USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -2.73 K(o=-2.7,f=-0.34) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= -0.196 (180deg=-2.84!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 157:sc= -6.05! (180deg=-7.56!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 51 MET CE :methyl 177:sc= -3.95 (180deg=-4.15) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.0823 (180deg=-0.475) USER MOD Single : A 69 THR OG1 : rot -8:sc= 0.21 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-2.8!) USER MOD Single : A 82 ASN : amide:sc= -5.49! K(o=-5.5!,f=-1.9) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -1 (180deg=-1.42) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0.199 (180deg=0.199) USER MOD Single : A 89 LYS NZ :NH3+ 148:sc= -0.192 (180deg=-1.67!) USER MOD Single : A 93 ASN : amide:sc= -2.61 K(o=-2.6,f=-5.9!) USER MOD Single : A 95 LYS NZ :NH3+ -156:sc= 0.161 (180deg=0.0587) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -8.896 -0.776 -12.301 1.00 0.00 N ATOM 143 CA GLU A 10 -8.229 -2.066 -12.202 1.00 0.00 C ATOM 144 C GLU A 10 -9.220 -3.228 -12.181 1.00 0.00 C ATOM 145 O GLU A 10 -10.255 -3.171 -11.517 1.00 0.00 O ATOM 146 CB GLU A 10 -7.328 -2.096 -10.967 1.00 0.00 C ATOM 147 CG GLU A 10 -8.082 -2.027 -9.649 1.00 0.00 C ATOM 148 CD GLU A 10 -7.213 -1.533 -8.508 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.056 -1.993 -8.401 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.688 -0.688 -7.721 1.00 0.00 O ATOM 0 HA GLU A 10 -7.616 -2.191 -13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.733 -3.009 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.630 -1.260 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.941 -1.365 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.470 -3.016 -9.404 1.00 0.00 H new ATOM 157 N LYS A 11 -8.886 -4.279 -12.929 1.00 0.00 N ATOM 158 CA LYS A 11 -9.726 -5.470 -13.027 1.00 0.00 C ATOM 159 C LYS A 11 -9.803 -6.196 -11.681 1.00 0.00 C ATOM 160 O LYS A 11 -9.564 -5.595 -10.634 1.00 0.00 O ATOM 161 CB LYS A 11 -9.179 -6.403 -14.117 1.00 0.00 C ATOM 162 CG LYS A 11 -7.730 -6.813 -13.902 1.00 0.00 C ATOM 163 CD LYS A 11 -7.308 -7.913 -14.869 1.00 0.00 C ATOM 164 CE LYS A 11 -6.736 -9.120 -14.138 1.00 0.00 C ATOM 165 NZ LYS A 11 -5.394 -9.509 -14.659 1.00 0.00 N ATOM 0 H LYS A 11 -8.030 -4.328 -13.481 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.737 -5.164 -13.298 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.798 -7.299 -14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.267 -5.908 -15.084 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.083 -5.946 -14.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.597 -7.159 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.167 -8.222 -15.465 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.564 -7.522 -15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.660 -8.896 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.421 -9.962 -14.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.355 -10.541 -14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.229 -9.044 -15.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.660 -9.214 -13.983 1.00 0.00 H new ATOM 179 N ASP A 12 -10.149 -7.483 -11.709 1.00 0.00 N ATOM 180 CA ASP A 12 -10.262 -8.270 -10.486 1.00 0.00 C ATOM 181 C ASP A 12 -9.463 -9.569 -10.579 1.00 0.00 C ATOM 182 O ASP A 12 -9.776 -10.547 -9.902 1.00 0.00 O ATOM 183 CB ASP A 12 -11.733 -8.586 -10.200 1.00 0.00 C ATOM 184 CG ASP A 12 -12.075 -8.482 -8.726 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.413 -9.161 -7.914 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.004 -7.721 -8.385 1.00 0.00 O ATOM 0 H ASP A 12 -10.355 -8.000 -12.564 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.849 -7.678 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.365 -7.901 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.960 -9.592 -10.552 1.00 0.00 H new ATOM 191 N GLY A 13 -8.436 -9.576 -11.422 1.00 0.00 N ATOM 192 CA GLY A 13 -7.620 -10.767 -11.586 1.00 0.00 C ATOM 193 C GLY A 13 -6.218 -10.604 -11.027 1.00 0.00 C ATOM 194 O GLY A 13 -5.999 -9.824 -10.104 1.00 0.00 O ATOM 0 H GLY A 13 -8.154 -8.780 -11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.108 -11.607 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.557 -11.015 -12.646 1.00 0.00 H new ATOM 198 N ALA A 14 -5.274 -11.361 -11.579 1.00 0.00 N ATOM 199 CA ALA A 14 -3.883 -11.319 -11.128 1.00 0.00 C ATOM 200 C ALA A 14 -3.204 -9.999 -11.490 1.00 0.00 C ATOM 201 O ALA A 14 -3.836 -9.085 -12.021 1.00 0.00 O ATOM 202 CB ALA A 14 -3.112 -12.484 -11.728 1.00 0.00 C ATOM 0 H ALA A 14 -5.447 -12.014 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.884 -11.399 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.077 -12.448 -11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.566 -13.423 -11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.140 -12.417 -12.816 1.00 0.00 H new ATOM 208 N VAL A 15 -1.896 -9.935 -11.244 1.00 0.00 N ATOM 209 CA VAL A 15 -1.105 -8.761 -11.590 1.00 0.00 C ATOM 210 C VAL A 15 -1.041 -8.600 -13.103 1.00 0.00 C ATOM 211 O VAL A 15 -1.167 -9.577 -13.839 1.00 0.00 O ATOM 212 CB VAL A 15 0.328 -8.861 -11.035 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.045 -10.072 -11.613 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.115 -7.587 -11.307 1.00 0.00 C ATOM 0 H VAL A 15 -1.363 -10.686 -10.805 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.592 -7.895 -11.142 1.00 0.00 H new ATOM 0 HB VAL A 15 0.260 -8.986 -9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.056 -10.124 -11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.501 -10.978 -11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.093 -9.983 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.122 -7.688 -10.903 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.170 -7.416 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.617 -6.743 -10.831 1.00 0.00 H new ATOM 224 N GLU A 16 -0.818 -7.381 -13.570 1.00 0.00 N ATOM 225 CA GLU A 16 -0.705 -7.123 -14.995 1.00 0.00 C ATOM 226 C GLU A 16 0.482 -6.201 -15.261 1.00 0.00 C ATOM 227 O GLU A 16 0.958 -5.519 -14.352 1.00 0.00 O ATOM 228 CB GLU A 16 -1.988 -6.489 -15.531 1.00 0.00 C ATOM 229 CG GLU A 16 -3.085 -7.492 -15.848 1.00 0.00 C ATOM 230 CD GLU A 16 -3.977 -7.035 -16.985 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.633 -7.303 -18.155 1.00 0.00 O ATOM 232 OE2 GLU A 16 -5.022 -6.408 -16.706 1.00 0.00 O ATOM 0 H GLU A 16 -0.712 -6.555 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.548 -8.071 -15.509 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.363 -5.775 -14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.753 -5.925 -16.434 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.634 -8.450 -16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.692 -7.656 -14.957 1.00 0.00 H new ATOM 239 N ALA A 17 0.974 -6.223 -16.498 1.00 0.00 N ATOM 240 CA ALA A 17 2.143 -5.423 -16.901 1.00 0.00 C ATOM 241 C ALA A 17 2.377 -4.237 -15.957 1.00 0.00 C ATOM 242 O ALA A 17 3.309 -4.257 -15.153 1.00 0.00 O ATOM 243 CB ALA A 17 1.978 -4.933 -18.333 1.00 0.00 C ATOM 0 H ALA A 17 0.581 -6.790 -17.249 1.00 0.00 H new ATOM 0 HA ALA A 17 3.019 -6.068 -16.841 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.849 -4.343 -18.618 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.884 -5.789 -19.002 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.082 -4.316 -18.406 1.00 0.00 H new ATOM 249 N GLU A 18 1.541 -3.208 -16.055 1.00 0.00 N ATOM 250 CA GLU A 18 1.689 -2.030 -15.200 1.00 0.00 C ATOM 251 C GLU A 18 0.459 -1.855 -14.316 1.00 0.00 C ATOM 252 O GLU A 18 -0.327 -0.924 -14.494 1.00 0.00 O ATOM 253 CB GLU A 18 1.907 -0.779 -16.050 1.00 0.00 C ATOM 254 CG GLU A 18 3.130 -0.865 -16.947 1.00 0.00 C ATOM 255 CD GLU A 18 3.651 0.496 -17.365 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.981 1.164 -18.180 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.730 0.894 -16.877 1.00 0.00 O ATOM 0 H GLU A 18 0.761 -3.163 -16.710 1.00 0.00 H new ATOM 0 HA GLU A 18 2.560 -2.176 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.024 -0.609 -16.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.007 0.085 -15.393 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.919 -1.406 -16.426 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.882 -1.443 -17.837 1.00 0.00 H new ATOM 264 N ASP A 19 0.289 -2.786 -13.375 1.00 0.00 N ATOM 265 CA ASP A 19 -0.858 -2.769 -12.470 1.00 0.00 C ATOM 266 C ASP A 19 -0.509 -2.201 -11.092 1.00 0.00 C ATOM 267 O ASP A 19 0.582 -1.673 -10.886 1.00 0.00 O ATOM 268 CB ASP A 19 -1.429 -4.189 -12.364 1.00 0.00 C ATOM 269 CG ASP A 19 -1.002 -4.950 -11.121 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.146 -4.774 -10.678 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.823 -5.732 -10.596 1.00 0.00 O ATOM 0 H ASP A 19 0.933 -3.562 -13.221 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.614 -2.101 -12.883 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.517 -4.131 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.124 -4.756 -13.244 1.00 0.00 H new ATOM 276 N ARG A 20 -1.449 -2.324 -10.149 1.00 0.00 N ATOM 277 CA ARG A 20 -1.244 -1.836 -8.788 1.00 0.00 C ATOM 278 C ARG A 20 -1.824 -2.815 -7.768 1.00 0.00 C ATOM 279 O ARG A 20 -3.032 -3.054 -7.739 1.00 0.00 O ATOM 280 CB ARG A 20 -1.878 -0.460 -8.604 1.00 0.00 C ATOM 281 CG ARG A 20 -0.968 0.537 -7.908 1.00 0.00 C ATOM 282 CD ARG A 20 -0.778 1.804 -8.722 1.00 0.00 C ATOM 283 NE ARG A 20 -0.236 2.887 -7.903 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.666 4.147 -7.944 1.00 0.00 C ATOM 285 NH1 ARG A 20 -1.632 4.509 -8.779 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.120 5.051 -7.145 1.00 0.00 N ATOM 0 H ARG A 20 -2.358 -2.758 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.170 -1.752 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.158 -0.064 -9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.797 -0.566 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.388 0.792 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.002 0.075 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.105 1.605 -9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.733 2.111 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 20 0.521 2.663 -7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.055 3.819 -9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.952 5.477 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.625 4.781 -6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.445 6.018 -7.171 1.00 0.00 H new ATOM 300 N VAL A 21 -0.956 -3.363 -6.928 1.00 0.00 N ATOM 301 CA VAL A 21 -1.362 -4.307 -5.888 1.00 0.00 C ATOM 302 C VAL A 21 -1.630 -3.607 -4.554 1.00 0.00 C ATOM 303 O VAL A 21 -1.212 -2.469 -4.345 1.00 0.00 O ATOM 304 CB VAL A 21 -0.275 -5.373 -5.660 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.134 -6.281 -6.874 1.00 0.00 C ATOM 306 CG2 VAL A 21 1.051 -4.706 -5.330 1.00 0.00 C ATOM 0 H VAL A 21 0.045 -3.169 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.282 -4.774 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.575 -5.993 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.641 -7.024 -6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.082 -6.785 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.140 -5.685 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.813 -5.469 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.350 -4.062 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.942 -4.108 -4.425 1.00 0.00 H new ATOM 316 N THR A 22 -2.288 -4.317 -3.635 1.00 0.00 N ATOM 317 CA THR A 22 -2.559 -3.785 -2.305 1.00 0.00 C ATOM 318 C THR A 22 -1.911 -4.691 -1.268 1.00 0.00 C ATOM 319 O THR A 22 -2.302 -5.846 -1.115 1.00 0.00 O ATOM 320 CB THR A 22 -4.061 -3.682 -2.040 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.690 -2.818 -2.974 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.376 -3.169 -0.649 1.00 0.00 C ATOM 0 H THR A 22 -2.641 -5.261 -3.791 1.00 0.00 H new ATOM 0 HA THR A 22 -2.142 -2.780 -2.240 1.00 0.00 H new ATOM 0 HB THR A 22 -4.444 -4.698 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.650 -2.772 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.457 -3.116 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.952 -3.846 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.946 -2.176 -0.522 1.00 0.00 H new ATOM 330 N ILE A 23 -0.900 -4.178 -0.577 1.00 0.00 N ATOM 331 CA ILE A 23 -0.190 -4.974 0.414 1.00 0.00 C ATOM 332 C ILE A 23 -0.027 -4.248 1.751 1.00 0.00 C ATOM 333 O ILE A 23 -0.002 -3.020 1.811 1.00 0.00 O ATOM 334 CB ILE A 23 1.215 -5.370 -0.090 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.089 -4.129 -0.323 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.126 -6.224 -1.349 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.851 -3.431 -1.646 1.00 0.00 C ATOM 0 H ILE A 23 -0.557 -3.223 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.804 -5.862 0.569 1.00 0.00 H new ATOM 0 HB ILE A 23 1.690 -5.970 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.912 -3.419 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.137 -4.423 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.130 -6.488 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.564 -7.133 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.620 -5.663 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.510 -2.567 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.058 -4.121 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.813 -3.102 -1.702 1.00 0.00 H new ATOM 349 N ASP A 24 0.136 -5.039 2.807 1.00 0.00 N ATOM 350 CA ASP A 24 0.362 -4.527 4.156 1.00 0.00 C ATOM 351 C ASP A 24 1.690 -5.093 4.652 1.00 0.00 C ATOM 352 O ASP A 24 1.902 -6.305 4.585 1.00 0.00 O ATOM 353 CB ASP A 24 -0.765 -4.952 5.105 1.00 0.00 C ATOM 354 CG ASP A 24 -0.964 -6.454 5.137 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.514 -7.002 4.159 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.571 -7.082 6.141 1.00 0.00 O ATOM 0 H ASP A 24 0.115 -6.057 2.752 1.00 0.00 H new ATOM 0 HA ASP A 24 0.383 -3.437 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.541 -4.597 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.694 -4.472 4.797 1.00 0.00 H new ATOM 361 N PHE A 25 2.603 -4.243 5.118 1.00 0.00 N ATOM 362 CA PHE A 25 3.900 -4.745 5.566 1.00 0.00 C ATOM 363 C PHE A 25 4.433 -4.031 6.798 1.00 0.00 C ATOM 364 O PHE A 25 3.926 -2.990 7.206 1.00 0.00 O ATOM 365 CB PHE A 25 4.918 -4.641 4.433 1.00 0.00 C ATOM 366 CG PHE A 25 5.288 -3.234 4.057 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.079 -2.458 4.891 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.837 -2.688 2.866 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.410 -1.160 4.541 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.165 -1.394 2.519 1.00 0.00 C ATOM 371 CZ PHE A 25 5.948 -0.630 3.353 1.00 0.00 C ATOM 0 H PHE A 25 2.476 -3.234 5.194 1.00 0.00 H new ATOM 0 HA PHE A 25 3.747 -5.787 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.822 -5.176 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.517 -5.146 3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.440 -2.870 5.822 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.223 -3.281 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.028 -0.564 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.806 -0.979 1.589 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.201 0.383 3.079 1.00 0.00 H new ATOM 381 N THR A 26 5.463 -4.630 7.387 1.00 0.00 N ATOM 382 CA THR A 26 6.093 -4.092 8.586 1.00 0.00 C ATOM 383 C THR A 26 7.584 -4.419 8.610 1.00 0.00 C ATOM 384 O THR A 26 7.965 -5.586 8.713 1.00 0.00 O ATOM 385 CB THR A 26 5.427 -4.679 9.828 1.00 0.00 C ATOM 386 OG1 THR A 26 4.034 -4.428 9.819 1.00 0.00 O ATOM 387 CG2 THR A 26 5.987 -4.131 11.122 1.00 0.00 C ATOM 0 H THR A 26 5.882 -5.496 7.049 1.00 0.00 H new ATOM 0 HA THR A 26 5.972 -3.009 8.579 1.00 0.00 H new ATOM 0 HB THR A 26 5.633 -5.749 9.787 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.627 -4.814 10.623 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.470 -4.589 11.965 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.052 -4.357 11.182 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.843 -3.051 11.152 1.00 0.00 H new ATOM 395 N GLY A 27 8.429 -3.393 8.514 1.00 0.00 N ATOM 396 CA GLY A 27 9.861 -3.632 8.529 1.00 0.00 C ATOM 397 C GLY A 27 10.677 -2.430 8.957 1.00 0.00 C ATOM 398 O GLY A 27 10.152 -1.332 9.134 1.00 0.00 O ATOM 0 H GLY A 27 8.152 -2.415 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.074 -4.462 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.179 -3.939 7.533 1.00 0.00 H new ATOM 402 N SER A 28 11.974 -2.659 9.131 1.00 0.00 N ATOM 403 CA SER A 28 12.903 -1.614 9.544 1.00 0.00 C ATOM 404 C SER A 28 13.853 -1.236 8.415 1.00 0.00 C ATOM 405 O SER A 28 13.818 -1.823 7.336 1.00 0.00 O ATOM 406 CB SER A 28 13.722 -2.088 10.751 1.00 0.00 C ATOM 407 OG SER A 28 13.419 -3.431 11.082 1.00 0.00 O ATOM 0 H SER A 28 12.409 -3.571 8.990 1.00 0.00 H new ATOM 0 HA SER A 28 12.315 -0.736 9.812 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.785 -1.997 10.530 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.518 -1.445 11.607 1.00 0.00 H new ATOM 0 HG SER A 28 13.957 -3.707 11.853 1.00 0.00 H new ATOM 413 N VAL A 29 14.715 -0.262 8.691 1.00 0.00 N ATOM 414 CA VAL A 29 15.701 0.195 7.726 1.00 0.00 C ATOM 415 C VAL A 29 17.120 -0.115 8.210 1.00 0.00 C ATOM 416 O VAL A 29 17.716 -1.105 7.789 1.00 0.00 O ATOM 417 CB VAL A 29 15.535 1.705 7.401 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.263 2.525 8.657 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.746 2.246 6.646 1.00 0.00 C ATOM 0 H VAL A 29 14.747 0.228 9.585 1.00 0.00 H new ATOM 0 HA VAL A 29 15.531 -0.352 6.799 1.00 0.00 H new ATOM 0 HB VAL A 29 14.665 1.801 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.153 3.576 8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.346 2.173 9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.095 2.413 9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.599 3.305 6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.641 2.119 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.864 1.701 5.709 1.00 0.00 H new ATOM 429 N ASP A 30 17.655 0.714 9.101 1.00 0.00 N ATOM 430 CA ASP A 30 18.991 0.492 9.631 1.00 0.00 C ATOM 431 C ASP A 30 18.910 -0.262 10.954 1.00 0.00 C ATOM 432 O ASP A 30 19.627 0.047 11.906 1.00 0.00 O ATOM 433 CB ASP A 30 19.720 1.827 9.819 1.00 0.00 C ATOM 434 CG ASP A 30 20.946 1.944 8.937 1.00 0.00 C ATOM 435 OD1 ASP A 30 20.783 2.047 7.703 1.00 0.00 O ATOM 436 OD2 ASP A 30 22.071 1.932 9.479 1.00 0.00 O ATOM 0 H ASP A 30 17.185 1.541 9.468 1.00 0.00 H new ATOM 0 HA ASP A 30 19.555 -0.110 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.036 2.646 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.015 1.933 10.863 1.00 0.00 H new ATOM 441 N GLY A 31 18.015 -1.244 11.008 1.00 0.00 N ATOM 442 CA GLY A 31 17.836 -2.019 12.218 1.00 0.00 C ATOM 443 C GLY A 31 16.683 -1.507 13.062 1.00 0.00 C ATOM 444 O GLY A 31 16.268 -2.162 14.018 1.00 0.00 O ATOM 0 H GLY A 31 17.411 -1.516 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.657 -3.062 11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.754 -1.991 12.805 1.00 0.00 H new ATOM 448 N GLU A 32 16.162 -0.334 12.705 1.00 0.00 N ATOM 449 CA GLU A 32 15.047 0.262 13.432 1.00 0.00 C ATOM 450 C GLU A 32 13.994 0.795 12.466 1.00 0.00 C ATOM 451 O GLU A 32 14.278 1.649 11.626 1.00 0.00 O ATOM 452 CB GLU A 32 15.543 1.388 14.340 1.00 0.00 C ATOM 453 CG GLU A 32 16.572 0.935 15.363 1.00 0.00 C ATOM 454 CD GLU A 32 15.951 0.616 16.710 1.00 0.00 C ATOM 455 OE1 GLU A 32 15.093 -0.289 16.769 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.325 1.272 17.705 1.00 0.00 O ATOM 0 H GLU A 32 16.495 0.221 11.917 1.00 0.00 H new ATOM 0 HA GLU A 32 14.591 -0.513 14.048 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.977 2.176 13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.691 1.824 14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.089 0.052 14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.323 1.715 15.488 1.00 0.00 H new ATOM 463 N GLU A 33 12.778 0.274 12.588 1.00 0.00 N ATOM 464 CA GLU A 33 11.676 0.672 11.735 1.00 0.00 C ATOM 465 C GLU A 33 11.420 2.160 11.837 1.00 0.00 C ATOM 466 O GLU A 33 11.153 2.691 12.914 1.00 0.00 O ATOM 467 CB GLU A 33 10.417 -0.109 12.104 1.00 0.00 C ATOM 468 CG GLU A 33 9.958 0.123 13.533 1.00 0.00 C ATOM 469 CD GLU A 33 8.702 0.970 13.609 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.817 0.795 12.746 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.608 1.809 14.528 1.00 0.00 O ATOM 0 H GLU A 33 12.534 -0.434 13.281 1.00 0.00 H new ATOM 0 HA GLU A 33 11.944 0.445 10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.613 0.170 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.603 -1.173 11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.774 -0.838 14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.756 0.611 14.093 1.00 0.00 H new ATOM 478 N PHE A 34 11.536 2.828 10.705 1.00 0.00 N ATOM 479 CA PHE A 34 11.356 4.273 10.614 1.00 0.00 C ATOM 480 C PHE A 34 9.881 4.663 10.487 1.00 0.00 C ATOM 481 O PHE A 34 9.021 4.121 11.182 1.00 0.00 O ATOM 482 CB PHE A 34 12.192 4.803 9.425 1.00 0.00 C ATOM 483 CG PHE A 34 11.763 4.304 8.057 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.926 2.973 7.694 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.199 5.175 7.133 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.533 2.525 6.446 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.807 4.729 5.885 1.00 0.00 C ATOM 488 CZ PHE A 34 10.971 3.403 5.543 1.00 0.00 C ATOM 0 H PHE A 34 11.759 2.384 9.814 1.00 0.00 H new ATOM 0 HA PHE A 34 11.707 4.733 11.538 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.146 5.892 9.427 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.235 4.527 9.584 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.365 2.279 8.395 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.065 6.215 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.666 1.487 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.372 5.419 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.660 3.053 4.570 1.00 0.00 H new ATOM 498 N GLU A 35 9.603 5.584 9.585 1.00 0.00 N ATOM 499 CA GLU A 35 8.246 6.052 9.321 1.00 0.00 C ATOM 500 C GLU A 35 7.417 4.975 8.625 1.00 0.00 C ATOM 501 O GLU A 35 6.373 4.557 9.124 1.00 0.00 O ATOM 502 CB GLU A 35 8.292 7.305 8.441 1.00 0.00 C ATOM 503 CG GLU A 35 8.502 8.594 9.215 1.00 0.00 C ATOM 504 CD GLU A 35 7.658 9.733 8.678 1.00 0.00 C ATOM 505 OE1 GLU A 35 8.104 10.406 7.724 1.00 0.00 O ATOM 506 OE2 GLU A 35 6.549 9.952 9.209 1.00 0.00 O ATOM 0 H GLU A 35 10.313 6.035 9.008 1.00 0.00 H new ATOM 0 HA GLU A 35 7.777 6.286 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.095 7.196 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.360 7.377 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.259 8.428 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.555 8.873 9.172 1.00 0.00 H new ATOM 513 N GLY A 36 7.893 4.540 7.458 1.00 0.00 N ATOM 514 CA GLY A 36 7.194 3.524 6.687 1.00 0.00 C ATOM 515 C GLY A 36 7.434 2.117 7.194 1.00 0.00 C ATOM 516 O GLY A 36 7.121 1.147 6.506 1.00 0.00 O ATOM 0 H GLY A 36 8.756 4.876 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.124 3.733 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.510 3.586 5.646 1.00 0.00 H new ATOM 520 N GLY A 37 7.982 1.996 8.398 1.00 0.00 N ATOM 521 CA GLY A 37 8.238 0.688 8.957 1.00 0.00 C ATOM 522 C GLY A 37 6.974 -0.137 9.129 1.00 0.00 C ATOM 523 O GLY A 37 7.045 -1.316 9.470 1.00 0.00 O ATOM 0 H GLY A 37 8.252 2.779 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.932 0.151 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.727 0.801 9.925 1.00 0.00 H new ATOM 527 N LYS A 38 5.816 0.477 8.891 1.00 0.00 N ATOM 528 CA LYS A 38 4.546 -0.224 9.022 1.00 0.00 C ATOM 529 C LYS A 38 3.527 0.284 8.004 1.00 0.00 C ATOM 530 O LYS A 38 3.191 1.468 7.981 1.00 0.00 O ATOM 531 CB LYS A 38 3.996 -0.068 10.441 1.00 0.00 C ATOM 532 CG LYS A 38 3.892 -1.381 11.197 1.00 0.00 C ATOM 533 CD LYS A 38 4.024 -1.172 12.695 1.00 0.00 C ATOM 534 CE LYS A 38 5.384 -0.594 13.053 1.00 0.00 C ATOM 535 NZ LYS A 38 5.805 -0.975 14.427 1.00 0.00 N ATOM 0 H LYS A 38 5.734 1.454 8.608 1.00 0.00 H new ATOM 0 HA LYS A 38 4.725 -1.281 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.639 0.613 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.009 0.393 10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.935 -1.854 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.670 -2.063 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.238 -0.501 13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.883 -2.122 13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.127 -0.943 12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.349 0.492 12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.737 -0.561 14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.110 -0.620 15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.863 -2.011 14.497 1.00 0.00 H new ATOM 549 N ALA A 39 3.033 -0.628 7.172 1.00 0.00 N ATOM 550 CA ALA A 39 2.045 -0.291 6.157 1.00 0.00 C ATOM 551 C ALA A 39 0.917 -1.314 6.148 1.00 0.00 C ATOM 552 O ALA A 39 1.145 -2.506 6.354 1.00 0.00 O ATOM 553 CB ALA A 39 2.693 -0.208 4.781 1.00 0.00 C ATOM 0 H ALA A 39 3.304 -1.611 7.183 1.00 0.00 H new ATOM 0 HA ALA A 39 1.627 0.686 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.937 0.045 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.466 0.561 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.140 -1.170 4.531 1.00 0.00 H new ATOM 559 N SER A 40 -0.300 -0.844 5.910 1.00 0.00 N ATOM 560 CA SER A 40 -1.461 -1.724 5.874 1.00 0.00 C ATOM 561 C SER A 40 -2.057 -1.765 4.477 1.00 0.00 C ATOM 562 O SER A 40 -2.080 -2.808 3.826 1.00 0.00 O ATOM 563 CB SER A 40 -2.517 -1.258 6.880 1.00 0.00 C ATOM 564 OG SER A 40 -3.052 -2.354 7.603 1.00 0.00 O ATOM 0 H SER A 40 -0.509 0.140 5.739 1.00 0.00 H new ATOM 0 HA SER A 40 -1.136 -2.728 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.073 -0.543 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.319 -0.738 6.356 1.00 0.00 H new ATOM 0 HG SER A 40 -3.723 -2.030 8.240 1.00 0.00 H new ATOM 570 N ASP A 41 -2.483 -0.613 3.991 1.00 0.00 N ATOM 571 CA ASP A 41 -3.016 -0.484 2.654 1.00 0.00 C ATOM 572 C ASP A 41 -1.958 0.149 1.768 1.00 0.00 C ATOM 573 O ASP A 41 -2.090 1.304 1.366 1.00 0.00 O ATOM 574 CB ASP A 41 -4.289 0.365 2.652 1.00 0.00 C ATOM 575 CG ASP A 41 -5.386 -0.238 3.507 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.062 -0.830 4.558 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.569 -0.117 3.126 1.00 0.00 O ATOM 0 H ASP A 41 -2.467 0.260 4.517 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.277 -1.471 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.056 1.365 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.648 0.474 1.629 1.00 0.00 H new ATOM 582 N PHE A 42 -0.915 -0.595 1.457 1.00 0.00 N ATOM 583 CA PHE A 42 0.145 -0.067 0.606 1.00 0.00 C ATOM 584 C PHE A 42 -0.160 -0.366 -0.854 1.00 0.00 C ATOM 585 O PHE A 42 -0.116 -1.518 -1.281 1.00 0.00 O ATOM 586 CB PHE A 42 1.513 -0.649 0.991 1.00 0.00 C ATOM 587 CG PHE A 42 2.660 -0.034 0.233 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.708 1.336 0.028 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.686 -0.819 -0.282 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.749 1.914 -0.670 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.731 -0.242 -0.982 1.00 0.00 C ATOM 592 CZ PHE A 42 4.762 1.125 -1.176 1.00 0.00 C ATOM 0 H PHE A 42 -0.775 -1.555 1.773 1.00 0.00 H new ATOM 0 HA PHE A 42 0.187 1.013 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.674 -0.504 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.505 -1.724 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.919 1.961 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.667 -1.889 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.771 2.983 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.523 -0.861 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.577 1.576 -1.723 1.00 0.00 H new ATOM 602 N VAL A 43 -0.481 0.673 -1.616 1.00 0.00 N ATOM 603 CA VAL A 43 -0.800 0.511 -3.023 1.00 0.00 C ATOM 604 C VAL A 43 0.462 0.516 -3.882 1.00 0.00 C ATOM 605 O VAL A 43 1.006 1.571 -4.208 1.00 0.00 O ATOM 606 CB VAL A 43 -1.762 1.615 -3.501 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.061 2.965 -3.574 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.374 1.247 -4.844 1.00 0.00 C ATOM 0 H VAL A 43 -0.526 1.635 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.291 -0.456 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.566 1.700 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.766 3.723 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.687 3.235 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.227 2.905 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.051 2.039 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.582 1.124 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.928 0.313 -4.748 1.00 0.00 H new ATOM 618 N LEU A 44 0.927 -0.670 -4.234 1.00 0.00 N ATOM 619 CA LEU A 44 2.126 -0.802 -5.045 1.00 0.00 C ATOM 620 C LEU A 44 1.783 -0.838 -6.524 1.00 0.00 C ATOM 621 O LEU A 44 0.871 -1.548 -6.937 1.00 0.00 O ATOM 622 CB LEU A 44 2.889 -2.063 -4.658 1.00 0.00 C ATOM 623 CG LEU A 44 4.335 -1.831 -4.239 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.034 -3.157 -4.029 1.00 0.00 C ATOM 625 CD2 LEU A 44 5.074 -1.005 -5.281 1.00 0.00 C ATOM 0 H LEU A 44 0.493 -1.555 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 44 2.756 0.068 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.362 -2.553 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.876 -2.752 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 44 4.337 -1.276 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.067 -2.980 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.521 -3.719 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.018 -3.728 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.104 -0.852 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.065 -1.531 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.582 -0.039 -5.395 1.00 0.00 H new ATOM 637 N ALA A 45 2.534 -0.079 -7.314 1.00 0.00 N ATOM 638 CA ALA A 45 2.323 -0.027 -8.757 1.00 0.00 C ATOM 639 C ALA A 45 3.325 -0.915 -9.484 1.00 0.00 C ATOM 640 O ALA A 45 4.499 -0.567 -9.615 1.00 0.00 O ATOM 641 CB ALA A 45 2.427 1.406 -9.256 1.00 0.00 C ATOM 0 H ALA A 45 3.296 0.510 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 45 1.321 -0.400 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.267 1.428 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.671 2.018 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.417 1.800 -9.028 1.00 0.00 H new ATOM 647 N MET A 46 2.854 -2.064 -9.952 1.00 0.00 N ATOM 648 CA MET A 46 3.704 -3.009 -10.665 1.00 0.00 C ATOM 649 C MET A 46 4.119 -2.458 -12.023 1.00 0.00 C ATOM 650 O MET A 46 3.492 -2.754 -13.040 1.00 0.00 O ATOM 651 CB MET A 46 2.976 -4.339 -10.842 1.00 0.00 C ATOM 652 CG MET A 46 3.523 -5.450 -9.964 1.00 0.00 C ATOM 653 SD MET A 46 5.110 -6.071 -10.545 1.00 0.00 S ATOM 654 CE MET A 46 5.952 -6.330 -8.989 1.00 0.00 C ATOM 0 H MET A 46 1.885 -2.365 -9.850 1.00 0.00 H new ATOM 0 HA MET A 46 4.605 -3.168 -10.072 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.918 -4.198 -10.619 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.044 -4.645 -11.886 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.632 -5.082 -8.944 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.805 -6.270 -9.932 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.746 -7.064 -9.123 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.382 -5.389 -8.647 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.242 -6.695 -8.247 1.00 0.00 H new ATOM 664 N GLY A 47 5.185 -1.664 -12.019 1.00 0.00 N ATOM 665 CA GLY A 47 5.690 -1.078 -13.248 1.00 0.00 C ATOM 666 C GLY A 47 5.181 0.329 -13.488 1.00 0.00 C ATOM 667 O GLY A 47 4.419 0.570 -14.424 1.00 0.00 O ATOM 0 H GLY A 47 5.711 -1.415 -11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.779 -1.063 -13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.404 -1.710 -14.089 1.00 0.00 H new ATOM 671 N GLN A 48 5.614 1.264 -12.648 1.00 0.00 N ATOM 672 CA GLN A 48 5.209 2.658 -12.779 1.00 0.00 C ATOM 673 C GLN A 48 6.435 3.562 -12.812 1.00 0.00 C ATOM 674 O GLN A 48 6.714 4.210 -13.821 1.00 0.00 O ATOM 675 CB GLN A 48 4.289 3.064 -11.627 1.00 0.00 C ATOM 676 CG GLN A 48 3.721 4.465 -11.774 1.00 0.00 C ATOM 677 CD GLN A 48 3.649 5.209 -10.456 1.00 0.00 C ATOM 678 OE1 GLN A 48 2.715 5.025 -9.675 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.638 6.057 -10.200 1.00 0.00 N ATOM 0 H GLN A 48 6.246 1.081 -11.869 1.00 0.00 H new ATOM 0 HA GLN A 48 4.661 2.769 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.467 2.352 -11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.842 3.001 -10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.337 5.031 -12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.723 4.404 -12.207 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.393 6.179 -10.875 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.643 6.586 -9.328 1.00 0.00 H new ATOM 688 N GLY A 49 7.171 3.591 -11.708 1.00 0.00 N ATOM 689 CA GLY A 49 8.366 4.407 -11.636 1.00 0.00 C ATOM 690 C GLY A 49 9.620 3.586 -11.853 1.00 0.00 C ATOM 691 O GLY A 49 10.401 3.858 -12.766 1.00 0.00 O ATOM 0 H GLY A 49 6.961 3.063 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.313 5.196 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.415 4.895 -10.663 1.00 0.00 H new ATOM 695 N ARG A 50 9.803 2.570 -11.018 1.00 0.00 N ATOM 696 CA ARG A 50 10.958 1.687 -11.115 1.00 0.00 C ATOM 697 C ARG A 50 10.916 0.630 -10.020 1.00 0.00 C ATOM 698 O ARG A 50 11.723 0.649 -9.089 1.00 0.00 O ATOM 699 CB ARG A 50 12.262 2.485 -11.025 1.00 0.00 C ATOM 700 CG ARG A 50 12.451 3.202 -9.696 1.00 0.00 C ATOM 701 CD ARG A 50 13.733 2.769 -9.000 1.00 0.00 C ATOM 702 NE ARG A 50 14.851 2.636 -9.935 1.00 0.00 N ATOM 703 CZ ARG A 50 15.439 1.479 -10.239 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.024 0.341 -9.695 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.450 1.460 -11.098 1.00 0.00 N ATOM 0 H ARG A 50 9.161 2.337 -10.261 1.00 0.00 H new ATOM 0 HA ARG A 50 10.922 1.190 -12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.102 1.810 -11.186 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.284 3.219 -11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.474 4.279 -9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.598 2.998 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.990 3.496 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.567 1.817 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 50 15.203 3.482 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.246 0.345 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.483 -0.537 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.775 2.329 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.903 0.577 -11.333 1.00 0.00 H new ATOM 719 N MET A 51 9.965 -0.289 -10.135 1.00 0.00 N ATOM 720 CA MET A 51 9.804 -1.357 -9.155 1.00 0.00 C ATOM 721 C MET A 51 11.143 -2.010 -8.824 1.00 0.00 C ATOM 722 O MET A 51 11.752 -2.669 -9.667 1.00 0.00 O ATOM 723 CB MET A 51 8.830 -2.410 -9.677 1.00 0.00 C ATOM 724 CG MET A 51 8.110 -3.166 -8.574 1.00 0.00 C ATOM 725 SD MET A 51 6.438 -2.550 -8.288 1.00 0.00 S ATOM 726 CE MET A 51 6.775 -0.843 -7.864 1.00 0.00 C ATOM 0 H MET A 51 9.291 -0.316 -10.900 1.00 0.00 H new ATOM 0 HA MET A 51 9.404 -0.916 -8.242 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.092 -1.926 -10.317 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.374 -3.121 -10.299 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.064 -4.224 -8.834 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.685 -3.089 -7.651 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.835 -0.314 -7.711 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.366 -0.805 -6.949 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.330 -0.370 -8.674 1.00 0.00 H new ATOM 736 N ILE A 52 11.592 -1.824 -7.589 1.00 0.00 N ATOM 737 CA ILE A 52 12.860 -2.397 -7.142 1.00 0.00 C ATOM 738 C ILE A 52 12.768 -3.920 -7.055 1.00 0.00 C ATOM 739 O ILE A 52 11.672 -4.481 -7.019 1.00 0.00 O ATOM 740 CB ILE A 52 13.314 -1.831 -5.772 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.113 -1.462 -4.890 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.208 -0.617 -5.979 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.496 -1.067 -3.480 1.00 0.00 C ATOM 0 H ILE A 52 11.100 -1.282 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 52 13.605 -2.116 -7.887 1.00 0.00 H new ATOM 0 HB ILE A 52 13.878 -2.609 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.571 -0.638 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.429 -2.310 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.522 -0.227 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.087 -0.906 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.657 0.153 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.597 -0.820 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.012 -1.897 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.155 -0.199 -3.512 1.00 0.00 H new ATOM 755 N PRO A 53 13.921 -4.616 -7.024 1.00 0.00 N ATOM 756 CA PRO A 53 13.959 -6.081 -6.944 1.00 0.00 C ATOM 757 C PRO A 53 13.268 -6.612 -5.693 1.00 0.00 C ATOM 758 O PRO A 53 12.867 -7.775 -5.639 1.00 0.00 O ATOM 759 CB PRO A 53 15.458 -6.410 -6.907 1.00 0.00 C ATOM 760 CG PRO A 53 16.125 -5.139 -6.505 1.00 0.00 C ATOM 761 CD PRO A 53 15.274 -4.035 -7.061 1.00 0.00 C ATOM 0 HA PRO A 53 13.433 -6.542 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.669 -7.208 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.811 -6.750 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.202 -5.064 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.139 -5.088 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.342 -3.129 -6.458 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.571 -3.766 -8.075 1.00 0.00 H new ATOM 769 N GLY A 54 13.137 -5.754 -4.689 1.00 0.00 N ATOM 770 CA GLY A 54 12.500 -6.146 -3.447 1.00 0.00 C ATOM 771 C GLY A 54 11.001 -6.297 -3.580 1.00 0.00 C ATOM 772 O GLY A 54 10.447 -7.366 -3.310 1.00 0.00 O ATOM 0 H GLY A 54 13.463 -4.788 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.927 -7.089 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.719 -5.402 -2.681 1.00 0.00 H new ATOM 776 N PHE A 55 10.343 -5.228 -4.006 1.00 0.00 N ATOM 777 CA PHE A 55 8.905 -5.250 -4.182 1.00 0.00 C ATOM 778 C PHE A 55 8.540 -6.121 -5.374 1.00 0.00 C ATOM 779 O PHE A 55 7.602 -6.915 -5.315 1.00 0.00 O ATOM 780 CB PHE A 55 8.367 -3.832 -4.386 1.00 0.00 C ATOM 781 CG PHE A 55 8.258 -3.005 -3.128 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.370 -3.350 -2.115 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.029 -1.864 -2.970 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.256 -2.576 -0.980 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.920 -1.087 -1.832 1.00 0.00 C ATOM 786 CZ PHE A 55 8.031 -1.443 -0.837 1.00 0.00 C ATOM 0 H PHE A 55 10.785 -4.338 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 55 8.452 -5.667 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.016 -3.311 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.382 -3.896 -4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.762 -4.236 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.724 -1.578 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.560 -2.856 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.529 -0.202 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.942 -0.836 0.052 1.00 0.00 H new ATOM 796 N GLU A 56 9.303 -5.977 -6.454 1.00 0.00 N ATOM 797 CA GLU A 56 9.073 -6.760 -7.659 1.00 0.00 C ATOM 798 C GLU A 56 9.173 -8.252 -7.357 1.00 0.00 C ATOM 799 O GLU A 56 8.715 -9.086 -8.137 1.00 0.00 O ATOM 800 CB GLU A 56 10.078 -6.379 -8.749 1.00 0.00 C ATOM 801 CG GLU A 56 9.758 -6.985 -10.106 1.00 0.00 C ATOM 802 CD GLU A 56 10.300 -6.163 -11.258 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.526 -6.213 -11.498 1.00 0.00 O ATOM 804 OE2 GLU A 56 9.501 -5.470 -11.923 1.00 0.00 O ATOM 0 H GLU A 56 10.085 -5.325 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 56 8.067 -6.542 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.107 -5.293 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.074 -6.699 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.173 -7.991 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.677 -7.081 -10.211 1.00 0.00 H new ATOM 811 N ASP A 57 9.782 -8.581 -6.219 1.00 0.00 N ATOM 812 CA ASP A 57 9.948 -9.966 -5.807 1.00 0.00 C ATOM 813 C ASP A 57 8.657 -10.524 -5.211 1.00 0.00 C ATOM 814 O ASP A 57 7.948 -11.295 -5.858 1.00 0.00 O ATOM 815 CB ASP A 57 11.081 -10.076 -4.786 1.00 0.00 C ATOM 816 CG ASP A 57 12.250 -10.896 -5.297 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.010 -11.986 -5.859 1.00 0.00 O ATOM 818 OD2 ASP A 57 13.404 -10.448 -5.136 1.00 0.00 O ATOM 0 H ASP A 57 10.169 -7.900 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 57 10.197 -10.553 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.429 -9.076 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.698 -10.528 -3.871 1.00 0.00 H new ATOM 823 N GLY A 58 8.379 -10.164 -3.958 1.00 0.00 N ATOM 824 CA GLY A 58 7.197 -10.675 -3.285 1.00 0.00 C ATOM 825 C GLY A 58 5.912 -10.088 -3.817 1.00 0.00 C ATOM 826 O GLY A 58 4.978 -10.819 -4.150 1.00 0.00 O ATOM 0 H GLY A 58 8.950 -9.530 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.166 -11.759 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.273 -10.462 -2.219 1.00 0.00 H new ATOM 830 N ILE A 59 5.861 -8.767 -3.895 1.00 0.00 N ATOM 831 CA ILE A 59 4.695 -8.061 -4.381 1.00 0.00 C ATOM 832 C ILE A 59 4.588 -8.132 -5.892 1.00 0.00 C ATOM 833 O ILE A 59 4.105 -7.208 -6.546 1.00 0.00 O ATOM 834 CB ILE A 59 4.753 -6.599 -3.923 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.091 -6.535 -2.432 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.441 -5.899 -4.213 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.570 -6.603 -2.134 1.00 0.00 C ATOM 0 H ILE A 59 6.631 -8.157 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 59 3.809 -8.541 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 59 5.536 -6.083 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.690 -5.610 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.590 -7.357 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.501 -4.862 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.243 -5.926 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.634 -6.404 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.727 -6.552 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.975 -7.540 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.077 -5.766 -2.615 1.00 0.00 H new ATOM 849 N LYS A 60 4.981 -9.282 -6.413 1.00 0.00 N ATOM 850 CA LYS A 60 4.863 -9.537 -7.838 1.00 0.00 C ATOM 851 C LYS A 60 3.441 -9.142 -8.226 1.00 0.00 C ATOM 852 O LYS A 60 3.207 -8.379 -9.162 1.00 0.00 O ATOM 853 CB LYS A 60 5.121 -11.012 -8.158 1.00 0.00 C ATOM 854 CG LYS A 60 6.556 -11.310 -8.551 1.00 0.00 C ATOM 855 CD LYS A 60 6.920 -12.761 -8.276 1.00 0.00 C ATOM 856 CE LYS A 60 7.355 -13.479 -9.545 1.00 0.00 C ATOM 857 NZ LYS A 60 6.898 -14.897 -9.564 1.00 0.00 N ATOM 0 H LYS A 60 5.382 -10.050 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 60 5.602 -8.964 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.860 -11.614 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.460 -11.319 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.697 -11.093 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.229 -10.654 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.723 -12.802 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.063 -13.276 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.954 -12.956 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.441 -13.446 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.214 -15.352 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.301 -15.402 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.860 -14.928 -9.512 1.00 0.00 H new ATOM 871 N GLY A 61 2.506 -9.721 -7.481 1.00 0.00 N ATOM 872 CA GLY A 61 1.094 -9.505 -7.703 1.00 0.00 C ATOM 873 C GLY A 61 0.460 -10.762 -8.241 1.00 0.00 C ATOM 874 O GLY A 61 -0.332 -10.737 -9.183 1.00 0.00 O ATOM 0 H GLY A 61 2.713 -10.353 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.611 -9.214 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.949 -8.685 -8.406 1.00 0.00 H new ATOM 878 N HIS A 62 0.834 -11.871 -7.625 1.00 0.00 N ATOM 879 CA HIS A 62 0.328 -13.183 -8.033 1.00 0.00 C ATOM 880 C HIS A 62 -0.336 -13.934 -6.879 1.00 0.00 C ATOM 881 O HIS A 62 -0.970 -14.966 -7.093 1.00 0.00 O ATOM 882 CB HIS A 62 1.459 -14.035 -8.617 1.00 0.00 C ATOM 883 CG HIS A 62 2.601 -14.274 -7.674 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.691 -15.053 -8.000 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.826 -13.833 -6.413 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.533 -15.082 -6.985 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.034 -14.349 -6.008 1.00 0.00 N ATOM 0 H HIS A 62 1.485 -11.895 -6.841 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.431 -13.006 -8.795 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.051 -14.997 -8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.840 -13.547 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.176 -13.194 -5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.472 -15.615 -6.958 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.473 -14.191 -5.101 1.00 0.00 H new ATOM 895 N LYS A 63 -0.197 -13.419 -5.664 1.00 0.00 N ATOM 896 CA LYS A 63 -0.799 -14.059 -4.501 1.00 0.00 C ATOM 897 C LYS A 63 -1.722 -13.093 -3.764 1.00 0.00 C ATOM 898 O LYS A 63 -1.343 -12.509 -2.749 1.00 0.00 O ATOM 899 CB LYS A 63 0.284 -14.575 -3.548 1.00 0.00 C ATOM 900 CG LYS A 63 0.883 -15.909 -3.961 1.00 0.00 C ATOM 901 CD LYS A 63 0.242 -17.064 -3.208 1.00 0.00 C ATOM 902 CE LYS A 63 -0.078 -18.225 -4.135 1.00 0.00 C ATOM 903 NZ LYS A 63 -1.078 -17.850 -5.172 1.00 0.00 N ATOM 0 H LYS A 63 0.323 -12.566 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.391 -14.904 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.081 -13.834 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.141 -14.672 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.749 -16.053 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.957 -15.901 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.913 -17.402 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.672 -16.721 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.837 -18.565 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.459 -19.062 -3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.602 -18.697 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.742 -17.153 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.589 -17.438 -5.992 1.00 0.00 H new ATOM 917 N ALA A 64 -2.945 -12.951 -4.268 1.00 0.00 N ATOM 918 CA ALA A 64 -3.933 -12.085 -3.643 1.00 0.00 C ATOM 919 C ALA A 64 -4.215 -12.531 -2.210 1.00 0.00 C ATOM 920 O ALA A 64 -5.064 -13.393 -1.977 1.00 0.00 O ATOM 921 CB ALA A 64 -5.217 -12.082 -4.459 1.00 0.00 C ATOM 0 H ALA A 64 -3.273 -13.426 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.533 -11.072 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.950 -11.431 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.008 -11.718 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.615 -13.095 -4.515 1.00 0.00 H new ATOM 927 N GLY A 65 -3.503 -11.947 -1.250 1.00 0.00 N ATOM 928 CA GLY A 65 -3.700 -12.312 0.144 1.00 0.00 C ATOM 929 C GLY A 65 -2.549 -13.133 0.698 1.00 0.00 C ATOM 930 O GLY A 65 -2.761 -14.070 1.469 1.00 0.00 O ATOM 0 H GLY A 65 -2.795 -11.230 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.817 -11.407 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.626 -12.879 0.241 1.00 0.00 H new ATOM 934 N GLU A 66 -1.328 -12.791 0.292 1.00 0.00 N ATOM 935 CA GLU A 66 -0.136 -13.512 0.736 1.00 0.00 C ATOM 936 C GLU A 66 0.562 -12.815 1.897 1.00 0.00 C ATOM 937 O GLU A 66 0.279 -11.660 2.207 1.00 0.00 O ATOM 938 CB GLU A 66 0.851 -13.654 -0.420 1.00 0.00 C ATOM 939 CG GLU A 66 1.511 -15.019 -0.487 1.00 0.00 C ATOM 940 CD GLU A 66 2.979 -14.944 -0.856 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.308 -14.269 -1.854 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.802 -15.556 -0.143 1.00 0.00 O ATOM 0 H GLU A 66 -1.137 -12.018 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.467 -14.493 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.329 -13.465 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.623 -12.890 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.409 -15.515 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.988 -15.635 -1.219 1.00 0.00 H new ATOM 949 N GLU A 67 1.498 -13.536 2.513 1.00 0.00 N ATOM 950 CA GLU A 67 2.290 -13.014 3.621 1.00 0.00 C ATOM 951 C GLU A 67 3.759 -13.398 3.434 1.00 0.00 C ATOM 952 O GLU A 67 4.148 -14.534 3.707 1.00 0.00 O ATOM 953 CB GLU A 67 1.762 -13.545 4.955 1.00 0.00 C ATOM 954 CG GLU A 67 1.611 -15.057 4.993 1.00 0.00 C ATOM 955 CD GLU A 67 2.139 -15.660 6.280 1.00 0.00 C ATOM 956 OE1 GLU A 67 1.413 -15.622 7.295 1.00 0.00 O ATOM 957 OE2 GLU A 67 3.279 -16.170 6.270 1.00 0.00 O ATOM 0 H GLU A 67 1.727 -14.496 2.257 1.00 0.00 H new ATOM 0 HA GLU A 67 2.208 -11.927 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.438 -13.236 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.795 -13.087 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.559 -15.317 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.141 -15.493 4.147 1.00 0.00 H new ATOM 964 N PHE A 68 4.562 -12.461 2.935 1.00 0.00 N ATOM 965 CA PHE A 68 5.982 -12.724 2.673 1.00 0.00 C ATOM 966 C PHE A 68 6.870 -11.576 3.145 1.00 0.00 C ATOM 967 O PHE A 68 6.390 -10.489 3.452 1.00 0.00 O ATOM 968 CB PHE A 68 6.186 -12.933 1.182 1.00 0.00 C ATOM 969 CG PHE A 68 5.602 -11.810 0.396 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.320 -10.647 0.200 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.325 -11.907 -0.118 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.772 -9.596 -0.504 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.768 -10.861 -0.819 1.00 0.00 C ATOM 974 CZ PHE A 68 4.491 -9.703 -1.014 1.00 0.00 C ATOM 0 H PHE A 68 4.259 -11.515 2.703 1.00 0.00 H new ATOM 0 HA PHE A 68 6.265 -13.618 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.251 -13.016 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.725 -13.872 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.319 -10.560 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.756 -12.813 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.342 -8.691 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.767 -10.947 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.057 -8.881 -1.564 1.00 0.00 H new ATOM 984 N THR A 69 8.177 -11.825 3.197 1.00 0.00 N ATOM 985 CA THR A 69 9.132 -10.814 3.626 1.00 0.00 C ATOM 986 C THR A 69 10.216 -10.588 2.571 1.00 0.00 C ATOM 987 O THR A 69 10.866 -11.537 2.131 1.00 0.00 O ATOM 988 CB THR A 69 9.764 -11.242 4.950 1.00 0.00 C ATOM 989 OG1 THR A 69 10.341 -10.135 5.617 1.00 0.00 O ATOM 990 CG2 THR A 69 10.840 -12.301 4.801 1.00 0.00 C ATOM 0 H THR A 69 8.596 -12.721 2.946 1.00 0.00 H new ATOM 0 HA THR A 69 8.601 -9.872 3.761 1.00 0.00 H new ATOM 0 HB THR A 69 8.942 -11.667 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.324 -9.352 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.241 -12.553 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.412 -13.193 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.642 -11.919 4.169 1.00 0.00 H new ATOM 998 N ILE A 70 10.423 -9.329 2.174 1.00 0.00 N ATOM 999 CA ILE A 70 11.446 -9.015 1.184 1.00 0.00 C ATOM 1000 C ILE A 70 12.252 -7.801 1.611 1.00 0.00 C ATOM 1001 O ILE A 70 11.834 -7.040 2.483 1.00 0.00 O ATOM 1002 CB ILE A 70 10.848 -8.757 -0.219 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.026 -7.463 -0.243 1.00 0.00 C ATOM 1004 CG2 ILE A 70 10.003 -9.941 -0.670 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.759 -7.526 0.580 1.00 0.00 C ATOM 0 H ILE A 70 9.901 -8.524 2.520 1.00 0.00 H new ATOM 0 HA ILE A 70 12.095 -9.889 1.122 1.00 0.00 H new ATOM 0 HB ILE A 70 11.676 -8.639 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.645 -6.644 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.766 -7.229 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.592 -9.739 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.623 -10.836 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.188 -10.097 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.233 -6.573 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.118 -8.322 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.011 -7.728 1.621 1.00 0.00 H new ATOM 1017 N ASP A 71 13.388 -7.598 0.962 1.00 0.00 N ATOM 1018 CA ASP A 71 14.225 -6.446 1.243 1.00 0.00 C ATOM 1019 C ASP A 71 13.873 -5.346 0.256 1.00 0.00 C ATOM 1020 O ASP A 71 13.473 -5.638 -0.867 1.00 0.00 O ATOM 1021 CB ASP A 71 15.707 -6.811 1.133 1.00 0.00 C ATOM 1022 CG ASP A 71 16.596 -5.883 1.937 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.949 -4.803 1.420 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.936 -6.236 3.087 1.00 0.00 O ATOM 0 H ASP A 71 13.750 -8.217 0.237 1.00 0.00 H new ATOM 0 HA ASP A 71 14.047 -6.103 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.852 -7.835 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.008 -6.780 0.086 1.00 0.00 H new ATOM 1029 N VAL A 72 14.026 -4.092 0.649 1.00 0.00 N ATOM 1030 CA VAL A 72 13.719 -2.988 -0.256 1.00 0.00 C ATOM 1031 C VAL A 72 14.656 -1.813 -0.027 1.00 0.00 C ATOM 1032 O VAL A 72 14.890 -1.406 1.110 1.00 0.00 O ATOM 1033 CB VAL A 72 12.262 -2.499 -0.106 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.321 -3.333 -0.963 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.827 -2.519 1.351 1.00 0.00 C ATOM 0 H VAL A 72 14.355 -3.812 1.573 1.00 0.00 H new ATOM 0 HA VAL A 72 13.855 -3.376 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 72 12.216 -1.468 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.300 -2.970 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.613 -3.250 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.375 -4.376 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.797 -2.170 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.895 -3.536 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.476 -1.865 1.934 1.00 0.00 H new ATOM 1045 N THR A 73 15.173 -1.249 -1.110 1.00 0.00 N ATOM 1046 CA THR A 73 16.065 -0.102 -1.033 1.00 0.00 C ATOM 1047 C THR A 73 15.810 0.785 -2.240 1.00 0.00 C ATOM 1048 O THR A 73 15.897 0.331 -3.380 1.00 0.00 O ATOM 1049 CB THR A 73 17.530 -0.549 -1.006 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.830 -1.225 0.204 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.508 0.601 -1.160 1.00 0.00 C ATOM 0 H THR A 73 14.987 -1.571 -2.060 1.00 0.00 H new ATOM 0 HA THR A 73 15.870 0.449 -0.113 1.00 0.00 H new ATOM 0 HB THR A 73 17.647 -1.216 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.770 -1.503 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.528 0.217 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.334 1.101 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.366 1.311 -0.346 1.00 0.00 H new ATOM 1059 N PHE A 74 15.479 2.043 -1.997 1.00 0.00 N ATOM 1060 CA PHE A 74 15.191 2.966 -3.079 1.00 0.00 C ATOM 1061 C PHE A 74 16.463 3.614 -3.630 1.00 0.00 C ATOM 1062 O PHE A 74 17.264 4.167 -2.874 1.00 0.00 O ATOM 1063 CB PHE A 74 14.195 4.011 -2.599 1.00 0.00 C ATOM 1064 CG PHE A 74 12.821 3.433 -2.403 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.611 2.374 -1.530 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.745 3.935 -3.108 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.348 1.833 -1.368 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.481 3.403 -2.950 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.281 2.350 -2.080 1.00 0.00 C ATOM 0 H PHE A 74 15.404 2.446 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 74 14.749 2.408 -3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.545 4.441 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.146 4.824 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.442 1.969 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.895 4.756 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.196 1.009 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.650 3.810 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.293 1.931 -1.956 1.00 0.00 H new ATOM 1079 N PRO A 75 16.667 3.549 -4.962 1.00 0.00 N ATOM 1080 CA PRO A 75 17.850 4.126 -5.613 1.00 0.00 C ATOM 1081 C PRO A 75 17.872 5.650 -5.564 1.00 0.00 C ATOM 1082 O PRO A 75 16.932 6.283 -5.084 1.00 0.00 O ATOM 1083 CB PRO A 75 17.732 3.644 -7.061 1.00 0.00 C ATOM 1084 CG PRO A 75 16.279 3.386 -7.258 1.00 0.00 C ATOM 1085 CD PRO A 75 15.763 2.903 -5.935 1.00 0.00 C ATOM 0 HA PRO A 75 18.769 3.817 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.099 4.396 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.320 2.741 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.761 4.292 -7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.117 2.640 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.725 3.196 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.802 1.816 -5.860 1.00 0.00 H new ATOM 1093 N GLU A 76 18.956 6.230 -6.069 1.00 0.00 N ATOM 1094 CA GLU A 76 19.118 7.679 -6.092 1.00 0.00 C ATOM 1095 C GLU A 76 18.185 8.330 -7.115 1.00 0.00 C ATOM 1096 O GLU A 76 18.012 9.548 -7.118 1.00 0.00 O ATOM 1097 CB GLU A 76 20.568 8.043 -6.414 1.00 0.00 C ATOM 1098 CG GLU A 76 21.045 7.509 -7.756 1.00 0.00 C ATOM 1099 CD GLU A 76 22.543 7.275 -7.795 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.291 8.250 -8.022 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.968 6.116 -7.603 1.00 0.00 O ATOM 0 H GLU A 76 19.740 5.715 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 76 18.858 8.057 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.672 9.128 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.215 7.655 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.530 6.574 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.771 8.214 -8.541 1.00 0.00 H new ATOM 1108 N GLU A 77 17.587 7.514 -7.983 1.00 0.00 N ATOM 1109 CA GLU A 77 16.679 8.026 -9.005 1.00 0.00 C ATOM 1110 C GLU A 77 15.259 8.154 -8.462 1.00 0.00 C ATOM 1111 O GLU A 77 14.520 9.062 -8.843 1.00 0.00 O ATOM 1112 CB GLU A 77 16.690 7.119 -10.238 1.00 0.00 C ATOM 1113 CG GLU A 77 16.407 5.656 -9.933 1.00 0.00 C ATOM 1114 CD GLU A 77 17.307 4.715 -10.709 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.428 4.436 -10.233 1.00 0.00 O ATOM 1116 OE2 GLU A 77 16.892 4.257 -11.795 1.00 0.00 O ATOM 0 H GLU A 77 17.715 6.502 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 77 17.027 9.018 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.948 7.481 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.662 7.196 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.537 5.479 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.366 5.434 -10.168 1.00 0.00 H new ATOM 1123 N TYR A 78 14.884 7.249 -7.564 1.00 0.00 N ATOM 1124 CA TYR A 78 13.554 7.275 -6.965 1.00 0.00 C ATOM 1125 C TYR A 78 13.397 8.505 -6.080 1.00 0.00 C ATOM 1126 O TYR A 78 12.671 9.441 -6.417 1.00 0.00 O ATOM 1127 CB TYR A 78 13.315 6.003 -6.146 1.00 0.00 C ATOM 1128 CG TYR A 78 11.858 5.628 -6.015 1.00 0.00 C ATOM 1129 CD1 TYR A 78 10.999 6.344 -5.183 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.339 4.552 -6.722 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.667 5.994 -5.066 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.010 4.199 -6.611 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.178 4.923 -5.783 1.00 0.00 C ATOM 1134 OH TYR A 78 7.850 4.576 -5.670 1.00 0.00 O ATOM 0 H TYR A 78 15.481 6.490 -7.235 1.00 0.00 H new ATOM 0 HA TYR A 78 12.814 7.321 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.853 5.177 -6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.737 6.139 -5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.380 7.184 -4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.987 3.981 -7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.013 6.557 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.623 3.360 -7.170 1.00 0.00 H new ATOM 0 HH TYR A 78 7.665 3.801 -6.240 1.00 0.00 H new ATOM 1144 N HIS A 79 14.102 8.494 -4.953 1.00 0.00 N ATOM 1145 CA HIS A 79 14.086 9.596 -3.994 1.00 0.00 C ATOM 1146 C HIS A 79 12.724 10.290 -3.900 1.00 0.00 C ATOM 1147 O HIS A 79 12.558 11.415 -4.373 1.00 0.00 O ATOM 1148 CB HIS A 79 15.174 10.609 -4.348 1.00 0.00 C ATOM 1149 CG HIS A 79 16.532 10.193 -3.877 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.588 11.067 -3.739 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.002 8.979 -3.497 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.648 10.414 -3.296 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.318 9.145 -3.141 1.00 0.00 N ATOM 0 H HIS A 79 14.703 7.718 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 79 14.284 9.166 -3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.197 10.748 -5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.922 11.574 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.445 8.054 -3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.618 10.845 -3.095 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.940 8.407 -2.810 1.00 0.00 H new ATOM 1161 N ALA A 80 11.760 9.620 -3.268 1.00 0.00 N ATOM 1162 CA ALA A 80 10.424 10.185 -3.092 1.00 0.00 C ATOM 1163 C ALA A 80 10.380 11.094 -1.865 1.00 0.00 C ATOM 1164 O ALA A 80 11.138 10.910 -0.916 1.00 0.00 O ATOM 1165 CB ALA A 80 9.390 9.078 -2.970 1.00 0.00 C ATOM 0 H ALA A 80 11.880 8.688 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 80 10.188 10.784 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.401 9.517 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.400 8.469 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.626 8.453 -2.109 1.00 0.00 H new ATOM 1171 N GLU A 81 9.501 12.084 -1.902 1.00 0.00 N ATOM 1172 CA GLU A 81 9.370 13.042 -0.808 1.00 0.00 C ATOM 1173 C GLU A 81 9.131 12.376 0.550 1.00 0.00 C ATOM 1174 O GLU A 81 9.451 12.956 1.588 1.00 0.00 O ATOM 1175 CB GLU A 81 8.219 14.006 -1.096 1.00 0.00 C ATOM 1176 CG GLU A 81 8.499 14.977 -2.230 1.00 0.00 C ATOM 1177 CD GLU A 81 7.257 15.728 -2.669 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.333 15.883 -1.842 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.206 16.161 -3.839 1.00 0.00 O ATOM 0 H GLU A 81 8.863 12.248 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 81 10.319 13.575 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.326 13.429 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.998 14.573 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.259 15.691 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.909 14.431 -3.079 1.00 0.00 H new ATOM 1186 N ASN A 82 8.533 11.189 0.556 1.00 0.00 N ATOM 1187 CA ASN A 82 8.224 10.514 1.815 1.00 0.00 C ATOM 1188 C ASN A 82 9.289 9.501 2.257 1.00 0.00 C ATOM 1189 O ASN A 82 9.536 9.355 3.454 1.00 0.00 O ATOM 1190 CB ASN A 82 6.857 9.832 1.724 1.00 0.00 C ATOM 1191 CG ASN A 82 6.742 8.911 0.527 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.049 9.216 -0.443 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.420 7.775 0.592 1.00 0.00 N ATOM 0 H ASN A 82 8.255 10.679 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 82 8.209 11.291 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.679 9.261 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.079 10.593 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.380 7.112 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.982 7.563 1.416 1.00 0.00 H new ATOM 1200 N LEU A 83 9.899 8.782 1.316 1.00 0.00 N ATOM 1201 CA LEU A 83 10.903 7.776 1.684 1.00 0.00 C ATOM 1202 C LEU A 83 12.155 7.819 0.806 1.00 0.00 C ATOM 1203 O LEU A 83 12.921 6.864 0.767 1.00 0.00 O ATOM 1204 CB LEU A 83 10.278 6.372 1.658 1.00 0.00 C ATOM 1205 CG LEU A 83 10.155 5.682 0.286 1.00 0.00 C ATOM 1206 CD1 LEU A 83 9.979 6.672 -0.858 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.362 4.807 0.028 1.00 0.00 C ATOM 0 H LEU A 83 9.724 8.871 0.315 1.00 0.00 H new ATOM 0 HA LEU A 83 11.230 8.017 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.868 5.727 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.281 6.438 2.094 1.00 0.00 H new ATOM 0 HG LEU A 83 9.255 5.068 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.898 6.129 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.073 7.257 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.840 7.340 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.261 4.326 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.264 5.419 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.432 4.045 0.804 1.00 0.00 H new ATOM 1219 N LYS A 84 12.356 8.922 0.105 1.00 0.00 N ATOM 1220 CA LYS A 84 13.518 9.084 -0.779 1.00 0.00 C ATOM 1221 C LYS A 84 14.767 8.343 -0.279 1.00 0.00 C ATOM 1222 O LYS A 84 15.221 8.550 0.845 1.00 0.00 O ATOM 1223 CB LYS A 84 13.847 10.568 -0.960 1.00 0.00 C ATOM 1224 CG LYS A 84 13.876 11.353 0.340 1.00 0.00 C ATOM 1225 CD LYS A 84 14.183 12.820 0.090 1.00 0.00 C ATOM 1226 CE LYS A 84 12.913 13.652 0.017 1.00 0.00 C ATOM 1227 NZ LYS A 84 12.569 14.017 -1.384 1.00 0.00 N ATOM 0 H LYS A 84 11.731 9.728 0.125 1.00 0.00 H new ATOM 0 HA LYS A 84 13.238 8.639 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.817 10.658 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.110 11.015 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.914 11.261 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.628 10.930 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.822 13.200 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.740 12.922 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.088 13.095 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.039 14.559 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.913 14.824 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.435 14.276 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.117 13.206 -1.853 1.00 0.00 H new ATOM 1241 N GLY A 85 15.322 7.493 -1.149 1.00 0.00 N ATOM 1242 CA GLY A 85 16.525 6.738 -0.820 1.00 0.00 C ATOM 1243 C GLY A 85 16.441 6.001 0.506 1.00 0.00 C ATOM 1244 O GLY A 85 17.326 6.136 1.349 1.00 0.00 O ATOM 0 H GLY A 85 14.955 7.314 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.719 6.017 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.375 7.420 -0.793 1.00 0.00 H new ATOM 1248 N LYS A 86 15.382 5.224 0.695 1.00 0.00 N ATOM 1249 CA LYS A 86 15.210 4.475 1.936 1.00 0.00 C ATOM 1250 C LYS A 86 15.640 3.017 1.803 1.00 0.00 C ATOM 1251 O LYS A 86 14.833 2.151 1.461 1.00 0.00 O ATOM 1252 CB LYS A 86 13.762 4.534 2.409 1.00 0.00 C ATOM 1253 CG LYS A 86 13.619 4.549 3.920 1.00 0.00 C ATOM 1254 CD LYS A 86 14.183 5.824 4.527 1.00 0.00 C ATOM 1255 CE LYS A 86 13.307 7.028 4.223 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.925 7.764 5.460 1.00 0.00 N ATOM 0 H LYS A 86 14.635 5.096 0.013 1.00 0.00 H new ATOM 0 HA LYS A 86 15.857 4.950 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.290 5.427 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.222 3.676 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.566 4.454 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.134 3.686 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.274 5.704 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.187 5.998 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.837 7.701 3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.407 6.700 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.314 8.568 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.412 7.125 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.782 8.114 5.934 1.00 0.00 H new ATOM 1270 N ALA A 87 16.899 2.744 2.118 1.00 0.00 N ATOM 1271 CA ALA A 87 17.415 1.383 2.079 1.00 0.00 C ATOM 1272 C ALA A 87 16.945 0.640 3.323 1.00 0.00 C ATOM 1273 O ALA A 87 17.520 0.804 4.398 1.00 0.00 O ATOM 1274 CB ALA A 87 18.933 1.395 2.006 1.00 0.00 C ATOM 0 H ALA A 87 17.581 3.447 2.403 1.00 0.00 H new ATOM 0 HA ALA A 87 17.040 0.875 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.304 0.370 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.250 1.921 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.335 1.902 2.883 1.00 0.00 H new ATOM 1280 N ALA A 88 15.870 -0.136 3.195 1.00 0.00 N ATOM 1281 CA ALA A 88 15.326 -0.838 4.351 1.00 0.00 C ATOM 1282 C ALA A 88 14.928 -2.285 4.067 1.00 0.00 C ATOM 1283 O ALA A 88 15.164 -2.830 2.990 1.00 0.00 O ATOM 1284 CB ALA A 88 14.124 -0.064 4.894 1.00 0.00 C ATOM 0 H ALA A 88 15.369 -0.292 2.321 1.00 0.00 H new ATOM 0 HA ALA A 88 16.125 -0.886 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.715 -0.587 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.439 0.936 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.360 0.011 4.120 1.00 0.00 H new ATOM 1290 N LYS A 89 14.295 -2.872 5.073 1.00 0.00 N ATOM 1291 CA LYS A 89 13.796 -4.238 5.023 1.00 0.00 C ATOM 1292 C LYS A 89 12.317 -4.205 5.371 1.00 0.00 C ATOM 1293 O LYS A 89 11.922 -3.492 6.290 1.00 0.00 O ATOM 1294 CB LYS A 89 14.569 -5.127 6.003 1.00 0.00 C ATOM 1295 CG LYS A 89 13.959 -6.508 6.203 1.00 0.00 C ATOM 1296 CD LYS A 89 13.815 -6.850 7.678 1.00 0.00 C ATOM 1297 CE LYS A 89 12.993 -5.806 8.421 1.00 0.00 C ATOM 1298 NZ LYS A 89 11.769 -6.394 9.031 1.00 0.00 N ATOM 0 H LYS A 89 14.111 -2.405 5.961 1.00 0.00 H new ATOM 0 HA LYS A 89 13.935 -4.658 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.592 -5.242 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.625 -4.623 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.981 -6.547 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.584 -7.256 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.341 -7.826 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.803 -6.926 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.604 -5.350 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.709 -5.010 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.540 -5.885 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.975 -6.310 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.936 -7.398 9.246 1.00 0.00 H new ATOM 1312 N PHE A 90 11.508 -4.997 4.680 1.00 0.00 N ATOM 1313 CA PHE A 90 10.071 -5.055 4.966 1.00 0.00 C ATOM 1314 C PHE A 90 9.554 -6.483 4.958 1.00 0.00 C ATOM 1315 O PHE A 90 10.101 -7.349 4.278 1.00 0.00 O ATOM 1316 CB PHE A 90 9.242 -4.307 3.915 1.00 0.00 C ATOM 1317 CG PHE A 90 9.572 -2.864 3.679 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.342 -2.129 4.560 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.074 -2.245 2.552 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.616 -0.795 4.317 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.339 -0.912 2.300 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.114 -0.185 3.185 1.00 0.00 C ATOM 0 H PHE A 90 11.814 -5.606 3.922 1.00 0.00 H new ATOM 0 HA PHE A 90 9.961 -4.597 5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.343 -4.836 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.193 -4.370 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.734 -2.601 5.448 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.469 -2.809 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.222 -0.232 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.942 -0.439 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.326 0.856 2.991 1.00 0.00 H new ATOM 1332 N ALA A 91 8.444 -6.704 5.653 1.00 0.00 N ATOM 1333 CA ALA A 91 7.782 -7.992 5.667 1.00 0.00 C ATOM 1334 C ALA A 91 6.357 -7.698 5.231 1.00 0.00 C ATOM 1335 O ALA A 91 5.582 -7.085 5.965 1.00 0.00 O ATOM 1336 CB ALA A 91 7.822 -8.625 7.051 1.00 0.00 C ATOM 0 H ALA A 91 7.982 -5.993 6.220 1.00 0.00 H new ATOM 0 HA ALA A 91 8.271 -8.710 5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.316 -9.590 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.859 -8.767 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.320 -7.972 7.765 1.00 0.00 H new ATOM 1342 N ILE A 92 6.067 -8.031 3.983 1.00 0.00 N ATOM 1343 CA ILE A 92 4.787 -7.689 3.381 1.00 0.00 C ATOM 1344 C ILE A 92 3.774 -8.826 3.297 1.00 0.00 C ATOM 1345 O ILE A 92 4.106 -10.006 3.386 1.00 0.00 O ATOM 1346 CB ILE A 92 5.026 -7.143 1.958 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.172 -6.114 1.959 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.752 -6.555 1.385 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.189 -5.202 0.752 1.00 0.00 C ATOM 0 H ILE A 92 6.701 -8.538 3.366 1.00 0.00 H new ATOM 0 HA ILE A 92 4.349 -6.947 4.048 1.00 0.00 H new ATOM 0 HB ILE A 92 5.323 -7.972 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.097 -5.505 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.122 -6.645 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.945 -6.176 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.983 -7.326 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.410 -5.739 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.026 -4.509 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.297 -5.799 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.256 -4.640 0.707 1.00 0.00 H new ATOM 1361 N ASN A 93 2.522 -8.423 3.084 1.00 0.00 N ATOM 1362 CA ASN A 93 1.402 -9.337 2.928 1.00 0.00 C ATOM 1363 C ASN A 93 0.538 -8.882 1.749 1.00 0.00 C ATOM 1364 O ASN A 93 -0.189 -7.893 1.850 1.00 0.00 O ATOM 1365 CB ASN A 93 0.562 -9.390 4.205 1.00 0.00 C ATOM 1366 CG ASN A 93 1.275 -10.086 5.347 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.450 -10.440 5.239 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.566 -10.284 6.453 1.00 0.00 N ATOM 0 H ASN A 93 2.259 -7.440 3.015 1.00 0.00 H new ATOM 0 HA ASN A 93 1.788 -10.338 2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.305 -8.375 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.374 -9.908 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.992 -10.746 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.405 -9.974 6.499 1.00 0.00 H new ATOM 1375 N LEU A 94 0.641 -9.587 0.626 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.114 -9.232 -0.578 1.00 0.00 C ATOM 1377 C LEU A 94 -1.616 -9.394 -0.382 1.00 0.00 C ATOM 1378 O LEU A 94 -2.061 -10.169 0.460 1.00 0.00 O ATOM 1379 CB LEU A 94 0.344 -10.078 -1.765 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.067 -9.545 -3.139 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.710 -8.279 -3.471 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.154 -10.602 -4.210 1.00 0.00 C ATOM 0 H LEU A 94 1.238 -10.407 0.522 1.00 0.00 H new ATOM 0 HA LEU A 94 0.085 -8.180 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.430 -10.161 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.056 -11.085 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.129 -9.302 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.406 -7.912 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.504 -7.518 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.777 -8.499 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.144 -10.205 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.209 -10.876 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.444 -11.484 -3.980 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.393 -8.658 -1.179 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.847 -8.730 -1.103 1.00 0.00 C ATOM 1396 C LYS A 95 -4.490 -8.400 -2.460 1.00 0.00 C ATOM 1397 O LYS A 95 -4.509 -9.237 -3.360 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.376 -7.800 -0.005 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.251 -8.376 1.396 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.365 -7.872 2.297 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.402 -8.625 3.616 1.00 0.00 C ATOM 1402 NZ LYS A 95 -4.395 -8.103 4.581 1.00 0.00 N ATOM 0 H LYS A 95 -2.038 -8.009 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.122 -9.753 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.834 -6.855 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.424 -7.576 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.282 -9.465 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.285 -8.103 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.225 -6.808 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.323 -7.981 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.398 -8.545 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.217 -9.684 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.158 -8.845 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.536 -7.820 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.787 -7.279 5.080 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.062 -7.204 -2.587 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.745 -6.823 -3.817 1.00 0.00 C ATOM 1418 C LYS A 96 -4.772 -6.468 -4.938 1.00 0.00 C ATOM 1419 O LYS A 96 -4.205 -5.378 -4.965 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.684 -5.643 -3.554 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.145 -5.950 -3.849 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.948 -6.138 -2.570 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.032 -7.604 -2.172 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.392 -8.166 -2.405 1.00 0.00 N ATOM 0 H LYS A 96 -5.065 -6.489 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.320 -7.689 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.589 -5.339 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.369 -4.796 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.577 -5.138 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.212 -6.852 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.488 -5.567 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.953 -5.740 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.300 -8.177 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.771 -7.710 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.408 -9.166 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.088 -7.636 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.631 -8.089 -3.414 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.612 -7.394 -5.881 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.744 -7.193 -7.034 1.00 0.00 C ATOM 1440 C VAL A 97 -4.590 -7.073 -8.302 1.00 0.00 C ATOM 1441 O VAL A 97 -5.138 -8.061 -8.784 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.738 -8.365 -7.178 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.425 -9.713 -6.961 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.036 -8.332 -8.533 1.00 0.00 C ATOM 0 H VAL A 97 -5.079 -8.301 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.179 -6.273 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.981 -8.241 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.695 -10.515 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.855 -9.745 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.216 -9.841 -7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.338 -9.166 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.777 -8.412 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.491 -7.394 -8.638 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.705 -5.856 -8.832 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.503 -5.617 -10.035 1.00 0.00 C ATOM 1456 C GLU A 98 -4.744 -4.750 -11.046 1.00 0.00 C ATOM 1457 O GLU A 98 -3.703 -4.183 -10.722 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.828 -4.958 -9.656 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.609 -5.719 -8.595 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.439 -4.803 -7.716 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.909 -4.323 -6.692 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.618 -4.566 -8.052 1.00 0.00 O ATOM 0 H GLU A 98 -4.258 -5.023 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.703 -6.578 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.631 -3.948 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.445 -4.863 -10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.264 -6.443 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.915 -6.284 -7.973 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.268 -4.666 -12.276 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.624 -3.885 -13.341 1.00 0.00 C ATOM 1471 C GLU A 99 -5.140 -2.454 -13.421 1.00 0.00 C ATOM 1472 O GLU A 99 -6.099 -2.166 -14.130 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.808 -4.564 -14.700 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.050 -3.870 -15.824 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.920 -3.577 -17.030 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.130 -3.325 -16.845 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.392 -3.599 -18.162 1.00 0.00 O ATOM 0 H GLU A 99 -6.133 -5.127 -12.558 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.565 -3.843 -13.086 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.474 -5.599 -14.630 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.869 -4.588 -14.947 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.630 -2.936 -15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.212 -4.496 -16.131 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.467 -1.553 -12.710 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.834 -0.141 -12.715 1.00 0.00 C ATOM 1486 C ARG A 100 -4.549 0.495 -14.069 1.00 0.00 C ATOM 1487 O ARG A 100 -3.865 -0.085 -14.911 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.055 0.611 -11.636 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.569 0.741 -11.949 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.155 2.192 -12.141 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.074 2.322 -13.119 1.00 0.00 N ATOM 1492 CZ ARG A 100 0.185 2.632 -12.810 1.00 0.00 C ATOM 1493 NH1 ARG A 100 0.526 2.901 -11.556 1.00 0.00 N ATOM 1494 NH2 ARG A 100 1.106 2.690 -13.762 1.00 0.00 N ATOM 0 H ARG A 100 -3.664 -1.777 -12.123 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.903 -0.075 -12.512 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.483 1.606 -11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.175 0.095 -10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.987 0.302 -11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.337 0.175 -12.851 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.015 2.775 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.834 2.608 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.299 2.165 -14.101 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.178 2.872 -10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.492 3.137 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.851 2.497 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.069 2.927 -13.526 1.00 0.00 H new