATOM 1018 N PRO A 67 4.209 -13.957 -3.429 1.00 0.00 N ATOM 1019 CA PRO A 67 5.504 -13.465 -2.912 1.00 0.00 C ATOM 1020 C PRO A 67 5.269 -12.444 -1.788 1.00 0.00 C ATOM 1021 O PRO A 67 6.043 -11.526 -1.600 1.00 0.00 O ATOM 1022 CB PRO A 67 6.124 -12.784 -4.126 1.00 0.00 C ATOM 1023 CG PRO A 67 4.969 -12.380 -4.999 1.00 0.00 C ATOM 1024 CD PRO A 67 3.756 -13.185 -4.586 1.00 0.00 C ATOM 0 HA PRO A 67 6.132 -14.251 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.713 -11.916 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.796 -13.461 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.770 -11.313 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.205 -12.560 -6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.918 -12.537 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.419 -13.837 -5.392 1.00 0.00 H new ATOM 1032 N SER A 68 4.195 -12.585 -1.054 1.00 0.00 N ATOM 1033 CA SER A 68 3.898 -11.610 0.039 1.00 0.00 C ATOM 1034 C SER A 68 4.522 -12.053 1.364 1.00 0.00 C ATOM 1035 O SER A 68 4.173 -11.554 2.412 1.00 0.00 O ATOM 1036 CB SER A 68 2.374 -11.592 0.146 1.00 0.00 C ATOM 1037 OG SER A 68 1.987 -11.862 1.487 1.00 0.00 O ATOM 0 H SER A 68 3.511 -13.333 -1.164 1.00 0.00 H new ATOM 0 HA SER A 68 4.312 -10.625 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.989 -10.621 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.943 -12.336 -0.524 1.00 0.00 H new ATOM 0 HG SER A 68 2.082 -12.820 1.668 1.00 0.00 H new ATOM 1043 N TYR A 69 5.448 -12.969 1.322 1.00 0.00 N ATOM 1044 CA TYR A 69 6.113 -13.439 2.578 1.00 0.00 C ATOM 1045 C TYR A 69 5.085 -13.723 3.680 1.00 0.00 C ATOM 1046 O TYR A 69 3.904 -13.435 3.554 1.00 0.00 O ATOM 1047 CB TYR A 69 7.075 -12.317 3.034 1.00 0.00 C ATOM 1048 CG TYR A 69 7.041 -11.128 2.093 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.864 -11.111 0.965 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.187 -10.046 2.352 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.833 -10.017 0.095 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.156 -8.954 1.483 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.979 -8.938 0.352 1.00 0.00 C ATOM 1054 OH TYR A 69 6.950 -7.860 -0.509 1.00 0.00 O ATOM 0 H TYR A 69 5.778 -13.418 0.468 1.00 0.00 H new ATOM 0 HA TYR A 69 6.649 -14.369 2.388 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.805 -11.993 4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.091 -12.709 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.524 -11.942 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.552 -10.058 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.469 -10.004 -0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.497 -8.122 1.684 1.00 0.00 H new ATOM 0 HH TYR A 69 6.845 -8.179 -1.430 1.00 0.00 H new ATOM 1064 N PRO A 70 5.583 -14.285 4.741 1.00 0.00 N ATOM 1065 CA PRO A 70 4.722 -14.618 5.893 1.00 0.00 C ATOM 1066 C PRO A 70 4.322 -13.345 6.642 1.00 0.00 C ATOM 1067 O PRO A 70 3.621 -13.400 7.633 1.00 0.00 O ATOM 1068 CB PRO A 70 5.610 -15.505 6.761 1.00 0.00 C ATOM 1069 CG PRO A 70 7.010 -15.125 6.399 1.00 0.00 C ATOM 1070 CD PRO A 70 6.983 -14.663 4.966 1.00 0.00 C ATOM 0 HA PRO A 70 3.792 -15.108 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.418 -15.339 7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.425 -16.561 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.376 -14.333 7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.683 -15.974 6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.655 -13.820 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.297 -15.454 4.285 1.00 0.00 H new ATOM 1078 N VAL A 71 4.755 -12.194 6.187 1.00 0.00 N ATOM 1079 CA VAL A 71 4.370 -10.955 6.911 1.00 0.00 C ATOM 1080 C VAL A 71 3.131 -10.321 6.274 1.00 0.00 C ATOM 1081 O VAL A 71 2.119 -10.196 6.927 1.00 0.00 O ATOM 1082 CB VAL A 71 5.588 -10.018 6.900 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.764 -10.715 7.585 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.988 -9.656 5.470 1.00 0.00 C ATOM 0 H VAL A 71 5.344 -12.065 5.365 1.00 0.00 H new ATOM 0 HA VAL A 71 4.095 -11.170 7.944 1.00 0.00 H new ATOM 0 HB VAL A 71 5.325 -9.103 7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.631 -10.055 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.496 -10.954 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.004 -11.634 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.852 -8.992 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.241 -10.564 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.157 -9.154 4.976 1.00 0.00 H new ATOM 1094 N ALA A 72 3.153 -9.963 5.010 1.00 0.00 N ATOM 1095 CA ALA A 72 1.907 -9.407 4.408 1.00 0.00 C ATOM 1096 C ALA A 72 0.782 -10.353 4.789 1.00 0.00 C ATOM 1097 O ALA A 72 -0.324 -9.958 5.104 1.00 0.00 O ATOM 1098 CB ALA A 72 2.138 -9.438 2.910 1.00 0.00 C ATOM 0 H ALA A 72 3.958 -10.030 4.387 1.00 0.00 H new ATOM 0 HA ALA A 72 1.662 -8.398 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.261 -9.043 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.007 -8.829 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.312 -10.465 2.590 1.00 0.00 H new ATOM 1104 N ASP A 73 1.103 -11.616 4.804 1.00 0.00 N ATOM 1105 CA ASP A 73 0.118 -12.642 5.211 1.00 0.00 C ATOM 1106 C ASP A 73 -0.374 -12.328 6.618 1.00 0.00 C ATOM 1107 O ASP A 73 -1.555 -12.221 6.882 1.00 0.00 O ATOM 1108 CB ASP A 73 0.937 -13.913 5.248 1.00 0.00 C ATOM 1109 CG ASP A 73 1.025 -14.523 3.847 1.00 0.00 C ATOM 1110 OD1 ASP A 73 1.362 -13.796 2.927 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.756 -15.706 3.718 1.00 0.00 O ATOM 0 H ASP A 73 2.020 -11.981 4.547 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.748 -12.700 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.938 -13.699 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.484 -14.627 5.936 1.00 0.00 H new ATOM 1116 N ILE A 74 0.557 -12.179 7.519 1.00 0.00 N ATOM 1117 CA ILE A 74 0.206 -11.867 8.933 1.00 0.00 C ATOM 1118 C ILE A 74 -0.396 -10.470 9.001 1.00 0.00 C ATOM 1119 O ILE A 74 -1.390 -10.235 9.661 1.00 0.00 O ATOM 1120 CB ILE A 74 1.529 -11.918 9.696 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.980 -13.375 9.832 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.341 -11.313 11.088 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.435 -13.418 10.299 1.00 0.00 C ATOM 0 H ILE A 74 1.557 -12.261 7.334 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.522 -12.563 9.351 1.00 0.00 H new ATOM 0 HB ILE A 74 2.284 -11.350 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.343 -13.899 10.545 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.879 -13.889 8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.285 -11.350 11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.017 -10.277 10.994 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.587 -11.881 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.756 -14.455 10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.066 -12.910 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.522 -12.920 11.265 1.00 0.00 H new ATOM 1135 N LEU A 75 0.190 -9.549 8.292 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.345 -8.167 8.268 1.00 0.00 C ATOM 1137 C LEU A 75 -1.862 -8.238 8.082 1.00 0.00 C ATOM 1138 O LEU A 75 -2.594 -7.346 8.460 1.00 0.00 O ATOM 1139 CB LEU A 75 0.342 -7.540 7.052 1.00 0.00 C ATOM 1140 CG LEU A 75 0.455 -6.026 7.222 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.499 -5.707 8.294 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.893 -5.411 5.893 1.00 0.00 C ATOM 0 H LEU A 75 1.024 -9.698 7.724 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.162 -7.592 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.334 -7.972 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.224 -7.769 6.149 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.509 -5.616 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.579 -4.627 8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.198 -6.156 9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.465 -6.111 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.977 -4.330 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.860 -5.823 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.155 -5.642 5.125 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.330 -9.310 7.499 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.784 -9.482 7.272 1.00 0.00 C ATOM 1156 C ALA A 76 -4.431 -10.252 8.435 1.00 0.00 C ATOM 1157 O ALA A 76 -5.533 -9.952 8.850 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.864 -10.298 5.982 1.00 0.00 C ATOM 0 H ALA A 76 -1.752 -10.082 7.167 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.311 -8.530 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.909 -10.478 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.385 -9.747 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.355 -11.252 6.123 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.762 -11.248 8.956 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.353 -12.036 10.080 1.00 0.00 C ATOM 1166 C GLU A 77 -4.676 -11.126 11.273 1.00 0.00 C ATOM 1167 O GLU A 77 -5.373 -11.514 12.189 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.284 -13.075 10.450 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.268 -12.471 11.425 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.573 -12.958 12.843 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.686 -12.745 13.294 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.689 -13.537 13.453 1.00 0.00 O ATOM 0 H GLU A 77 -2.836 -11.549 8.654 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.293 -12.509 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.756 -13.948 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.774 -13.418 9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.257 -12.760 11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.312 -11.383 11.385 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.178 -9.922 11.268 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.455 -8.994 12.393 1.00 0.00 C ATOM 1181 C ARG A 78 -4.691 -7.579 11.858 1.00 0.00 C ATOM 1182 O ARG A 78 -5.530 -6.849 12.347 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.201 -9.042 13.265 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.074 -8.263 12.587 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.765 -8.501 13.341 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.473 -7.208 14.017 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.921 -6.986 15.222 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -0.285 -7.470 16.253 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -2.004 -6.279 15.396 1.00 0.00 N ATOM 0 H ARG A 78 -3.588 -9.541 10.528 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.347 -9.274 12.954 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.412 -8.616 14.246 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.897 -10.076 13.425 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.971 -8.580 11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.310 -7.199 12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.867 -9.311 14.064 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.038 -8.781 12.660 1.00 0.00 H new ATOM 0 HE ARG A 78 0.077 -6.495 13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.562 -8.022 16.117 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.635 -7.297 17.195 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.501 -5.900 14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.354 -6.106 16.338 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.964 -7.196 10.847 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.145 -5.844 10.262 1.00 0.00 C ATOM 1205 C ASN A 79 -3.794 -4.749 11.275 1.00 0.00 C ATOM 1206 O ASN A 79 -4.223 -4.764 12.412 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.619 -5.772 9.872 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.076 -7.112 9.289 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.616 -7.942 9.992 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -5.879 -7.360 8.023 1.00 0.00 N ATOM 0 H ASN A 79 -3.248 -7.767 10.399 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.488 -5.684 9.407 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.222 -5.522 10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.771 -4.978 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.179 -8.250 7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.426 -6.664 7.431 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.012 -3.800 10.844 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.595 -2.669 11.721 1.00 0.00 C ATOM 1219 C VAL A 80 -2.699 -1.384 10.872 1.00 0.00 C ATOM 1220 O VAL A 80 -3.276 -1.440 9.807 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.158 -3.069 12.125 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.085 -2.363 11.276 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.944 -2.765 13.611 1.00 0.00 C ATOM 0 H VAL A 80 -2.635 -3.760 9.897 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.189 -2.480 12.615 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.049 -4.138 11.941 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.905 -2.681 11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.222 -2.624 10.227 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.178 -1.284 11.397 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.069 -3.047 13.898 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.089 -1.699 13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.660 -3.332 14.205 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.157 -0.267 11.307 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.258 0.946 10.457 1.00 0.00 C ATOM 1235 C PRO A 81 -1.475 0.698 9.173 1.00 0.00 C ATOM 1236 O PRO A 81 -0.274 0.517 9.192 1.00 0.00 O ATOM 1237 CB PRO A 81 -1.650 2.049 11.308 1.00 0.00 C ATOM 1238 CG PRO A 81 -0.762 1.334 12.270 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.420 0.004 12.550 1.00 0.00 C ATOM 0 HA PRO A 81 -3.273 1.209 10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.087 2.756 10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.420 2.619 11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.234 1.194 11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.642 1.909 13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.686 -0.773 12.762 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.086 0.056 13.411 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.165 0.646 8.066 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.506 0.345 6.769 1.00 0.00 C ATOM 1249 C PHE A 82 -2.548 0.192 5.662 1.00 0.00 C ATOM 1250 O PHE A 82 -3.616 0.770 5.692 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.846 -1.023 6.996 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.891 -2.139 7.012 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.243 -1.872 7.300 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.494 -3.453 6.747 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.181 -2.911 7.322 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.436 -4.494 6.767 1.00 0.00 C ATOM 1257 CZ PHE A 82 -3.777 -4.221 7.056 1.00 0.00 C ATOM 0 H PHE A 82 -3.171 0.802 8.008 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.812 1.132 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.117 -1.214 6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.302 -1.016 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.558 -0.860 7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.459 -3.668 6.526 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.216 -2.700 7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.125 -5.507 6.559 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.500 -5.023 7.073 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.241 -0.651 4.722 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.181 -0.955 3.622 1.00 0.00 C ATOM 1269 C ILE A 83 -2.610 -2.134 2.850 1.00 0.00 C ATOM 1270 O ILE A 83 -1.429 -2.396 2.928 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.281 0.320 2.800 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -4.703 0.874 2.918 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -2.964 0.054 1.321 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.729 -0.224 2.621 1.00 0.00 C ATOM 0 H ILE A 83 -1.354 -1.153 4.672 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.183 -1.240 3.944 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.555 1.038 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.864 1.270 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.836 1.703 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.044 0.984 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.951 -0.339 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.672 -0.673 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.735 0.185 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.577 -0.600 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.605 -1.040 3.333 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.414 -2.866 2.137 1.00 0.00 N ATOM 1287 CA PHE A 84 -2.850 -4.042 1.421 1.00 0.00 C ATOM 1288 C PHE A 84 -3.689 -4.467 0.221 1.00 0.00 C ATOM 1289 O PHE A 84 -4.824 -4.058 0.024 1.00 0.00 O ATOM 1290 CB PHE A 84 -2.856 -5.150 2.467 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.145 -6.371 1.923 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -0.835 -6.262 1.450 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.798 -7.612 1.876 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.185 -7.385 0.937 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.134 -8.734 1.359 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.826 -8.614 0.889 1.00 0.00 C ATOM 0 H PHE A 84 -4.415 -2.708 2.019 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.863 -3.814 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.364 -4.807 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.881 -5.404 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.326 -5.310 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.812 -7.703 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.828 -7.296 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.635 -9.690 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.314 -9.476 0.489 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.127 -5.322 -0.573 1.00 0.00 N ATOM 1307 CA ALA A 85 -3.856 -5.830 -1.747 1.00 0.00 C ATOM 1308 C ALA A 85 -3.428 -7.274 -2.004 1.00 0.00 C ATOM 1309 O ALA A 85 -2.413 -7.720 -1.508 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.441 -4.932 -2.909 1.00 0.00 C ATOM 0 H ALA A 85 -2.184 -5.692 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.937 -5.818 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.949 -5.255 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.715 -3.901 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.363 -4.998 -3.053 1.00 0.00 H new ATOM 1316 N THR A 86 -4.183 -8.017 -2.761 1.00 0.00 N ATOM 1317 CA THR A 86 -3.792 -9.433 -3.019 1.00 0.00 C ATOM 1318 C THR A 86 -4.922 -10.164 -3.753 1.00 0.00 C ATOM 1319 O THR A 86 -6.024 -9.668 -3.867 1.00 0.00 O ATOM 1320 CB THR A 86 -3.561 -10.023 -1.610 1.00 0.00 C ATOM 1321 OG1 THR A 86 -2.171 -10.163 -1.378 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.237 -11.393 -1.466 1.00 0.00 C ATOM 0 H THR A 86 -5.046 -7.711 -3.210 1.00 0.00 H new ATOM 0 HA THR A 86 -2.908 -9.527 -3.650 1.00 0.00 H new ATOM 0 HB THR A 86 -3.998 -9.342 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.832 -9.361 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.058 -11.784 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.310 -11.288 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.825 -12.082 -2.203 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.665 -11.358 -4.213 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.734 -12.139 -4.897 1.00 0.00 C ATOM 1332 C GLY A 87 -6.753 -12.540 -3.833 1.00 0.00 C ATOM 1333 O GLY A 87 -6.968 -13.705 -3.560 1.00 0.00 O ATOM 0 H GLY A 87 -3.761 -11.826 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.207 -11.542 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.316 -13.022 -5.381 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.353 -11.566 -3.212 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.337 -11.835 -2.130 1.00 0.00 C ATOM 1339 C TYR A 88 -9.353 -10.690 -2.074 1.00 0.00 C ATOM 1340 O TYR A 88 -10.527 -10.897 -1.841 1.00 0.00 O ATOM 1341 CB TYR A 88 -7.483 -11.870 -0.859 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.343 -12.149 0.351 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -9.581 -12.783 0.206 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.890 -11.778 1.623 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -10.366 -13.048 1.334 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -8.676 -12.039 2.751 1.00 0.00 C ATOM 1347 CZ TYR A 88 -9.915 -12.676 2.606 1.00 0.00 C ATOM 1348 OH TYR A 88 -10.687 -12.947 3.719 1.00 0.00 O ATOM 0 H TYR A 88 -7.200 -10.578 -3.412 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.903 -12.756 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.715 -12.638 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.968 -10.918 -0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.931 -13.068 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.933 -11.290 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.321 -13.540 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.328 -11.750 3.732 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.258 -13.648 4.252 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.904 -9.479 -2.291 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.838 -8.317 -2.257 1.00 0.00 C ATOM 1360 C GLY A 89 -9.854 -7.718 -0.852 1.00 0.00 C ATOM 1361 O GLY A 89 -10.784 -7.038 -0.466 1.00 0.00 O ATOM 0 H GLY A 89 -7.931 -9.247 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.526 -7.565 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.842 -8.635 -2.540 1.00 0.00 H new ATOM 1365 N SER A 90 -8.830 -7.966 -0.084 1.00 0.00 N ATOM 1366 CA SER A 90 -8.788 -7.412 1.298 1.00 0.00 C ATOM 1367 C SER A 90 -10.151 -7.589 1.971 1.00 0.00 C ATOM 1368 O SER A 90 -11.023 -6.754 1.849 1.00 0.00 O ATOM 1369 CB SER A 90 -8.467 -5.928 1.124 1.00 0.00 C ATOM 1370 OG SER A 90 -7.080 -5.777 0.849 1.00 0.00 O ATOM 0 H SER A 90 -8.022 -8.527 -0.353 1.00 0.00 H new ATOM 0 HA SER A 90 -8.051 -7.915 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.059 -5.509 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.733 -5.378 2.027 1.00 0.00 H new ATOM 0 HG SER A 90 -6.963 -5.208 0.060 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.339 -8.673 2.677 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.644 -8.910 3.360 1.00 0.00 C ATOM 1378 C LYS A 91 -11.982 -7.733 4.271 1.00 0.00 C ATOM 1379 O LYS A 91 -11.750 -7.776 5.463 1.00 0.00 O ATOM 1380 CB LYS A 91 -11.425 -10.171 4.192 1.00 0.00 C ATOM 1381 CG LYS A 91 -10.121 -10.035 4.985 1.00 0.00 C ATOM 1382 CD LYS A 91 -10.137 -10.996 6.177 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.987 -10.654 7.130 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.282 -11.410 8.380 1.00 0.00 N ATOM 0 H LYS A 91 -9.643 -9.406 2.810 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.467 -9.017 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.263 -10.322 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.380 -11.045 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.269 -10.253 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.002 -9.009 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.090 -10.925 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.040 -12.024 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.025 -10.948 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.938 -9.582 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.537 -11.226 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.200 -11.105 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.316 -12.428 8.170 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.513 -6.676 3.727 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.844 -5.499 4.574 1.00 0.00 C ATOM 1400 C GLY A 92 -11.545 -4.814 5.002 1.00 0.00 C ATOM 1401 O GLY A 92 -11.356 -3.634 4.788 1.00 0.00 O ATOM 0 H GLY A 92 -12.732 -6.576 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.473 -4.802 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.411 -5.813 5.450 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.648 -5.546 5.607 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.368 -4.934 6.048 1.00 0.00 C ATOM 1407 C LEU A 93 -9.658 -3.820 7.049 1.00 0.00 C ATOM 1408 O LEU A 93 -10.366 -2.878 6.756 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.737 -4.381 4.776 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.245 -4.178 5.008 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.460 -4.723 3.814 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -6.966 -2.687 5.175 1.00 0.00 C ATOM 0 H LEU A 93 -10.749 -6.540 5.813 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.704 -5.643 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.898 -5.069 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.207 -3.436 4.503 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.936 -4.710 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.393 -4.577 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.666 -5.787 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.760 -4.194 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.900 -2.533 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.273 -2.156 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.526 -2.306 6.029 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.134 -3.928 8.234 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.403 -2.881 9.256 1.00 0.00 C ATOM 1426 C ASP A 94 -8.152 -2.057 9.529 1.00 0.00 C ATOM 1427 O ASP A 94 -7.063 -2.581 9.651 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.831 -3.652 10.500 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.670 -4.518 10.993 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.430 -5.551 10.391 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.042 -4.134 11.966 1.00 0.00 O ATOM 0 H ASP A 94 -8.533 -4.693 8.540 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.166 -2.174 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.138 -2.958 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.694 -4.278 10.273 1.00 0.00 H new ATOM 1436 N THR A 95 -8.304 -0.768 9.625 1.00 0.00 N ATOM 1437 CA THR A 95 -7.131 0.101 9.884 1.00 0.00 C ATOM 1438 C THR A 95 -7.580 1.558 9.982 1.00 0.00 C ATOM 1439 O THR A 95 -8.676 1.907 9.590 1.00 0.00 O ATOM 1440 CB THR A 95 -6.230 -0.110 8.667 1.00 0.00 C ATOM 1441 OG1 THR A 95 -4.999 0.571 8.852 1.00 0.00 O ATOM 1442 CG2 THR A 95 -6.935 0.401 7.409 1.00 0.00 C ATOM 0 H THR A 95 -9.195 -0.279 9.535 1.00 0.00 H new ATOM 0 HA THR A 95 -6.620 -0.135 10.818 1.00 0.00 H new ATOM 0 HB THR A 95 -6.026 -1.174 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.326 -0.056 9.190 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.290 0.249 6.543 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.867 -0.145 7.267 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.150 1.464 7.519 1.00 0.00 H new ATOM 1450 N ARG A 96 -6.741 2.415 10.489 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.120 3.852 10.595 1.00 0.00 C ATOM 1452 C ARG A 96 -7.190 4.473 9.199 1.00 0.00 C ATOM 1453 O ARG A 96 -7.500 5.637 9.040 1.00 0.00 O ATOM 1454 CB ARG A 96 -5.990 4.496 11.399 1.00 0.00 C ATOM 1455 CG ARG A 96 -5.831 3.765 12.735 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.197 3.634 13.413 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.677 5.034 13.578 1.00 0.00 N ATOM 1458 CZ ARG A 96 -8.850 5.267 14.103 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -9.221 4.632 15.182 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -9.649 6.138 13.550 1.00 0.00 N ATOM 0 H ARG A 96 -5.810 2.184 10.835 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.093 3.993 11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.058 4.452 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.208 5.550 11.573 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.398 2.778 12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.144 4.312 13.381 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.886 3.049 12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.114 3.129 14.375 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.089 5.812 13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.595 3.954 15.615 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.137 4.814 15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.357 6.636 12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.565 6.321 13.959 1.00 0.00 H new ATOM 1474 N TYR A 97 -6.870 3.710 8.188 1.00 0.00 N ATOM 1475 CA TYR A 97 -6.879 4.259 6.804 1.00 0.00 C ATOM 1476 C TYR A 97 -8.279 4.252 6.181 1.00 0.00 C ATOM 1477 O TYR A 97 -8.542 4.986 5.249 1.00 0.00 O ATOM 1478 CB TYR A 97 -5.927 3.345 6.051 1.00 0.00 C ATOM 1479 CG TYR A 97 -4.530 3.855 6.272 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -4.140 5.081 5.732 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -3.638 3.113 7.045 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -2.849 5.565 5.961 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -2.347 3.596 7.283 1.00 0.00 C ATOM 1484 CZ TYR A 97 -1.951 4.825 6.739 1.00 0.00 C ATOM 1485 OH TYR A 97 -0.682 5.314 6.980 1.00 0.00 O ATOM 0 H TYR A 97 -6.602 2.729 8.263 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.577 5.306 6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.020 2.319 6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.167 3.336 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -4.835 5.655 5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.944 2.164 7.460 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.544 6.511 5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.657 3.023 7.885 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.082 4.571 7.200 1.00 0.00 H new ATOM 1495 N SER A 98 -9.183 3.449 6.678 1.00 0.00 N ATOM 1496 CA SER A 98 -10.561 3.431 6.103 1.00 0.00 C ATOM 1497 C SER A 98 -10.561 2.795 4.715 1.00 0.00 C ATOM 1498 O SER A 98 -11.169 3.308 3.798 1.00 0.00 O ATOM 1499 CB SER A 98 -10.976 4.900 6.002 1.00 0.00 C ATOM 1500 OG SER A 98 -10.423 5.619 7.097 1.00 0.00 O ATOM 0 H SER A 98 -9.028 2.807 7.455 1.00 0.00 H new ATOM 0 HA SER A 98 -11.244 2.849 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.628 5.324 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.063 4.984 6.008 1.00 0.00 H new ATOM 0 HG SER A 98 -10.685 6.561 7.035 1.00 0.00 H new ATOM 1506 N ASN A 99 -9.907 1.681 4.547 1.00 0.00 N ATOM 1507 CA ASN A 99 -9.912 1.038 3.202 1.00 0.00 C ATOM 1508 C ASN A 99 -9.446 2.025 2.120 1.00 0.00 C ATOM 1509 O ASN A 99 -10.154 2.942 1.753 1.00 0.00 O ATOM 1510 CB ASN A 99 -11.374 0.668 2.988 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.627 -0.752 3.495 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.525 -1.425 3.029 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -10.869 -1.241 4.437 1.00 0.00 N ATOM 0 H ASN A 99 -9.377 1.193 5.269 1.00 0.00 H new ATOM 0 HA ASN A 99 -9.239 0.183 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.018 1.372 3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.625 0.736 1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.030 -2.187 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.115 -0.677 4.829 1.00 0.00 H new ATOM 1520 N ILE A 100 -8.261 1.841 1.605 1.00 0.00 N ATOM 1521 CA ILE A 100 -7.742 2.762 0.545 1.00 0.00 C ATOM 1522 C ILE A 100 -7.647 1.974 -0.791 1.00 0.00 C ATOM 1523 O ILE A 100 -8.608 1.306 -1.118 1.00 0.00 O ATOM 1524 CB ILE A 100 -6.396 3.229 1.090 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -6.451 3.370 2.605 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -6.032 4.595 0.513 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -5.069 3.789 3.069 1.00 0.00 C ATOM 0 H ILE A 100 -7.625 1.090 1.872 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.373 3.624 0.328 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.652 2.484 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.195 4.112 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.743 2.428 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.069 4.914 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.970 4.526 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.797 5.321 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.068 3.901 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.343 3.029 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.802 4.739 2.606 1.00 0.00 H new ATOM 1539 N PRO A 101 -6.547 2.008 -1.557 1.00 0.00 N ATOM 1540 CA PRO A 101 -6.547 1.197 -2.812 1.00 0.00 C ATOM 1541 C PRO A 101 -6.479 -0.300 -2.483 1.00 0.00 C ATOM 1542 O PRO A 101 -5.694 -1.030 -3.053 1.00 0.00 O ATOM 1543 CB PRO A 101 -5.276 1.628 -3.536 1.00 0.00 C ATOM 1544 CG PRO A 101 -4.375 2.126 -2.459 1.00 0.00 C ATOM 1545 CD PRO A 101 -5.258 2.734 -1.402 1.00 0.00 C ATOM 0 HA PRO A 101 -7.447 1.351 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.825 0.794 -4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.483 2.407 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.780 1.312 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.675 2.865 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.840 2.598 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.382 3.806 -1.553 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.276 -0.764 -1.557 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.226 -2.205 -1.191 1.00 0.00 C ATOM 1555 C LEU A 102 -7.855 -3.079 -2.277 1.00 0.00 C ATOM 1556 O LEU A 102 -8.912 -2.778 -2.786 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.029 -2.310 0.101 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.449 -1.802 -0.149 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.457 -2.862 0.288 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.674 -0.531 0.659 1.00 0.00 C ATOM 0 H LEU A 102 -7.957 -0.207 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.199 -2.552 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.055 -3.344 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.553 -1.725 0.888 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.580 -1.594 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.469 -2.498 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.294 -3.776 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.329 -3.070 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.685 -0.163 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.544 -0.746 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.954 0.228 0.352 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.208 -4.170 -2.612 1.00 0.00 N ATOM 1573 CA LEU A 103 -7.754 -5.103 -3.661 1.00 0.00 C ATOM 1574 C LEU A 103 -6.638 -6.005 -4.191 1.00 0.00 C ATOM 1575 O LEU A 103 -5.586 -6.113 -3.605 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.282 -4.224 -4.803 1.00 0.00 C ATOM 1577 CG LEU A 103 -7.240 -3.166 -5.171 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -6.294 -3.737 -6.229 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.939 -1.928 -5.738 1.00 0.00 C ATOM 0 H LEU A 103 -6.319 -4.460 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.539 -5.736 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.510 -4.841 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.212 -3.742 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.677 -2.888 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.550 -2.986 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.793 -4.620 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.864 -4.012 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.194 -1.177 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.503 -2.205 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.619 -1.520 -4.990 1.00 0.00 H new ATOM 1591 N THR A 104 -6.859 -6.649 -5.304 1.00 0.00 N ATOM 1592 CA THR A 104 -5.804 -7.531 -5.873 1.00 0.00 C ATOM 1593 C THR A 104 -4.692 -6.680 -6.494 1.00 0.00 C ATOM 1594 O THR A 104 -3.641 -6.499 -5.913 1.00 0.00 O ATOM 1595 CB THR A 104 -6.511 -8.364 -6.941 1.00 0.00 C ATOM 1596 OG1 THR A 104 -7.444 -9.237 -6.319 1.00 0.00 O ATOM 1597 CG2 THR A 104 -5.480 -9.186 -7.716 1.00 0.00 C ATOM 0 H THR A 104 -7.724 -6.602 -5.843 1.00 0.00 H new ATOM 0 HA THR A 104 -5.337 -8.162 -5.117 1.00 0.00 H new ATOM 0 HB THR A 104 -7.036 -7.701 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.117 -9.486 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.986 -9.780 -8.477 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.765 -8.516 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.953 -9.849 -7.030 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.917 -6.147 -7.663 1.00 0.00 N ATOM 1606 CA LYS A 105 -3.871 -5.300 -8.306 1.00 0.00 C ATOM 1607 C LYS A 105 -4.395 -3.866 -8.463 1.00 0.00 C ATOM 1608 O LYS A 105 -5.474 -3.655 -8.981 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.581 -5.962 -9.666 1.00 0.00 C ATOM 1610 CG LYS A 105 -4.482 -5.384 -10.767 1.00 0.00 C ATOM 1611 CD LYS A 105 -5.911 -5.896 -10.582 1.00 0.00 C ATOM 1612 CE LYS A 105 -6.466 -6.356 -11.932 1.00 0.00 C ATOM 1613 NZ LYS A 105 -7.835 -5.777 -12.003 1.00 0.00 N ATOM 0 H LYS A 105 -5.777 -6.260 -8.200 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.958 -5.232 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.535 -5.811 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.738 -7.038 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.467 -4.295 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.105 -5.673 -11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.924 -6.722 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.540 -5.109 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.845 -6.003 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.494 -7.444 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.281 -6.049 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.405 -6.136 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.777 -4.740 -11.945 1.00 0.00 H new ATOM 1627 N PRO A 106 -3.616 -2.929 -7.996 1.00 0.00 N ATOM 1628 CA PRO A 106 -4.014 -1.501 -8.071 1.00 0.00 C ATOM 1629 C PRO A 106 -3.843 -0.951 -9.493 1.00 0.00 C ATOM 1630 O PRO A 106 -2.754 -0.931 -10.032 1.00 0.00 O ATOM 1631 CB PRO A 106 -3.048 -0.814 -7.111 1.00 0.00 C ATOM 1632 CG PRO A 106 -1.845 -1.704 -7.056 1.00 0.00 C ATOM 1633 CD PRO A 106 -2.306 -3.108 -7.360 1.00 0.00 C ATOM 0 HA PRO A 106 -5.062 -1.343 -7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -2.784 0.183 -7.465 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.494 -0.694 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.096 -1.381 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.379 -1.658 -6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.609 -3.621 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.383 -3.707 -6.453 1.00 0.00 H new ATOM 1641 N PHE A 107 -4.908 -0.493 -10.101 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.798 0.066 -11.481 1.00 0.00 C ATOM 1643 C PHE A 107 -6.086 0.803 -11.868 1.00 0.00 C ATOM 1644 O PHE A 107 -6.048 1.869 -12.451 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.577 -1.141 -12.391 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.270 -0.973 -13.128 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.234 -0.259 -14.331 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.094 -1.525 -12.606 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.023 -0.097 -15.014 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.882 -1.362 -13.287 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.846 -0.648 -14.492 1.00 0.00 C ATOM 0 H PHE A 107 -5.847 -0.482 -9.702 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.986 0.788 -11.562 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.561 -2.058 -11.802 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.399 -1.232 -13.100 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.141 0.167 -14.733 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.122 -2.077 -11.678 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.996 0.453 -15.943 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.025 -1.787 -12.884 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.089 -0.523 -15.018 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.225 0.248 -11.554 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.504 0.929 -11.913 1.00 0.00 C ATOM 1663 C LEU A 108 -9.174 1.506 -10.656 1.00 0.00 C ATOM 1664 O LEU A 108 -8.860 2.600 -10.221 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.374 -0.161 -12.545 1.00 0.00 C ATOM 1666 CG LEU A 108 -9.307 -0.057 -14.072 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -9.749 1.341 -14.507 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -7.871 -0.304 -14.544 1.00 0.00 C ATOM 0 H LEU A 108 -7.326 -0.643 -11.067 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.348 1.765 -12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.032 -1.145 -12.223 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.406 -0.056 -12.209 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.967 -0.804 -14.513 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.702 1.416 -15.593 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.772 1.519 -14.175 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.089 2.086 -14.063 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.827 -0.229 -15.631 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.209 0.441 -14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.553 -1.300 -14.236 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.091 0.786 -10.065 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.769 1.308 -8.845 1.00 0.00 C ATOM 1682 C ASP A 109 -9.732 1.675 -7.787 1.00 0.00 C ATOM 1683 O ASP A 109 -9.966 2.511 -6.938 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.655 0.164 -8.359 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.025 0.268 -9.031 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.130 -0.126 -10.182 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.945 0.743 -8.386 1.00 0.00 O ATOM 0 H ASP A 109 -10.398 -0.137 -10.373 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.349 2.208 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.193 -0.795 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.764 0.208 -7.275 1.00 0.00 H new ATOM 1692 N SER A 110 -8.582 1.066 -7.836 1.00 0.00 N ATOM 1693 CA SER A 110 -7.535 1.397 -6.835 1.00 0.00 C ATOM 1694 C SER A 110 -7.244 2.896 -6.884 1.00 0.00 C ATOM 1695 O SER A 110 -7.585 3.625 -5.981 1.00 0.00 O ATOM 1696 CB SER A 110 -6.311 0.595 -7.262 1.00 0.00 C ATOM 1697 OG SER A 110 -5.828 -0.162 -6.157 1.00 0.00 O ATOM 0 H SER A 110 -8.323 0.357 -8.522 1.00 0.00 H new ATOM 0 HA SER A 110 -7.834 1.157 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.569 -0.070 -8.087 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.532 1.266 -7.625 1.00 0.00 H new ATOM 0 HG SER A 110 -6.343 0.065 -5.355 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.634 3.362 -7.943 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.337 4.821 -8.057 1.00 0.00 C ATOM 1705 C GLU A 111 -7.522 5.635 -7.529 1.00 0.00 C ATOM 1706 O GLU A 111 -7.365 6.575 -6.772 1.00 0.00 O ATOM 1707 CB GLU A 111 -6.143 5.066 -9.556 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.648 5.106 -9.881 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.268 3.866 -10.694 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.057 2.828 -10.090 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -4.195 3.975 -11.908 1.00 0.00 O ATOM 0 H GLU A 111 -6.329 2.795 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.461 5.117 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.629 4.277 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.613 6.006 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.412 6.009 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.066 5.142 -8.960 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.710 5.263 -7.911 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.913 6.009 -7.419 1.00 0.00 C ATOM 1720 C LEU A 112 -10.059 5.800 -5.915 1.00 0.00 C ATOM 1721 O LEU A 112 -10.091 6.738 -5.143 1.00 0.00 O ATOM 1722 CB LEU A 112 -11.141 5.426 -8.143 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.771 4.866 -9.521 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -12.047 4.597 -10.320 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.898 5.868 -10.285 1.00 0.00 C ATOM 0 H LEU A 112 -8.906 4.482 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.818 7.077 -7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.581 4.636 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.899 6.201 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.214 3.939 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.785 4.199 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.664 3.873 -9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.602 5.527 -10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.643 5.457 -11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.445 6.802 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.985 6.058 -9.722 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.149 4.571 -5.497 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.296 4.282 -4.045 1.00 0.00 C ATOM 1739 C GLU A 113 -9.059 4.723 -3.282 1.00 0.00 C ATOM 1740 O GLU A 113 -9.109 4.954 -2.098 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.434 2.761 -3.957 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.739 2.352 -4.625 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.042 0.888 -4.303 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.113 0.563 -3.129 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.197 0.116 -5.235 1.00 0.00 O ATOM 0 H GLU A 113 -10.127 3.750 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.147 4.809 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.590 2.276 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.425 2.440 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.553 2.988 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.666 2.490 -5.704 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.942 4.802 -3.934 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.703 5.170 -3.200 1.00 0.00 C ATOM 1754 C ALA A 114 -6.577 6.662 -2.935 1.00 0.00 C ATOM 1755 O ALA A 114 -5.788 7.071 -2.106 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.551 4.708 -4.087 1.00 0.00 C ATOM 0 H ALA A 114 -7.829 4.630 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.708 4.700 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.603 4.948 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.618 3.631 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.608 5.215 -5.050 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.293 7.497 -3.618 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.097 8.944 -3.336 1.00 0.00 C ATOM 1764 C VAL A 115 -8.319 9.565 -2.648 1.00 0.00 C ATOM 1765 O VAL A 115 -8.229 10.625 -2.059 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.827 9.598 -4.692 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.205 10.980 -4.475 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.846 8.735 -5.492 1.00 0.00 C ATOM 0 H VAL A 115 -7.981 7.260 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.269 9.099 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.766 9.693 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.012 11.448 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.892 11.602 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.268 10.875 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.655 9.202 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.910 8.643 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.275 7.745 -5.646 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.453 8.927 -2.702 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.656 9.507 -2.032 1.00 0.00 C ATOM 1780 C LEU A 116 -10.801 8.939 -0.617 1.00 0.00 C ATOM 1781 O LEU A 116 -11.091 9.650 0.325 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.839 9.085 -2.898 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.328 10.288 -3.698 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -12.756 11.401 -2.738 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.196 10.798 -4.593 1.00 0.00 C ATOM 0 H LEU A 116 -9.602 8.036 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.588 10.591 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.543 8.281 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.643 8.698 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.177 9.993 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.105 12.261 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.561 11.040 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.907 11.696 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.544 11.658 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.348 11.093 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.889 10.007 -5.277 1.00 0.00 H new