USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 710 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 74 ASN : amide:sc= 1.13 K(o=3.4,f=1.1) USER MOD Set 1.2: A 78 THR OG1 : rot -75:sc= 2.27 USER MOD Set 2.1: A 19 TYR OH : rot -176:sc= 1.08 USER MOD Set 2.2: A 104 ASN : amide:sc= 0.929 K(o=2,f=-0.6) USER MOD Single : A 14 SER OG : rot 111:sc= 1.15 USER MOD Single : A 17 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.038) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000406) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00164 (180deg=-0.128) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.0369 USER MOD Single : A 83 TYR OH : rot 23:sc= 0.449 USER MOD Single : A 90 ASN : amide:sc= 0.342 K(o=0.34,f=-1.4!) USER MOD Single : A 91 TYR OH : rot -152:sc= 1.28 USER MOD Single : A 92 ASN : amide:sc= 0.368 X(o=0.37,f=-0.019) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 100 ASN : amide:sc=-0.00404 X(o=-0.004,f=-0.004) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot 34:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 165 N PRO A 11 -11.698 3.491 -17.391 1.00 0.00 N ATOM 166 CA PRO A 11 -11.660 4.679 -16.556 1.00 0.00 C ATOM 167 C PRO A 11 -10.497 4.639 -15.580 1.00 0.00 C ATOM 168 O PRO A 11 -10.021 3.584 -15.166 1.00 0.00 O ATOM 169 CB PRO A 11 -13.015 4.710 -15.848 1.00 0.00 C ATOM 170 CG PRO A 11 -13.223 3.231 -15.537 1.00 0.00 C ATOM 171 CD PRO A 11 -12.756 2.642 -16.874 1.00 0.00 C ATOM 0 HA PRO A 11 -11.499 5.585 -17.140 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.993 5.321 -14.946 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.803 5.111 -16.486 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.624 2.889 -14.693 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.261 2.990 -15.309 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.394 1.623 -16.736 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.585 2.593 -17.580 1.00 0.00 H new ATOM 179 N ALA A 12 -10.017 5.835 -15.238 1.00 0.00 N ATOM 180 CA ALA A 12 -8.980 6.115 -14.271 1.00 0.00 C ATOM 181 C ALA A 12 -9.475 6.144 -12.835 1.00 0.00 C ATOM 182 O ALA A 12 -10.485 6.807 -12.618 1.00 0.00 O ATOM 183 CB ALA A 12 -8.164 7.344 -14.656 1.00 0.00 C ATOM 0 H ALA A 12 -10.375 6.689 -15.666 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.297 5.266 -14.303 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.395 7.521 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.693 7.179 -15.625 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.820 8.212 -14.715 1.00 0.00 H new ATOM 189 N PRO A 13 -8.843 5.530 -11.827 1.00 0.00 N ATOM 190 CA PRO A 13 -9.153 5.625 -10.421 1.00 0.00 C ATOM 191 C PRO A 13 -8.951 7.046 -9.901 1.00 0.00 C ATOM 192 O PRO A 13 -8.106 7.710 -10.488 1.00 0.00 O ATOM 193 CB PRO A 13 -8.179 4.666 -9.757 1.00 0.00 C ATOM 194 CG PRO A 13 -7.636 3.743 -10.849 1.00 0.00 C ATOM 195 CD PRO A 13 -7.703 4.676 -12.055 1.00 0.00 C ATOM 0 HA PRO A 13 -10.194 5.378 -10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.367 5.213 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.678 4.089 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.621 3.406 -10.641 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.248 2.850 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.788 5.261 -12.148 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.816 4.112 -12.981 1.00 0.00 H new ATOM 203 N SER A 14 -9.569 7.425 -8.786 1.00 0.00 N ATOM 204 CA SER A 14 -9.749 8.795 -8.354 1.00 0.00 C ATOM 205 C SER A 14 -9.457 8.962 -6.875 1.00 0.00 C ATOM 206 O SER A 14 -9.339 7.951 -6.180 1.00 0.00 O ATOM 207 CB SER A 14 -11.097 9.439 -8.670 1.00 0.00 C ATOM 208 OG SER A 14 -11.492 9.030 -9.967 1.00 0.00 O ATOM 0 H SER A 14 -9.973 6.751 -8.135 1.00 0.00 H new ATOM 0 HA SER A 14 -9.018 9.330 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.843 9.139 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.020 10.525 -8.621 1.00 0.00 H new ATOM 0 HG SER A 14 -12.267 8.434 -9.900 1.00 0.00 H new ATOM 214 N ALA A 15 -9.099 10.156 -6.391 1.00 0.00 N ATOM 215 CA ALA A 15 -8.650 10.426 -5.043 1.00 0.00 C ATOM 216 C ALA A 15 -9.710 10.446 -3.946 1.00 0.00 C ATOM 217 O ALA A 15 -9.519 10.030 -2.804 1.00 0.00 O ATOM 218 CB ALA A 15 -7.940 11.770 -5.031 1.00 0.00 C ATOM 0 H ALA A 15 -9.120 10.997 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.009 9.579 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.594 11.990 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.086 11.736 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.630 12.549 -5.356 1.00 0.00 H new ATOM 224 N GLU A 16 -10.951 10.878 -4.179 1.00 0.00 N ATOM 225 CA GLU A 16 -12.154 10.498 -3.484 1.00 0.00 C ATOM 226 C GLU A 16 -12.501 9.011 -3.473 1.00 0.00 C ATOM 227 O GLU A 16 -13.339 8.630 -2.655 1.00 0.00 O ATOM 228 CB GLU A 16 -13.317 11.237 -4.128 1.00 0.00 C ATOM 229 CG GLU A 16 -13.279 12.709 -3.704 1.00 0.00 C ATOM 230 CD GLU A 16 -14.366 13.660 -4.186 1.00 0.00 C ATOM 231 OE1 GLU A 16 -15.145 13.353 -5.122 1.00 0.00 O ATOM 232 OE2 GLU A 16 -14.517 14.697 -3.513 1.00 0.00 O1- ATOM 0 H GLU A 16 -11.141 11.555 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.972 10.758 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.257 11.158 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.262 10.784 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.283 12.734 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.322 13.117 -4.028 1.00 0.00 H new ATOM 239 N HIS A 17 -11.843 8.237 -4.340 1.00 0.00 N ATOM 240 CA HIS A 17 -12.311 6.940 -4.770 1.00 0.00 C ATOM 241 C HIS A 17 -11.244 5.854 -4.791 1.00 0.00 C ATOM 242 O HIS A 17 -11.428 4.735 -5.272 1.00 0.00 O ATOM 243 CB HIS A 17 -13.012 7.061 -6.117 1.00 0.00 C ATOM 244 CG HIS A 17 -14.284 7.873 -6.057 1.00 0.00 C ATOM 245 ND1 HIS A 17 -15.308 7.838 -5.135 1.00 0.00 N ATOM 246 CD2 HIS A 17 -14.582 8.871 -6.958 1.00 0.00 C ATOM 247 CE1 HIS A 17 -16.190 8.793 -5.448 1.00 0.00 C ATOM 248 NE2 HIS A 17 -15.802 9.423 -6.569 1.00 0.00 N ATOM 0 H HIS A 17 -10.956 8.509 -4.763 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.022 6.607 -4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.330 7.519 -6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.243 6.063 -6.489 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.984 9.170 -7.806 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -17.081 9.023 -4.884 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.307 10.169 -7.048 1.00 0.00 H new ATOM 256 N SER A 18 -10.123 6.039 -4.090 1.00 0.00 N ATOM 257 CA SER A 18 -9.103 5.032 -3.876 1.00 0.00 C ATOM 258 C SER A 18 -8.656 5.129 -2.432 1.00 0.00 C ATOM 259 O SER A 18 -8.144 6.177 -2.022 1.00 0.00 O ATOM 260 CB SER A 18 -7.944 5.174 -4.863 1.00 0.00 C ATOM 261 OG SER A 18 -7.067 4.067 -4.788 1.00 0.00 O ATOM 0 H SER A 18 -9.901 6.929 -3.643 1.00 0.00 H new ATOM 0 HA SER A 18 -9.510 4.038 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.335 5.263 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.394 6.091 -4.652 1.00 0.00 H new ATOM 0 HG SER A 18 -6.337 4.184 -5.431 1.00 0.00 H new ATOM 267 N TYR A 19 -8.811 4.049 -1.660 1.00 0.00 N ATOM 268 CA TYR A 19 -8.637 3.988 -0.217 1.00 0.00 C ATOM 269 C TYR A 19 -8.260 2.582 0.244 1.00 0.00 C ATOM 270 O TYR A 19 -8.443 1.706 -0.596 1.00 0.00 O ATOM 271 CB TYR A 19 -9.901 4.429 0.505 1.00 0.00 C ATOM 272 CG TYR A 19 -9.899 5.936 0.578 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.908 6.623 -0.105 1.00 0.00 C ATOM 274 CD2 TYR A 19 -9.039 6.556 1.484 1.00 0.00 C ATOM 275 CE1 TYR A 19 -11.032 7.985 0.208 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.151 7.937 1.672 1.00 0.00 C ATOM 277 CZ TYR A 19 -10.182 8.693 1.082 1.00 0.00 C ATOM 278 OH TYR A 19 -10.352 10.031 1.302 1.00 0.00 O ATOM 0 H TYR A 19 -9.076 3.146 -2.054 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.823 4.669 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.785 4.075 -0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.937 4.000 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.549 6.137 -0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.303 5.982 2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.839 8.532 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.423 8.441 2.290 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.636 10.360 1.884 1.00 0.00 H new ATOM 288 N ALA A 20 -7.522 2.379 1.326 1.00 0.00 N ATOM 289 CA ALA A 20 -6.821 1.133 1.572 1.00 0.00 C ATOM 290 C ALA A 20 -6.778 0.602 2.996 1.00 0.00 C ATOM 291 O ALA A 20 -6.971 1.342 3.954 1.00 0.00 O ATOM 292 CB ALA A 20 -5.406 1.221 1.010 1.00 0.00 C ATOM 0 H ALA A 20 -7.394 3.077 2.058 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.435 0.396 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.882 0.284 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.452 1.404 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.872 2.038 1.495 1.00 0.00 H new ATOM 298 N GLU A 21 -6.542 -0.704 3.151 1.00 0.00 N ATOM 299 CA GLU A 21 -6.855 -1.505 4.325 1.00 0.00 C ATOM 300 C GLU A 21 -5.942 -2.710 4.462 1.00 0.00 C ATOM 301 O GLU A 21 -5.641 -3.331 3.447 1.00 0.00 O ATOM 302 CB GLU A 21 -8.312 -1.948 4.347 1.00 0.00 C ATOM 303 CG GLU A 21 -8.682 -2.779 3.121 1.00 0.00 C ATOM 304 CD GLU A 21 -10.067 -3.367 3.344 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.153 -4.555 3.726 1.00 0.00 O ATOM 306 OE2 GLU A 21 -11.095 -2.696 3.123 1.00 0.00 O1- ATOM 0 H GLU A 21 -6.102 -1.257 2.415 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.684 -0.853 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.499 -2.531 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.956 -1.070 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.672 -2.159 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.952 -3.574 2.966 1.00 0.00 H new ATOM 313 N GLY A 22 -5.481 -3.137 5.635 1.00 0.00 N ATOM 314 CA GLY A 22 -4.530 -4.179 5.956 1.00 0.00 C ATOM 315 C GLY A 22 -3.440 -3.813 6.956 1.00 0.00 C ATOM 316 O GLY A 22 -3.200 -2.634 7.220 1.00 0.00 O ATOM 0 H GLY A 22 -5.816 -2.695 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.080 -5.035 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.052 -4.502 5.031 1.00 0.00 H new ATOM 320 N GLU A 23 -2.834 -4.785 7.633 1.00 0.00 N ATOM 321 CA GLU A 23 -1.889 -4.544 8.704 1.00 0.00 C ATOM 322 C GLU A 23 -0.589 -3.829 8.381 1.00 0.00 C ATOM 323 O GLU A 23 -0.113 -3.180 9.309 1.00 0.00 O ATOM 324 CB GLU A 23 -1.654 -5.921 9.327 1.00 0.00 C ATOM 325 CG GLU A 23 -2.896 -6.584 9.909 1.00 0.00 C ATOM 326 CD GLU A 23 -3.382 -5.831 11.133 1.00 0.00 C ATOM 327 OE1 GLU A 23 -2.787 -6.082 12.200 1.00 0.00 O ATOM 328 OE2 GLU A 23 -4.330 -5.020 11.080 1.00 0.00 O1- ATOM 0 H GLU A 23 -2.993 -5.775 7.445 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.330 -3.808 9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.231 -6.579 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.909 -5.824 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.685 -6.614 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.672 -7.617 10.176 1.00 0.00 H new ATOM 335 N GLY A 24 -0.090 -3.758 7.140 1.00 0.00 N ATOM 336 CA GLY A 24 0.904 -2.853 6.615 1.00 0.00 C ATOM 337 C GLY A 24 0.540 -1.370 6.570 1.00 0.00 C ATOM 338 O GLY A 24 1.296 -0.578 6.022 1.00 0.00 O ATOM 0 H GLY A 24 -0.414 -4.403 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.809 -2.961 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.151 -3.172 5.602 1.00 0.00 H new ATOM 342 N LEU A 25 -0.589 -0.981 7.168 1.00 0.00 N ATOM 343 CA LEU A 25 -0.890 0.377 7.577 1.00 0.00 C ATOM 344 C LEU A 25 -0.846 0.479 9.102 1.00 0.00 C ATOM 345 O LEU A 25 -1.035 1.592 9.577 1.00 0.00 O ATOM 346 CB LEU A 25 -2.251 0.772 7.001 1.00 0.00 C ATOM 347 CG LEU A 25 -2.336 0.689 5.479 1.00 0.00 C ATOM 348 CD1 LEU A 25 -3.777 0.939 5.065 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.551 1.829 4.831 1.00 0.00 C ATOM 0 H LEU A 25 -1.342 -1.634 7.385 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.146 1.074 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.016 0.126 7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.482 1.791 7.311 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.953 -0.285 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.858 0.884 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.421 0.184 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.086 1.928 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.625 1.751 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.963 2.785 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.504 1.766 5.129 1.00 0.00 H new ATOM 361 N VAL A 26 -0.373 -0.509 9.862 1.00 0.00 N ATOM 362 CA VAL A 26 -0.444 -0.451 11.304 1.00 0.00 C ATOM 363 C VAL A 26 0.817 -0.971 11.990 1.00 0.00 C ATOM 364 O VAL A 26 1.275 -0.360 12.958 1.00 0.00 O ATOM 365 CB VAL A 26 -1.608 -1.274 11.852 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.675 -1.298 13.375 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.914 -0.728 11.298 1.00 0.00 C ATOM 0 H VAL A 26 0.062 -1.355 9.494 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.574 0.609 11.523 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.444 -2.303 11.531 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.526 -1.901 13.692 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.756 -1.729 13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.791 -0.281 13.750 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.747 -1.313 11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.030 0.313 11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.903 -0.792 10.210 1.00 0.00 H new ATOM 377 N LYS A 27 1.550 -1.919 11.405 1.00 0.00 N ATOM 378 CA LYS A 27 2.843 -2.332 11.910 1.00 0.00 C ATOM 379 C LYS A 27 3.537 -3.121 10.804 1.00 0.00 C ATOM 380 O LYS A 27 2.912 -3.895 10.086 1.00 0.00 O ATOM 381 CB LYS A 27 2.656 -3.191 13.159 1.00 0.00 C ATOM 382 CG LYS A 27 3.981 -3.198 13.908 1.00 0.00 C ATOM 383 CD LYS A 27 3.911 -3.604 15.380 1.00 0.00 C ATOM 384 CE LYS A 27 3.032 -2.637 16.173 1.00 0.00 C ATOM 385 NZ LYS A 27 2.919 -2.979 17.596 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.256 -2.418 10.566 1.00 0.00 H new ATOM 0 HA LYS A 27 3.451 -1.471 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.862 -2.787 13.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.363 -4.205 12.887 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.663 -3.877 13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.417 -2.201 13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.513 -4.615 15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.915 -3.621 15.805 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.439 -1.630 16.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.035 -2.619 15.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.310 -2.284 18.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.503 -3.927 17.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.863 -2.969 18.032 1.00 0.00 H new ATOM 399 N VAL A 28 4.829 -2.813 10.698 1.00 0.00 N ATOM 400 CA VAL A 28 5.701 -3.333 9.663 1.00 0.00 C ATOM 401 C VAL A 28 6.991 -3.837 10.286 1.00 0.00 C ATOM 402 O VAL A 28 7.521 -3.142 11.152 1.00 0.00 O ATOM 403 CB VAL A 28 5.999 -2.255 8.613 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.668 -2.928 7.422 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.826 -1.468 8.025 1.00 0.00 C ATOM 0 H VAL A 28 5.301 -2.182 11.345 1.00 0.00 H new ATOM 0 HA VAL A 28 5.199 -4.162 9.164 1.00 0.00 H new ATOM 0 HB VAL A 28 6.598 -1.531 9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.891 -2.181 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.594 -3.403 7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.999 -3.682 7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.200 -0.746 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.138 -2.155 7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.304 -0.942 8.824 1.00 0.00 H new ATOM 415 N PHE A 29 7.547 -4.992 9.927 1.00 0.00 N ATOM 416 CA PHE A 29 8.564 -5.658 10.718 1.00 0.00 C ATOM 417 C PHE A 29 9.803 -6.011 9.902 1.00 0.00 C ATOM 418 O PHE A 29 9.877 -5.704 8.712 1.00 0.00 O ATOM 419 CB PHE A 29 7.945 -6.903 11.347 1.00 0.00 C ATOM 420 CG PHE A 29 6.705 -6.723 12.178 1.00 0.00 C ATOM 421 CD1 PHE A 29 6.892 -6.491 13.543 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.435 -6.726 11.575 1.00 0.00 C ATOM 423 CE1 PHE A 29 5.734 -6.487 14.342 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.315 -6.743 12.408 1.00 0.00 C ATOM 425 CZ PHE A 29 4.472 -6.723 13.796 1.00 0.00 C ATOM 0 H PHE A 29 7.299 -5.491 9.072 1.00 0.00 H new ATOM 0 HA PHE A 29 8.906 -4.974 11.495 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.713 -7.604 10.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.703 -7.375 11.973 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.873 -6.324 13.962 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.329 -6.715 10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.824 -6.297 15.401 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.325 -6.772 11.978 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.622 -6.889 14.442 1.00 0.00 H new ATOM 435 N ASP A 30 10.781 -6.761 10.414 1.00 0.00 N ATOM 436 CA ASP A 30 11.962 -7.169 9.683 1.00 0.00 C ATOM 437 C ASP A 30 11.840 -8.471 8.887 1.00 0.00 C ATOM 438 O ASP A 30 12.010 -8.420 7.674 1.00 0.00 O ATOM 439 CB ASP A 30 13.117 -7.138 10.689 1.00 0.00 C ATOM 440 CG ASP A 30 14.478 -7.411 10.047 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.412 -7.582 10.866 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.599 -7.396 8.808 1.00 0.00 O1- ATOM 0 H ASP A 30 10.764 -7.105 11.374 1.00 0.00 H new ATOM 0 HA ASP A 30 12.142 -6.471 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.141 -6.163 11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.934 -7.879 11.467 1.00 0.00 H new ATOM 447 N ASN A 31 11.448 -9.567 9.546 1.00 0.00 N ATOM 448 CA ASN A 31 11.168 -10.854 8.949 1.00 0.00 C ATOM 449 C ASN A 31 9.696 -11.149 8.676 1.00 0.00 C ATOM 450 O ASN A 31 9.388 -12.255 8.239 1.00 0.00 O ATOM 451 CB ASN A 31 11.609 -11.951 9.911 1.00 0.00 C ATOM 452 CG ASN A 31 13.113 -11.895 10.138 1.00 0.00 C ATOM 453 OD1 ASN A 31 13.875 -12.296 9.264 1.00 0.00 O ATOM 454 ND2 ASN A 31 13.521 -11.309 11.267 1.00 0.00 N ATOM 0 H ASN A 31 11.315 -9.569 10.557 1.00 0.00 H new ATOM 0 HA ASN A 31 11.698 -10.829 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.088 -11.839 10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.333 -12.926 9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.517 -11.174 11.440 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.837 -10.997 11.956 1.00 0.00 H new ATOM 461 N ALA A 32 8.819 -10.164 8.842 1.00 0.00 N ATOM 462 CA ALA A 32 7.402 -10.228 8.519 1.00 0.00 C ATOM 463 C ALA A 32 6.989 -9.090 7.606 1.00 0.00 C ATOM 464 O ALA A 32 6.420 -8.085 8.041 1.00 0.00 O ATOM 465 CB ALA A 32 6.674 -10.432 9.851 1.00 0.00 C ATOM 0 H ALA A 32 9.092 -9.258 9.223 1.00 0.00 H new ATOM 0 HA ALA A 32 7.113 -11.073 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.600 -10.488 9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.014 -11.358 10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.889 -9.595 10.515 1.00 0.00 H new ATOM 471 N PRO A 33 7.249 -9.249 6.310 1.00 0.00 N ATOM 472 CA PRO A 33 6.823 -8.259 5.347 1.00 0.00 C ATOM 473 C PRO A 33 5.313 -8.112 5.326 1.00 0.00 C ATOM 474 O PRO A 33 4.547 -9.076 5.331 1.00 0.00 O ATOM 475 CB PRO A 33 7.464 -8.641 4.026 1.00 0.00 C ATOM 476 CG PRO A 33 8.426 -9.773 4.388 1.00 0.00 C ATOM 477 CD PRO A 33 7.884 -10.388 5.672 1.00 0.00 C ATOM 0 HA PRO A 33 7.156 -7.254 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.718 -8.969 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.992 -7.797 3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.475 -10.514 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.438 -9.394 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.175 -11.191 5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.678 -10.810 6.288 1.00 0.00 H new ATOM 485 N ALA A 34 4.913 -6.854 5.555 1.00 0.00 N ATOM 486 CA ALA A 34 3.568 -6.471 5.909 1.00 0.00 C ATOM 487 C ALA A 34 2.834 -5.860 4.727 1.00 0.00 C ATOM 488 O ALA A 34 3.419 -5.258 3.822 1.00 0.00 O ATOM 489 CB ALA A 34 3.656 -5.461 7.058 1.00 0.00 C ATOM 0 H ALA A 34 5.549 -6.059 5.493 1.00 0.00 H new ATOM 0 HA ALA A 34 3.006 -7.354 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.652 -5.152 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.155 -5.922 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.224 -4.589 6.733 1.00 0.00 H new ATOM 495 N GLU A 35 1.506 -6.004 4.679 1.00 0.00 N ATOM 496 CA GLU A 35 0.644 -5.837 3.532 1.00 0.00 C ATOM 497 C GLU A 35 -0.553 -4.933 3.769 1.00 0.00 C ATOM 498 O GLU A 35 -1.114 -4.816 4.853 1.00 0.00 O ATOM 499 CB GLU A 35 0.102 -7.148 2.955 1.00 0.00 C ATOM 500 CG GLU A 35 1.227 -8.000 2.379 1.00 0.00 C ATOM 501 CD GLU A 35 0.700 -9.380 2.024 1.00 0.00 C ATOM 502 OE1 GLU A 35 -0.164 -9.507 1.133 1.00 0.00 O ATOM 503 OE2 GLU A 35 1.285 -10.410 2.434 1.00 0.00 O1- ATOM 0 H GLU A 35 0.977 -6.260 5.512 1.00 0.00 H new ATOM 0 HA GLU A 35 1.322 -5.369 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.418 -7.705 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.630 -6.931 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.641 -7.520 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.037 -8.086 3.103 1.00 0.00 H new ATOM 510 N PHE A 36 -1.035 -4.330 2.670 1.00 0.00 N ATOM 511 CA PHE A 36 -2.263 -3.567 2.683 1.00 0.00 C ATOM 512 C PHE A 36 -2.779 -3.316 1.272 1.00 0.00 C ATOM 513 O PHE A 36 -2.110 -3.594 0.276 1.00 0.00 O ATOM 514 CB PHE A 36 -2.205 -2.263 3.471 1.00 0.00 C ATOM 515 CG PHE A 36 -1.384 -1.233 2.734 1.00 0.00 C ATOM 516 CD1 PHE A 36 -2.050 -0.274 1.951 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.002 -1.166 2.910 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.316 0.751 1.328 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.733 -0.231 2.162 1.00 0.00 C ATOM 520 CZ PHE A 36 0.080 0.755 1.407 1.00 0.00 C ATOM 0 H PHE A 36 -0.577 -4.366 1.759 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.969 -4.200 3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.214 -1.884 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.772 -2.445 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.122 -0.324 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.500 -1.822 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.830 1.534 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.812 -0.271 2.167 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.652 1.512 0.890 1.00 0.00 H new ATOM 530 N THR A 37 -4.083 -3.030 1.228 1.00 0.00 N ATOM 531 CA THR A 37 -4.910 -3.278 0.058 1.00 0.00 C ATOM 532 C THR A 37 -5.702 -2.031 -0.310 1.00 0.00 C ATOM 533 O THR A 37 -6.505 -1.607 0.521 1.00 0.00 O ATOM 534 CB THR A 37 -5.783 -4.509 0.226 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.053 -5.587 0.763 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.470 -5.025 -1.035 1.00 0.00 C ATOM 0 H THR A 37 -4.591 -2.618 2.010 1.00 0.00 H new ATOM 0 HA THR A 37 -4.253 -3.501 -0.783 1.00 0.00 H new ATOM 0 HB THR A 37 -6.563 -4.154 0.900 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.642 -6.364 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.065 -5.905 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.120 -4.249 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.717 -5.290 -1.777 1.00 0.00 H new ATOM 544 N ILE A 38 -5.374 -1.507 -1.491 1.00 0.00 N ATOM 545 CA ILE A 38 -5.921 -0.349 -2.179 1.00 0.00 C ATOM 546 C ILE A 38 -7.193 -0.759 -2.902 1.00 0.00 C ATOM 547 O ILE A 38 -7.207 -1.371 -3.965 1.00 0.00 O ATOM 548 CB ILE A 38 -4.969 0.345 -3.145 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.663 0.673 -2.423 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.632 1.629 -3.647 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.688 1.544 -3.217 1.00 0.00 C ATOM 0 H ILE A 38 -4.634 -1.936 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.120 0.393 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.748 -0.306 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.900 1.179 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.164 -0.261 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.962 2.137 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.563 1.382 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.844 2.283 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.792 1.722 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.415 1.035 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.161 2.497 -3.454 1.00 0.00 H new ATOM 563 N PHE A 39 -8.365 -0.489 -2.307 1.00 0.00 N ATOM 564 CA PHE A 39 -9.667 -0.637 -2.929 1.00 0.00 C ATOM 565 C PHE A 39 -10.002 0.487 -3.903 1.00 0.00 C ATOM 566 O PHE A 39 -10.332 1.590 -3.485 1.00 0.00 O ATOM 567 CB PHE A 39 -10.667 -1.039 -1.854 1.00 0.00 C ATOM 568 CG PHE A 39 -10.797 -0.091 -0.684 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.786 0.901 -0.697 1.00 0.00 C ATOM 570 CD2 PHE A 39 -10.028 -0.203 0.478 1.00 0.00 C ATOM 571 CE1 PHE A 39 -12.037 1.716 0.404 1.00 0.00 C ATOM 572 CE2 PHE A 39 -10.246 0.651 1.558 1.00 0.00 C ATOM 573 CZ PHE A 39 -11.297 1.576 1.579 1.00 0.00 C ATOM 0 H PHE A 39 -8.422 -0.151 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.697 -1.462 -3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.647 -1.147 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.385 -2.020 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.374 1.039 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.258 -0.958 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.813 2.465 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.581 0.597 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.524 2.154 2.463 1.00 0.00 H new ATOM 583 N ALA A 40 -9.933 0.204 -5.210 1.00 0.00 N ATOM 584 CA ALA A 40 -10.143 1.113 -6.318 1.00 0.00 C ATOM 585 C ALA A 40 -11.569 1.232 -6.845 1.00 0.00 C ATOM 586 O ALA A 40 -12.157 0.196 -7.148 1.00 0.00 O ATOM 587 CB ALA A 40 -9.046 0.835 -7.332 1.00 0.00 C ATOM 0 H ALA A 40 -9.712 -0.738 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.047 2.141 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.165 1.500 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.073 1.006 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.112 -0.201 -7.665 1.00 0.00 H new ATOM 593 N VAL A 41 -12.026 2.465 -7.071 1.00 0.00 N ATOM 594 CA VAL A 41 -13.139 2.833 -7.912 1.00 0.00 C ATOM 595 C VAL A 41 -12.670 3.999 -8.772 1.00 0.00 C ATOM 596 O VAL A 41 -11.858 4.839 -8.406 1.00 0.00 O ATOM 597 CB VAL A 41 -14.365 3.280 -7.124 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.652 3.625 -7.888 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.700 2.379 -5.944 1.00 0.00 C ATOM 0 H VAL A 41 -11.591 3.279 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.438 1.960 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.995 4.244 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.426 3.924 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.456 4.445 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.989 2.752 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.584 2.762 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.897 1.369 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.859 2.360 -5.250 1.00 0.00 H new ATOM 609 N ASP A 42 -13.106 4.060 -10.036 1.00 0.00 N ATOM 610 CA ASP A 42 -13.066 5.267 -10.826 1.00 0.00 C ATOM 611 C ASP A 42 -13.869 6.434 -10.243 1.00 0.00 C ATOM 612 O ASP A 42 -13.349 7.300 -9.549 1.00 0.00 O ATOM 613 CB ASP A 42 -13.511 4.981 -12.251 1.00 0.00 C ATOM 614 CG ASP A 42 -14.624 3.949 -12.390 1.00 0.00 C ATOM 615 OD1 ASP A 42 -14.343 2.739 -12.551 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.763 4.418 -12.205 1.00 0.00 O1- ATOM 0 H ASP A 42 -13.497 3.259 -10.531 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.025 5.591 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.845 5.914 -12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.648 4.640 -12.822 1.00 0.00 H new ATOM 621 N THR A 43 -15.177 6.394 -10.489 1.00 0.00 N ATOM 622 CA THR A 43 -16.167 7.423 -10.259 1.00 0.00 C ATOM 623 C THR A 43 -17.574 6.845 -10.240 1.00 0.00 C ATOM 624 O THR A 43 -18.337 7.365 -9.424 1.00 0.00 O ATOM 625 CB THR A 43 -16.161 8.504 -11.335 1.00 0.00 C ATOM 626 OG1 THR A 43 -16.154 7.850 -12.584 1.00 0.00 O ATOM 627 CG2 THR A 43 -15.014 9.494 -11.307 1.00 0.00 C ATOM 0 H THR A 43 -15.601 5.559 -10.892 1.00 0.00 H new ATOM 0 HA THR A 43 -15.899 7.856 -9.295 1.00 0.00 H new ATOM 0 HB THR A 43 -17.047 9.111 -11.146 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.152 8.517 -13.302 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.129 10.207 -12.123 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.016 10.027 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.070 8.961 -11.422 1.00 0.00 H new ATOM 635 N LYS A 44 -17.964 5.909 -11.107 1.00 0.00 N ATOM 636 CA LYS A 44 -19.361 5.586 -11.226 1.00 0.00 C ATOM 637 C LYS A 44 -19.801 4.461 -10.293 1.00 0.00 C ATOM 638 O LYS A 44 -20.410 3.485 -10.715 1.00 0.00 O ATOM 639 CB LYS A 44 -19.679 5.243 -12.680 1.00 0.00 C ATOM 640 CG LYS A 44 -19.542 6.525 -13.507 1.00 0.00 C ATOM 641 CD LYS A 44 -19.912 6.279 -14.960 1.00 0.00 C ATOM 642 CE LYS A 44 -21.398 6.170 -15.282 1.00 0.00 C ATOM 643 NZ LYS A 44 -22.157 7.410 -15.048 1.00 0.00 N1+ ATOM 0 H LYS A 44 -17.340 5.381 -11.717 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.927 6.465 -10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.998 4.476 -13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.688 4.840 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.185 7.301 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.518 6.893 -13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.493 7.088 -15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.426 5.358 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.512 5.879 -16.326 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.832 5.372 -14.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.154 7.261 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -22.094 7.671 -14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.760 8.175 -15.630 1.00 0.00 H new ATOM 657 N GLY A 45 -19.469 4.648 -9.007 1.00 0.00 N ATOM 658 CA GLY A 45 -19.870 3.780 -7.914 1.00 0.00 C ATOM 659 C GLY A 45 -19.188 2.417 -7.865 1.00 0.00 C ATOM 660 O GLY A 45 -18.394 2.195 -6.950 1.00 0.00 O ATOM 0 H GLY A 45 -18.896 5.434 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.675 4.297 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.947 3.624 -7.975 1.00 0.00 H new ATOM 664 N VAL A 46 -19.467 1.586 -8.865 1.00 0.00 N ATOM 665 CA VAL A 46 -18.864 0.267 -8.972 1.00 0.00 C ATOM 666 C VAL A 46 -17.340 0.335 -8.980 1.00 0.00 C ATOM 667 O VAL A 46 -16.801 1.055 -9.819 1.00 0.00 O ATOM 668 CB VAL A 46 -19.471 -0.463 -10.164 1.00 0.00 C ATOM 669 CG1 VAL A 46 -18.789 -1.794 -10.459 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.965 -0.731 -9.969 1.00 0.00 C ATOM 0 H VAL A 46 -20.115 1.809 -9.620 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.095 -0.321 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.317 0.208 -11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.267 -2.265 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.735 -1.622 -10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.877 -2.448 -9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.358 -1.253 -10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.111 -1.347 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.491 0.215 -9.845 1.00 0.00 H new ATOM 680 N ALA A 47 -16.645 -0.437 -8.151 1.00 0.00 N ATOM 681 CA ALA A 47 -15.246 -0.805 -8.167 1.00 0.00 C ATOM 682 C ALA A 47 -14.629 -1.034 -9.535 1.00 0.00 C ATOM 683 O ALA A 47 -15.283 -1.341 -10.524 1.00 0.00 O ATOM 684 CB ALA A 47 -15.173 -1.991 -7.208 1.00 0.00 C ATOM 0 H ALA A 47 -17.115 -0.869 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.615 0.023 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.145 -2.348 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.507 -1.680 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.815 -2.793 -7.572 1.00 0.00 H new ATOM 690 N ARG A 48 -13.289 -1.058 -9.557 1.00 0.00 N ATOM 691 CA ARG A 48 -12.592 -1.371 -10.784 1.00 0.00 C ATOM 692 C ARG A 48 -12.793 -2.793 -11.281 1.00 0.00 C ATOM 693 O ARG A 48 -12.156 -3.698 -10.765 1.00 0.00 O ATOM 694 CB ARG A 48 -11.134 -0.903 -10.749 1.00 0.00 C ATOM 695 CG ARG A 48 -10.804 0.570 -10.563 1.00 0.00 C ATOM 696 CD ARG A 48 -11.357 1.421 -11.698 1.00 0.00 C ATOM 697 NE ARG A 48 -10.537 1.305 -12.903 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.770 0.539 -13.978 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.928 -0.040 -14.294 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.803 0.146 -14.808 1.00 0.00 N ATOM 0 H ARG A 48 -12.690 -0.868 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.074 -0.780 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.640 -1.448 -9.945 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.670 -1.222 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.214 0.918 -9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.723 0.696 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.379 1.113 -11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.400 2.464 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.690 1.873 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.741 0.083 -13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.001 -0.606 -15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.838 0.428 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.028 -0.437 -15.614 1.00 0.00 H new ATOM 714 N THR A 49 -13.668 -2.937 -12.288 1.00 0.00 N ATOM 715 CA THR A 49 -14.128 -4.078 -13.053 1.00 0.00 C ATOM 716 C THR A 49 -13.175 -4.535 -14.154 1.00 0.00 C ATOM 717 O THR A 49 -13.494 -5.482 -14.871 1.00 0.00 O ATOM 718 CB THR A 49 -15.514 -3.966 -13.680 1.00 0.00 C ATOM 719 OG1 THR A 49 -15.490 -2.904 -14.610 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.617 -3.801 -12.647 1.00 0.00 C ATOM 0 H THR A 49 -14.141 -2.101 -12.630 1.00 0.00 H new ATOM 0 HA THR A 49 -14.172 -4.819 -12.255 1.00 0.00 H new ATOM 0 HB THR A 49 -15.751 -4.899 -14.192 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.372 -2.815 -15.027 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.580 -3.727 -13.152 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.623 -4.663 -11.980 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.440 -2.895 -12.067 1.00 0.00 H new ATOM 728 N ASP A 50 -11.999 -3.901 -14.284 1.00 0.00 N ATOM 729 CA ASP A 50 -10.768 -4.340 -14.910 1.00 0.00 C ATOM 730 C ASP A 50 -9.525 -3.638 -14.377 1.00 0.00 C ATOM 731 O ASP A 50 -9.692 -2.880 -13.423 1.00 0.00 O ATOM 732 CB ASP A 50 -10.856 -4.154 -16.423 1.00 0.00 C ATOM 733 CG ASP A 50 -11.386 -2.801 -16.885 1.00 0.00 C ATOM 734 OD1 ASP A 50 -12.202 -2.796 -17.825 1.00 0.00 O ATOM 735 OD2 ASP A 50 -11.074 -1.820 -16.175 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.889 -2.961 -13.905 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.659 -5.396 -14.661 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.863 -4.301 -16.849 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.497 -4.935 -16.832 1.00 0.00 H new ATOM 740 N GLY A 51 -8.331 -3.847 -14.913 1.00 0.00 N ATOM 741 CA GLY A 51 -7.177 -3.918 -14.035 1.00 0.00 C ATOM 742 C GLY A 51 -5.843 -3.547 -14.664 1.00 0.00 C ATOM 743 O GLY A 51 -5.713 -2.946 -15.733 1.00 0.00 O ATOM 0 H GLY A 51 -8.141 -3.966 -15.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.351 -3.260 -13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.103 -4.933 -13.644 1.00 0.00 H new ATOM 747 N GLY A 52 -4.759 -3.676 -13.894 1.00 0.00 N ATOM 748 CA GLY A 52 -3.447 -3.182 -14.271 1.00 0.00 C ATOM 749 C GLY A 52 -3.374 -1.669 -14.294 1.00 0.00 C ATOM 750 O GLY A 52 -2.354 -1.185 -14.805 1.00 0.00 O ATOM 0 H GLY A 52 -4.776 -4.133 -12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.704 -3.566 -13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.187 -3.569 -15.256 1.00 0.00 H new ATOM 754 N ASP A 53 -4.296 -0.874 -13.744 1.00 0.00 N ATOM 755 CA ASP A 53 -4.203 0.567 -13.677 1.00 0.00 C ATOM 756 C ASP A 53 -2.958 0.894 -12.872 1.00 0.00 C ATOM 757 O ASP A 53 -2.841 0.383 -11.758 1.00 0.00 O ATOM 758 CB ASP A 53 -5.435 1.152 -12.995 1.00 0.00 C ATOM 759 CG ASP A 53 -6.759 0.826 -13.663 1.00 0.00 C ATOM 760 OD1 ASP A 53 -6.743 0.748 -14.916 1.00 0.00 O ATOM 761 OD2 ASP A 53 -7.801 0.877 -12.986 1.00 0.00 O1- ATOM 0 H ASP A 53 -5.151 -1.238 -13.323 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.147 0.995 -14.678 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.467 0.792 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.326 2.236 -12.950 1.00 0.00 H new ATOM 766 N PRO A 54 -1.974 1.661 -13.352 1.00 0.00 N ATOM 767 CA PRO A 54 -0.685 1.620 -12.693 1.00 0.00 C ATOM 768 C PRO A 54 -0.524 2.512 -11.472 1.00 0.00 C ATOM 769 O PRO A 54 -1.081 3.604 -11.365 1.00 0.00 O ATOM 770 CB PRO A 54 0.288 1.927 -13.837 1.00 0.00 C ATOM 771 CG PRO A 54 -0.507 2.801 -14.792 1.00 0.00 C ATOM 772 CD PRO A 54 -1.916 2.236 -14.688 1.00 0.00 C ATOM 0 HA PRO A 54 -0.508 0.654 -12.221 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.177 2.443 -13.474 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.627 1.013 -14.325 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.472 3.851 -14.501 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.122 2.739 -15.810 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.668 3.014 -14.819 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.100 1.483 -15.454 1.00 0.00 H new ATOM 780 N PHE A 55 0.395 2.050 -10.620 1.00 0.00 N ATOM 781 CA PHE A 55 0.401 2.426 -9.217 1.00 0.00 C ATOM 782 C PHE A 55 1.829 2.584 -8.724 1.00 0.00 C ATOM 783 O PHE A 55 2.836 2.112 -9.246 1.00 0.00 O ATOM 784 CB PHE A 55 -0.397 1.453 -8.352 1.00 0.00 C ATOM 785 CG PHE A 55 -1.774 1.890 -7.940 1.00 0.00 C ATOM 786 CD1 PHE A 55 -1.968 2.787 -6.877 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.885 1.366 -8.601 1.00 0.00 C ATOM 788 CE1 PHE A 55 -3.247 3.152 -6.431 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.158 1.818 -8.250 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.333 2.687 -7.171 1.00 0.00 C ATOM 0 H PHE A 55 1.145 1.412 -10.886 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.102 3.389 -9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.487 0.511 -8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.179 1.248 -7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.104 3.210 -6.387 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.762 0.621 -9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.384 3.766 -5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.016 1.492 -8.819 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.330 3.005 -6.904 1.00 0.00 H new ATOM 800 N GLU A 56 1.971 3.376 -7.659 1.00 0.00 N ATOM 801 CA GLU A 56 3.148 3.363 -6.815 1.00 0.00 C ATOM 802 C GLU A 56 2.751 3.599 -5.365 1.00 0.00 C ATOM 803 O GLU A 56 1.739 4.196 -5.012 1.00 0.00 O ATOM 804 CB GLU A 56 4.227 4.300 -7.364 1.00 0.00 C ATOM 805 CG GLU A 56 5.545 4.511 -6.633 1.00 0.00 C ATOM 806 CD GLU A 56 6.572 5.035 -7.627 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.560 6.202 -8.077 1.00 0.00 O ATOM 808 OE2 GLU A 56 7.343 4.185 -8.133 1.00 0.00 O1- ATOM 0 H GLU A 56 1.262 4.047 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 56 3.616 2.379 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.473 3.947 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.767 5.282 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.415 5.219 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.888 3.575 -6.193 1.00 0.00 H new ATOM 815 N VAL A 57 3.579 3.081 -4.449 1.00 0.00 N ATOM 816 CA VAL A 57 3.619 3.283 -3.024 1.00 0.00 C ATOM 817 C VAL A 57 5.092 3.523 -2.726 1.00 0.00 C ATOM 818 O VAL A 57 5.841 2.541 -2.722 1.00 0.00 O ATOM 819 CB VAL A 57 3.049 2.126 -2.208 1.00 0.00 C ATOM 820 CG1 VAL A 57 3.191 2.476 -0.735 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.573 1.942 -2.575 1.00 0.00 C ATOM 0 H VAL A 57 4.316 2.438 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 57 2.981 4.117 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 57 3.580 1.197 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.790 1.664 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.244 2.622 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.640 3.393 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.155 1.117 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.025 2.857 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.487 1.720 -3.639 1.00 0.00 H new ATOM 831 N ALA A 58 5.514 4.742 -2.387 1.00 0.00 N ATOM 832 CA ALA A 58 6.873 5.135 -2.075 1.00 0.00 C ATOM 833 C ALA A 58 7.017 5.628 -0.641 1.00 0.00 C ATOM 834 O ALA A 58 6.104 6.284 -0.124 1.00 0.00 O ATOM 835 CB ALA A 58 7.215 6.253 -3.049 1.00 0.00 C ATOM 0 H ALA A 58 4.866 5.527 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 58 7.544 4.281 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.233 6.596 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.135 5.882 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.522 7.082 -2.909 1.00 0.00 H new ATOM 841 N ILE A 59 8.057 5.141 0.035 1.00 0.00 N ATOM 842 CA ILE A 59 8.266 5.249 1.470 1.00 0.00 C ATOM 843 C ILE A 59 9.592 5.894 1.855 1.00 0.00 C ATOM 844 O ILE A 59 10.616 5.754 1.176 1.00 0.00 O ATOM 845 CB ILE A 59 7.935 3.951 2.200 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.602 3.312 1.819 1.00 0.00 C ATOM 847 CG2 ILE A 59 8.141 3.954 3.712 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.673 2.189 0.792 1.00 0.00 C ATOM 0 H ILE A 59 8.811 4.636 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 59 7.535 5.969 1.837 1.00 0.00 H new ATOM 0 HB ILE A 59 8.716 3.300 1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.136 2.922 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.945 4.091 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.873 2.978 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.187 4.165 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.511 4.720 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.670 1.810 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.103 2.570 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.297 1.383 1.177 1.00 0.00 H new ATOM 860 N ASN A 60 9.559 6.652 2.948 1.00 0.00 N ATOM 861 CA ASN A 60 10.696 7.285 3.581 1.00 0.00 C ATOM 862 C ASN A 60 10.871 6.748 5.005 1.00 0.00 C ATOM 863 O ASN A 60 9.825 6.655 5.640 1.00 0.00 O ATOM 864 CB ASN A 60 10.455 8.794 3.550 1.00 0.00 C ATOM 865 CG ASN A 60 10.733 9.311 2.147 1.00 0.00 C ATOM 866 OD1 ASN A 60 11.849 9.565 1.703 1.00 0.00 O ATOM 867 ND2 ASN A 60 9.735 9.419 1.252 1.00 0.00 N ATOM 0 H ASN A 60 8.686 6.847 3.437 1.00 0.00 H new ATOM 0 HA ASN A 60 11.623 7.062 3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.427 9.017 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.103 9.294 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.939 9.694 0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.774 9.226 1.534 1.00 0.00 H new ATOM 874 N GLY A 61 12.082 6.498 5.515 1.00 0.00 N ATOM 875 CA GLY A 61 12.309 5.915 6.819 1.00 0.00 C ATOM 876 C GLY A 61 13.579 6.460 7.467 1.00 0.00 C ATOM 877 O GLY A 61 14.153 7.451 7.012 1.00 0.00 O ATOM 0 H GLY A 61 12.945 6.705 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.454 6.121 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.384 4.832 6.725 1.00 0.00 H new ATOM 881 N PRO A 62 14.004 5.840 8.570 1.00 0.00 N ATOM 882 CA PRO A 62 15.191 6.299 9.266 1.00 0.00 C ATOM 883 C PRO A 62 16.465 6.273 8.444 1.00 0.00 C ATOM 884 O PRO A 62 16.851 5.269 7.845 1.00 0.00 O ATOM 885 CB PRO A 62 15.195 5.578 10.611 1.00 0.00 C ATOM 886 CG PRO A 62 14.244 4.392 10.461 1.00 0.00 C ATOM 887 CD PRO A 62 13.373 4.724 9.253 1.00 0.00 C ATOM 0 HA PRO A 62 15.158 7.372 9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.199 5.242 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.866 6.242 11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.794 3.464 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.639 4.258 11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.289 3.863 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.362 4.985 9.566 1.00 0.00 H new ATOM 933 N VAL A 66 15.058 4.760 2.102 1.00 0.00 N ATOM 934 CA VAL A 66 14.050 5.195 1.163 1.00 0.00 C ATOM 935 C VAL A 66 13.763 3.983 0.286 1.00 0.00 C ATOM 936 O VAL A 66 14.627 3.454 -0.403 1.00 0.00 O ATOM 937 CB VAL A 66 14.581 6.320 0.272 1.00 0.00 C ATOM 938 CG1 VAL A 66 13.521 6.841 -0.694 1.00 0.00 C ATOM 939 CG2 VAL A 66 15.012 7.472 1.168 1.00 0.00 C ATOM 0 HA VAL A 66 13.169 5.567 1.686 1.00 0.00 H new ATOM 0 HB VAL A 66 15.409 5.923 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.945 7.638 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.186 6.029 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.673 7.229 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.395 8.287 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.157 7.823 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.793 7.132 1.847 1.00 0.00 H new ATOM 949 N VAL A 67 12.466 3.668 0.232 1.00 0.00 N ATOM 950 CA VAL A 67 11.946 2.403 -0.267 1.00 0.00 C ATOM 951 C VAL A 67 10.793 2.739 -1.206 1.00 0.00 C ATOM 952 O VAL A 67 9.955 3.597 -0.943 1.00 0.00 O ATOM 953 CB VAL A 67 11.419 1.563 0.890 1.00 0.00 C ATOM 954 CG1 VAL A 67 11.106 0.102 0.632 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.296 1.528 2.150 1.00 0.00 C ATOM 0 H VAL A 67 11.734 4.306 0.544 1.00 0.00 H new ATOM 0 HA VAL A 67 12.727 1.839 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 67 10.497 2.127 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.741 -0.360 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.342 0.025 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.009 -0.411 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.823 0.901 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.275 1.119 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.414 2.539 2.540 1.00 0.00 H new ATOM 965 N ASP A 68 10.554 1.885 -2.208 1.00 0.00 N ATOM 966 CA ASP A 68 9.220 1.685 -2.710 1.00 0.00 C ATOM 967 C ASP A 68 8.731 0.254 -2.527 1.00 0.00 C ATOM 968 O ASP A 68 9.494 -0.671 -2.772 1.00 0.00 O ATOM 969 CB ASP A 68 9.013 2.279 -4.099 1.00 0.00 C ATOM 970 CG ASP A 68 9.967 1.873 -5.217 1.00 0.00 C ATOM 971 OD1 ASP A 68 10.063 0.668 -5.528 1.00 0.00 O ATOM 972 OD2 ASP A 68 10.638 2.728 -5.831 1.00 0.00 O1- ATOM 0 H ASP A 68 11.273 1.332 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 68 8.550 2.270 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.002 2.027 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.057 3.364 -4.005 1.00 0.00 H new ATOM 977 N ALA A 69 7.462 0.146 -2.114 1.00 0.00 N ATOM 978 CA ALA A 69 6.821 -1.103 -1.775 1.00 0.00 C ATOM 979 C ALA A 69 6.286 -1.830 -2.996 1.00 0.00 C ATOM 980 O ALA A 69 6.010 -1.207 -4.023 1.00 0.00 O ATOM 981 CB ALA A 69 5.668 -0.840 -0.800 1.00 0.00 C ATOM 0 H ALA A 69 6.848 0.954 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 69 7.576 -1.740 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.185 -1.783 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.056 -0.375 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.941 -0.175 -1.267 1.00 0.00 H new ATOM 987 N LYS A 70 6.058 -3.143 -2.924 1.00 0.00 N ATOM 988 CA LYS A 70 5.696 -3.901 -4.102 1.00 0.00 C ATOM 989 C LYS A 70 4.189 -3.966 -4.320 1.00 0.00 C ATOM 990 O LYS A 70 3.523 -4.656 -3.564 1.00 0.00 O ATOM 991 CB LYS A 70 6.280 -5.310 -4.029 1.00 0.00 C ATOM 992 CG LYS A 70 7.775 -5.347 -4.317 1.00 0.00 C ATOM 993 CD LYS A 70 8.157 -5.211 -5.792 1.00 0.00 C ATOM 994 CE LYS A 70 9.668 -5.263 -6.024 1.00 0.00 C ATOM 995 NZ LYS A 70 10.294 -4.051 -5.463 1.00 0.00 N1+ ATOM 0 H LYS A 70 6.119 -3.691 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 70 6.120 -3.376 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.096 -5.723 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.762 -5.950 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.257 -4.545 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.179 -6.286 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.680 -6.009 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.768 -4.269 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.088 -6.153 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.881 -5.335 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.278 -3.984 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.766 -3.211 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.280 -4.102 -4.424 1.00 0.00 H new ATOM 1009 N VAL A 71 3.663 -3.182 -5.261 1.00 0.00 N ATOM 1010 CA VAL A 71 2.262 -3.312 -5.627 1.00 0.00 C ATOM 1011 C VAL A 71 2.027 -4.596 -6.392 1.00 0.00 C ATOM 1012 O VAL A 71 2.785 -4.859 -7.327 1.00 0.00 O ATOM 1013 CB VAL A 71 1.728 -2.136 -6.441 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.241 -2.245 -6.786 1.00 0.00 C ATOM 1015 CG2 VAL A 71 1.900 -0.852 -5.639 1.00 0.00 C ATOM 0 H VAL A 71 4.178 -2.465 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 71 1.713 -3.325 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 71 2.296 -2.137 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.063 -1.373 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.069 -3.148 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.343 -2.292 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.520 -0.009 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.346 -0.930 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.957 -0.697 -5.423 1.00 0.00 H new ATOM 1025 N THR A 72 0.971 -5.351 -6.082 1.00 0.00 N ATOM 1026 CA THR A 72 0.420 -6.386 -6.930 1.00 0.00 C ATOM 1027 C THR A 72 -1.058 -6.159 -7.222 1.00 0.00 C ATOM 1028 O THR A 72 -1.807 -5.822 -6.320 1.00 0.00 O ATOM 1029 CB THR A 72 0.678 -7.795 -6.399 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.042 -8.108 -6.160 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.250 -8.883 -7.386 1.00 0.00 C ATOM 0 H THR A 72 0.466 -5.248 -5.202 1.00 0.00 H new ATOM 0 HA THR A 72 0.956 -6.312 -7.876 1.00 0.00 H new ATOM 0 HB THR A 72 0.103 -7.785 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.113 -9.025 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.456 -9.864 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.817 -8.792 -7.588 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.806 -8.769 -8.317 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.458 -6.380 -8.481 1.00 0.00 N ATOM 1040 CA ASP A 73 -2.863 -6.426 -8.848 1.00 0.00 C ATOM 1041 C ASP A 73 -3.507 -7.752 -8.468 1.00 0.00 C ATOM 1042 O ASP A 73 -3.089 -8.853 -8.830 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.059 -6.028 -10.304 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.461 -6.101 -10.879 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.456 -6.634 -10.339 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.602 -5.755 -12.078 1.00 0.00 O1- ATOM 0 H ASP A 73 -0.817 -6.530 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.399 -5.680 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.703 -5.005 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.415 -6.662 -10.913 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.541 -7.592 -7.639 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.287 -8.712 -7.104 1.00 0.00 C ATOM 1053 C ASN A 74 -6.259 -9.367 -8.080 1.00 0.00 C ATOM 1054 O ASN A 74 -6.881 -10.342 -7.645 1.00 0.00 O ATOM 1055 CB ASN A 74 -5.874 -8.311 -5.753 1.00 0.00 C ATOM 1056 CG ASN A 74 -4.898 -7.885 -4.670 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -3.725 -8.255 -4.661 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.348 -7.215 -3.608 1.00 0.00 N ATOM 0 H ASN A 74 -4.877 -6.681 -7.326 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.597 -9.538 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.573 -7.491 -5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.453 -9.153 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.725 -7.025 -2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.315 -6.893 -3.581 1.00 0.00 H new ATOM 1065 N ASN A 75 -6.529 -8.868 -9.283 1.00 0.00 N ATOM 1066 CA ASN A 75 -7.422 -9.365 -10.312 1.00 0.00 C ATOM 1067 C ASN A 75 -8.874 -9.473 -9.879 1.00 0.00 C ATOM 1068 O ASN A 75 -9.611 -10.392 -10.236 1.00 0.00 O ATOM 1069 CB ASN A 75 -6.721 -10.616 -10.836 1.00 0.00 C ATOM 1070 CG ASN A 75 -5.232 -10.489 -11.140 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -4.518 -11.482 -10.987 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -4.727 -9.346 -11.599 1.00 0.00 N ATOM 0 H ASN A 75 -6.073 -8.009 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.573 -8.670 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.852 -11.412 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.228 -10.934 -11.747 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.735 -9.283 -11.830 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.332 -8.533 -11.720 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.275 -8.659 -8.897 1.00 0.00 N ATOM 1080 CA ASP A 76 -10.554 -8.601 -8.222 1.00 0.00 C ATOM 1081 C ASP A 76 -11.082 -7.178 -8.072 1.00 0.00 C ATOM 1082 O ASP A 76 -12.148 -6.988 -7.506 1.00 0.00 O ATOM 1083 CB ASP A 76 -10.401 -9.254 -6.856 1.00 0.00 C ATOM 1084 CG ASP A 76 -9.396 -8.627 -5.905 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -8.982 -7.460 -6.087 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -9.178 -9.212 -4.816 1.00 0.00 O1- ATOM 0 H ASP A 76 -8.637 -7.956 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.286 -9.133 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.376 -9.254 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.121 -10.296 -7.007 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.375 -6.092 -8.397 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.598 -4.669 -8.225 1.00 0.00 C ATOM 1093 C GLY A 77 -9.794 -4.042 -7.098 1.00 0.00 C ATOM 1094 O GLY A 77 -10.086 -2.892 -6.784 1.00 0.00 O ATOM 0 H GLY A 77 -9.481 -6.229 -8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.354 -4.159 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.658 -4.499 -8.037 1.00 0.00 H new ATOM 1098 N THR A 78 -8.750 -4.651 -6.539 1.00 0.00 N ATOM 1099 CA THR A 78 -7.878 -4.149 -5.499 1.00 0.00 C ATOM 1100 C THR A 78 -6.443 -4.570 -5.814 1.00 0.00 C ATOM 1101 O THR A 78 -6.168 -5.248 -6.795 1.00 0.00 O ATOM 1102 CB THR A 78 -8.228 -4.747 -4.142 1.00 0.00 C ATOM 1103 OG1 THR A 78 -7.829 -6.100 -4.177 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.683 -4.627 -3.713 1.00 0.00 C ATOM 0 H THR A 78 -8.476 -5.588 -6.833 1.00 0.00 H new ATOM 0 HA THR A 78 -7.992 -3.066 -5.462 1.00 0.00 H new ATOM 0 HB THR A 78 -7.699 -4.166 -3.387 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.461 -6.613 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.813 -5.087 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.961 -3.574 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.319 -5.134 -4.439 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.543 -3.889 -5.086 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.114 -3.818 -5.305 1.00 0.00 C ATOM 1114 C TYR A 79 -3.497 -3.985 -3.917 1.00 0.00 C ATOM 1115 O TYR A 79 -3.831 -3.269 -2.977 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.738 -2.493 -5.963 1.00 0.00 C ATOM 1117 CG TYR A 79 -4.337 -2.250 -7.331 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.439 -2.501 -8.378 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.707 -2.076 -7.562 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.942 -2.433 -9.680 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -6.194 -1.983 -8.871 1.00 0.00 C ATOM 1122 CZ TYR A 79 -5.308 -2.183 -9.952 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.740 -1.980 -11.233 1.00 0.00 O ATOM 0 H TYR A 79 -5.829 -3.340 -4.275 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.749 -4.587 -5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.043 -1.681 -5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.652 -2.445 -6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.403 -2.737 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.390 -2.013 -6.728 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.264 -2.576 -10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.235 -1.761 -9.052 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.708 -1.824 -11.231 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.599 -4.965 -3.779 1.00 0.00 N ATOM 1134 CA GLY A 80 -1.851 -5.375 -2.606 1.00 0.00 C ATOM 1135 C GLY A 80 -0.488 -4.705 -2.686 1.00 0.00 C ATOM 1136 O GLY A 80 0.247 -4.855 -3.662 1.00 0.00 O ATOM 0 H GLY A 80 -2.359 -5.549 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.372 -5.080 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.746 -6.459 -2.576 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.147 -4.073 -1.558 1.00 0.00 N ATOM 1141 CA VAL A 81 1.165 -3.507 -1.346 1.00 0.00 C ATOM 1142 C VAL A 81 1.994 -4.291 -0.325 1.00 0.00 C ATOM 1143 O VAL A 81 1.366 -4.447 0.720 1.00 0.00 O ATOM 1144 CB VAL A 81 1.013 -2.055 -0.907 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.345 -1.305 -0.839 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.026 -1.342 -1.763 1.00 0.00 C ATOM 0 H VAL A 81 -0.784 -3.946 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 81 1.709 -3.564 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 81 0.646 -2.062 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.168 -0.278 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.004 -1.798 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.813 -1.304 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.120 -0.307 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.286 -1.364 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.988 -1.844 -1.661 1.00 0.00 H new ATOM 1156 N VAL A 82 3.234 -4.730 -0.552 1.00 0.00 N ATOM 1157 CA VAL A 82 4.037 -5.333 0.490 1.00 0.00 C ATOM 1158 C VAL A 82 5.421 -4.736 0.683 1.00 0.00 C ATOM 1159 O VAL A 82 6.093 -4.289 -0.234 1.00 0.00 O ATOM 1160 CB VAL A 82 4.221 -6.842 0.303 1.00 0.00 C ATOM 1161 CG1 VAL A 82 5.025 -7.262 -0.917 1.00 0.00 C ATOM 1162 CG2 VAL A 82 4.794 -7.658 1.465 1.00 0.00 C ATOM 0 H VAL A 82 3.698 -4.674 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 82 3.445 -5.115 1.379 1.00 0.00 H new ATOM 0 HB VAL A 82 3.163 -7.080 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.093 -8.349 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.532 -6.901 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.027 -6.838 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.862 -8.706 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.787 -7.286 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.141 -7.563 2.333 1.00 0.00 H new ATOM 1172 N TYR A 83 5.920 -4.614 1.922 1.00 0.00 N ATOM 1173 CA TYR A 83 7.152 -3.954 2.305 1.00 0.00 C ATOM 1174 C TYR A 83 7.600 -4.306 3.718 1.00 0.00 C ATOM 1175 O TYR A 83 6.796 -4.781 4.510 1.00 0.00 O ATOM 1176 CB TYR A 83 7.080 -2.433 2.140 1.00 0.00 C ATOM 1177 CG TYR A 83 6.203 -1.667 3.109 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.839 -1.941 3.200 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.688 -0.466 3.633 1.00 0.00 C ATOM 1180 CE1 TYR A 83 3.949 -1.123 3.906 1.00 0.00 C ATOM 1181 CE2 TYR A 83 5.799 0.392 4.296 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.423 0.115 4.415 1.00 0.00 C ATOM 1183 OH TYR A 83 3.615 1.009 5.045 1.00 0.00 O ATOM 0 H TYR A 83 5.432 -5.004 2.728 1.00 0.00 H new ATOM 0 HA TYR A 83 7.903 -4.336 1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.093 -2.038 2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.731 -2.220 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.453 -2.820 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.730 -0.203 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.924 -1.427 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.185 1.301 4.733 1.00 0.00 H new ATOM 0 HH TYR A 83 2.832 0.544 5.407 1.00 0.00 H new ATOM 1193 N ASP A 84 8.870 -4.114 4.084 1.00 0.00 N ATOM 1194 CA ASP A 84 9.543 -4.580 5.279 1.00 0.00 C ATOM 1195 C ASP A 84 10.455 -3.551 5.926 1.00 0.00 C ATOM 1196 O ASP A 84 10.938 -2.718 5.164 1.00 0.00 O ATOM 1197 CB ASP A 84 9.995 -6.032 5.184 1.00 0.00 C ATOM 1198 CG ASP A 84 10.881 -6.284 3.981 1.00 0.00 C ATOM 1199 OD1 ASP A 84 11.301 -5.330 3.279 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.292 -7.447 3.760 1.00 0.00 O1- ATOM 0 H ASP A 84 9.503 -3.578 3.490 1.00 0.00 H new ATOM 0 HA ASP A 84 8.800 -4.659 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.534 -6.302 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.120 -6.679 5.129 1.00 0.00 H new ATOM 1205 N ALA A 85 10.611 -3.570 7.255 1.00 0.00 N ATOM 1206 CA ALA A 85 11.290 -2.606 8.090 1.00 0.00 C ATOM 1207 C ALA A 85 12.362 -3.255 8.956 1.00 0.00 C ATOM 1208 O ALA A 85 12.009 -3.953 9.898 1.00 0.00 O ATOM 1209 CB ALA A 85 10.260 -1.893 8.954 1.00 0.00 C ATOM 0 H ALA A 85 10.226 -4.334 7.811 1.00 0.00 H new ATOM 0 HA ALA A 85 11.800 -1.888 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.761 -1.162 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.539 -1.384 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.742 -2.621 9.578 1.00 0.00 H new ATOM 1215 N PRO A 86 13.626 -2.919 8.677 1.00 0.00 N ATOM 1216 CA PRO A 86 14.674 -3.468 9.499 1.00 0.00 C ATOM 1217 C PRO A 86 14.785 -2.798 10.865 1.00 0.00 C ATOM 1218 O PRO A 86 15.818 -2.962 11.506 1.00 0.00 O ATOM 1219 CB PRO A 86 15.896 -3.487 8.598 1.00 0.00 C ATOM 1220 CG PRO A 86 15.703 -2.237 7.750 1.00 0.00 C ATOM 1221 CD PRO A 86 14.198 -2.277 7.507 1.00 0.00 C ATOM 0 HA PRO A 86 14.485 -4.487 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.823 -3.449 9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.935 -4.389 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.012 -1.332 8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.272 -2.278 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.796 -1.272 7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.963 -2.835 6.601 1.00 0.00 H new ATOM 1229 N VAL A 87 13.816 -1.989 11.314 1.00 0.00 N ATOM 1230 CA VAL A 87 14.035 -0.891 12.233 1.00 0.00 C ATOM 1231 C VAL A 87 12.962 -0.700 13.297 1.00 0.00 C ATOM 1232 O VAL A 87 11.769 -0.827 13.062 1.00 0.00 O ATOM 1233 CB VAL A 87 14.155 0.457 11.508 1.00 0.00 C ATOM 1234 CG1 VAL A 87 15.559 0.541 10.937 1.00 0.00 C ATOM 1235 CG2 VAL A 87 13.077 0.597 10.429 1.00 0.00 C ATOM 0 H VAL A 87 12.840 -2.092 11.035 1.00 0.00 H new ATOM 0 HA VAL A 87 14.965 -1.184 12.721 1.00 0.00 H new ATOM 0 HB VAL A 87 13.993 1.286 12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.682 1.489 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.286 0.477 11.747 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.719 -0.282 10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.184 1.560 9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.188 -0.204 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.091 0.534 10.889 1.00 0.00 H new ATOM 1245 N GLU A 88 13.310 -0.354 14.544 1.00 0.00 N ATOM 1246 CA GLU A 88 12.568 0.519 15.427 1.00 0.00 C ATOM 1247 C GLU A 88 12.505 1.919 14.845 1.00 0.00 C ATOM 1248 O GLU A 88 13.546 2.527 14.624 1.00 0.00 O ATOM 1249 CB GLU A 88 13.154 0.525 16.836 1.00 0.00 C ATOM 1250 CG GLU A 88 12.054 0.859 17.840 1.00 0.00 C ATOM 1251 CD GLU A 88 12.493 0.884 19.295 1.00 0.00 C ATOM 1252 OE1 GLU A 88 12.721 -0.220 19.839 1.00 0.00 O ATOM 1253 OE2 GLU A 88 12.628 1.939 19.946 1.00 0.00 O1- ATOM 0 H GLU A 88 14.166 -0.702 14.976 1.00 0.00 H new ATOM 0 HA GLU A 88 11.551 0.135 15.511 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.588 -0.448 17.066 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.959 1.257 16.904 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.636 1.833 17.586 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.251 0.130 17.732 1.00 0.00 H new ATOM 1260 N GLY A 89 11.292 2.353 14.485 1.00 0.00 N ATOM 1261 CA GLY A 89 11.039 3.562 13.726 1.00 0.00 C ATOM 1262 C GLY A 89 9.675 3.708 13.069 1.00 0.00 C ATOM 1263 O GLY A 89 8.655 3.120 13.414 1.00 0.00 O ATOM 0 H GLY A 89 10.438 1.849 14.726 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.184 4.413 14.391 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.797 3.634 12.946 1.00 0.00 H new ATOM 1267 N ASN A 90 9.642 4.517 12.010 1.00 0.00 N ATOM 1268 CA ASN A 90 8.472 5.037 11.343 1.00 0.00 C ATOM 1269 C ASN A 90 8.706 4.905 9.839 1.00 0.00 C ATOM 1270 O ASN A 90 9.675 5.459 9.319 1.00 0.00 O ATOM 1271 CB ASN A 90 8.099 6.401 11.911 1.00 0.00 C ATOM 1272 CG ASN A 90 6.761 6.946 11.439 1.00 0.00 C ATOM 1273 OD1 ASN A 90 5.698 6.789 12.022 1.00 0.00 O ATOM 1274 ND2 ASN A 90 6.758 7.756 10.379 1.00 0.00 N ATOM 0 H ASN A 90 10.503 4.844 11.571 1.00 0.00 H new ATOM 0 HA ASN A 90 7.561 4.469 11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.084 6.334 12.999 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.879 7.114 11.646 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.893 8.212 10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.620 7.919 9.859 1.00 0.00 H new ATOM 1281 N TYR A 91 7.828 4.192 9.136 1.00 0.00 N ATOM 1282 CA TYR A 91 7.652 4.334 7.701 1.00 0.00 C ATOM 1283 C TYR A 91 6.650 5.421 7.338 1.00 0.00 C ATOM 1284 O TYR A 91 5.649 5.580 8.027 1.00 0.00 O ATOM 1285 CB TYR A 91 7.451 2.980 7.023 1.00 0.00 C ATOM 1286 CG TYR A 91 8.668 2.110 6.792 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.885 2.687 6.439 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.453 0.735 6.628 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.941 1.907 5.930 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.463 -0.028 6.017 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.727 0.533 5.743 1.00 0.00 C ATOM 1292 OH TYR A 91 11.730 -0.295 5.342 1.00 0.00 O ATOM 0 H TYR A 91 7.215 3.493 9.556 1.00 0.00 H new ATOM 0 HA TYR A 91 8.583 4.710 7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.742 2.409 7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.980 3.158 6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.021 3.752 6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.535 0.274 6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.893 2.356 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.268 -1.057 5.754 1.00 0.00 H new ATOM 0 HH TYR A 91 11.351 -1.054 4.852 1.00 0.00 H new ATOM 1302 N ASN A 92 6.921 6.152 6.248 1.00 0.00 N ATOM 1303 CA ASN A 92 6.071 7.264 5.877 1.00 0.00 C ATOM 1304 C ASN A 92 5.663 7.079 4.427 1.00 0.00 C ATOM 1305 O ASN A 92 6.451 6.854 3.505 1.00 0.00 O ATOM 1306 CB ASN A 92 6.779 8.579 6.223 1.00 0.00 C ATOM 1307 CG ASN A 92 6.024 9.798 5.715 1.00 0.00 C ATOM 1308 OD1 ASN A 92 6.224 10.285 4.607 1.00 0.00 O ATOM 1309 ND2 ASN A 92 5.018 10.319 6.426 1.00 0.00 N ATOM 0 H ASN A 92 7.711 5.988 5.624 1.00 0.00 H new ATOM 0 HA ASN A 92 5.140 7.302 6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.895 8.652 7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.781 8.572 5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.462 11.082 6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.806 9.953 7.354 1.00 0.00 H new ATOM 1316 N VAL A 93 4.341 7.063 4.255 1.00 0.00 N ATOM 1317 CA VAL A 93 3.758 6.577 3.018 1.00 0.00 C ATOM 1318 C VAL A 93 3.116 7.596 2.099 1.00 0.00 C ATOM 1319 O VAL A 93 2.346 8.418 2.597 1.00 0.00 O ATOM 1320 CB VAL A 93 2.954 5.299 3.231 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.716 4.580 1.912 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.667 4.377 4.214 1.00 0.00 C ATOM 0 H VAL A 93 3.666 7.378 4.951 1.00 0.00 H new ATOM 0 HA VAL A 93 4.623 6.310 2.411 1.00 0.00 H new ATOM 0 HB VAL A 93 1.986 5.575 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.141 3.672 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.163 5.233 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.674 4.320 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.079 3.470 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.649 4.116 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.783 4.886 5.171 1.00 0.00 H new ATOM 1332 N ASN A 94 3.351 7.565 0.782 1.00 0.00 N ATOM 1333 CA ASN A 94 2.867 8.395 -0.296 1.00 0.00 C ATOM 1334 C ASN A 94 2.489 7.491 -1.467 1.00 0.00 C ATOM 1335 O ASN A 94 3.277 6.640 -1.867 1.00 0.00 O ATOM 1336 CB ASN A 94 3.945 9.372 -0.750 1.00 0.00 C ATOM 1337 CG ASN A 94 3.416 10.491 -1.633 1.00 0.00 C ATOM 1338 OD1 ASN A 94 2.253 10.877 -1.607 1.00 0.00 O ATOM 1339 ND2 ASN A 94 4.184 10.868 -2.664 1.00 0.00 N ATOM 0 H ASN A 94 3.976 6.850 0.411 1.00 0.00 H new ATOM 0 HA ASN A 94 2.005 8.965 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.423 9.807 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.715 8.824 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.797 11.460 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.156 10.563 -2.714 1.00 0.00 H new ATOM 1346 N VAL A 95 1.269 7.656 -1.993 1.00 0.00 N ATOM 1347 CA VAL A 95 0.720 6.795 -3.018 1.00 0.00 C ATOM 1348 C VAL A 95 0.456 7.633 -4.256 1.00 0.00 C ATOM 1349 O VAL A 95 0.077 8.797 -4.220 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.525 6.043 -2.559 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.240 5.072 -3.496 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.196 5.239 -1.311 1.00 0.00 C ATOM 0 H VAL A 95 0.637 8.404 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 95 1.447 6.016 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.222 6.873 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.100 4.640 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.577 5.605 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.554 4.277 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.084 4.700 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.598 4.527 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.135 5.913 -0.521 1.00 0.00 H new ATOM 1362 N THR A 96 0.503 6.970 -5.421 1.00 0.00 N ATOM 1363 CA THR A 96 0.332 7.662 -6.673 1.00 0.00 C ATOM 1364 C THR A 96 -0.270 6.780 -7.763 1.00 0.00 C ATOM 1365 O THR A 96 0.056 5.597 -7.830 1.00 0.00 O ATOM 1366 CB THR A 96 1.644 8.265 -7.194 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.775 7.452 -7.035 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.018 9.629 -6.619 1.00 0.00 C ATOM 0 H THR A 96 0.657 5.965 -5.506 1.00 0.00 H new ATOM 0 HA THR A 96 -0.368 8.467 -6.450 1.00 0.00 H new ATOM 0 HB THR A 96 1.393 8.366 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.562 7.912 -7.394 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.960 9.961 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.235 10.350 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.126 9.551 -5.537 1.00 0.00 H new ATOM 1376 N LEU A 97 -0.987 7.347 -8.730 1.00 0.00 N ATOM 1377 CA LEU A 97 -2.035 6.704 -9.495 1.00 0.00 C ATOM 1378 C LEU A 97 -1.788 7.154 -10.924 1.00 0.00 C ATOM 1379 O LEU A 97 -2.125 8.247 -11.357 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.408 7.243 -9.094 1.00 0.00 C ATOM 1381 CG LEU A 97 -4.196 6.538 -7.995 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -3.479 6.548 -6.638 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -5.609 7.101 -7.899 1.00 0.00 C ATOM 0 H LEU A 97 -0.840 8.317 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.023 5.624 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.276 8.281 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.030 7.252 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.267 5.488 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.091 6.031 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.518 6.042 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.318 7.578 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.154 6.584 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.562 8.166 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.124 6.956 -8.849 1.00 0.00 H new ATOM 1395 N ARG A 98 -1.060 6.278 -11.618 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.408 6.680 -12.854 1.00 0.00 C ATOM 1397 C ARG A 98 0.362 7.969 -12.658 1.00 0.00 C ATOM 1398 O ARG A 98 0.246 8.953 -13.399 1.00 0.00 O ATOM 1399 CB ARG A 98 -1.362 6.582 -14.041 1.00 0.00 C ATOM 1400 CG ARG A 98 -0.558 6.759 -15.322 1.00 0.00 C ATOM 1401 CD ARG A 98 -1.466 6.846 -16.539 1.00 0.00 C ATOM 1402 NE ARG A 98 -2.093 5.539 -16.768 1.00 0.00 N ATOM 1403 CZ ARG A 98 -1.932 4.655 -17.767 1.00 0.00 C ATOM 1404 NH1 ARG A 98 -1.218 4.908 -18.868 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -2.657 3.535 -17.791 1.00 0.00 N ATOM 0 H ARG A 98 -0.912 5.306 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 98 0.374 5.974 -13.133 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.868 5.617 -14.042 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.135 7.347 -13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.047 7.663 -15.252 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.131 5.923 -15.439 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.231 7.607 -16.383 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.892 7.146 -17.416 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.761 5.255 -16.051 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.760 5.812 -18.982 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.131 4.197 -19.594 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.334 3.350 -17.051 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.534 2.864 -18.550 1.00 0.00 H new ATOM 1419 N GLY A 99 1.062 7.998 -11.530 1.00 0.00 N ATOM 1420 CA GLY A 99 1.728 9.134 -10.910 1.00 0.00 C ATOM 1421 C GLY A 99 0.824 10.150 -10.227 1.00 0.00 C ATOM 1422 O GLY A 99 1.413 10.981 -9.541 1.00 0.00 O ATOM 0 H GLY A 99 1.188 7.150 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.437 8.756 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.308 9.651 -11.675 1.00 0.00 H new ATOM 1426 N ASN A 100 -0.507 10.168 -10.406 1.00 0.00 N ATOM 1427 CA ASN A 100 -1.240 11.194 -9.688 1.00 0.00 C ATOM 1428 C ASN A 100 -1.449 11.041 -8.187 1.00 0.00 C ATOM 1429 O ASN A 100 -1.827 9.947 -7.775 1.00 0.00 O ATOM 1430 CB ASN A 100 -2.582 11.296 -10.406 1.00 0.00 C ATOM 1431 CG ASN A 100 -2.467 11.557 -11.895 1.00 0.00 C ATOM 1432 OD1 ASN A 100 -1.778 12.486 -12.329 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -3.163 10.794 -12.740 1.00 0.00 N ATOM 0 H ASN A 100 -1.052 9.536 -10.993 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.620 12.091 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -3.136 10.370 -10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -3.166 12.096 -9.951 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.126 10.978 -13.743 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.732 10.027 -12.383 1.00 0.00 H new ATOM 1440 N PRO A 101 -1.119 11.990 -7.314 1.00 0.00 N ATOM 1441 CA PRO A 101 -1.225 11.934 -5.866 1.00 0.00 C ATOM 1442 C PRO A 101 -2.701 12.072 -5.526 1.00 0.00 C ATOM 1443 O PRO A 101 -3.614 12.463 -6.246 1.00 0.00 O ATOM 1444 CB PRO A 101 -0.384 13.063 -5.289 1.00 0.00 C ATOM 1445 CG PRO A 101 -0.594 14.120 -6.364 1.00 0.00 C ATOM 1446 CD PRO A 101 -0.648 13.319 -7.667 1.00 0.00 C ATOM 0 HA PRO A 101 -0.855 11.000 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.736 13.388 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.664 12.786 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.516 14.678 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.220 14.845 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.319 13.791 -8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.336 13.271 -8.134 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.957 11.869 -4.232 1.00 0.00 N ATOM 1455 CA ILE A 102 -4.293 11.621 -3.727 1.00 0.00 C ATOM 1456 C ILE A 102 -4.408 12.300 -2.367 1.00 0.00 C ATOM 1457 O ILE A 102 -3.472 12.953 -1.906 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.444 10.108 -3.707 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.501 9.333 -2.787 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -4.520 9.662 -5.163 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -4.067 7.939 -2.569 1.00 0.00 C ATOM 0 H ILE A 102 -2.237 11.874 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.103 12.031 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.369 9.837 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.507 9.272 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.394 9.850 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.629 8.578 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.378 10.133 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.607 9.956 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.403 7.375 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.052 8.014 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.152 7.427 -3.527 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.612 12.200 -1.794 1.00 0.00 N ATOM 1474 CA LYS A 103 -6.119 12.892 -0.631 1.00 0.00 C ATOM 1475 C LYS A 103 -5.633 12.231 0.662 1.00 0.00 C ATOM 1476 O LYS A 103 -5.233 11.077 0.621 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.644 12.867 -0.595 1.00 0.00 C ATOM 1478 CG LYS A 103 -8.252 13.988 -1.445 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.751 13.927 -1.697 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.324 15.123 -2.464 1.00 0.00 C ATOM 1481 NZ LYS A 103 -10.661 16.320 -1.675 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.314 11.569 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.753 13.916 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.000 11.903 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.985 12.967 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.028 14.939 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.746 13.994 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.975 13.016 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.263 13.849 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.603 15.412 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -11.224 14.794 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.038 17.056 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.377 16.075 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.806 16.675 -1.200 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.627 12.887 1.825 1.00 0.00 N ATOM 1496 CA ASN A 104 -5.250 12.280 3.092 1.00 0.00 C ATOM 1497 C ASN A 104 -3.892 11.591 3.168 1.00 0.00 C ATOM 1498 O ASN A 104 -3.714 10.464 3.610 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.293 11.327 3.665 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.688 11.929 3.619 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.555 11.432 2.889 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -7.920 13.036 4.329 1.00 0.00 N ATOM 0 H ASN A 104 -5.889 13.869 1.908 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.178 13.181 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.281 10.393 3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.036 11.082 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.830 13.493 4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.187 13.424 4.923 1.00 0.00 H new ATOM 1509 N MET A 105 -2.862 12.226 2.617 1.00 0.00 N ATOM 1510 CA MET A 105 -1.562 11.724 2.237 1.00 0.00 C ATOM 1511 C MET A 105 -0.521 12.763 2.639 1.00 0.00 C ATOM 1512 O MET A 105 -0.806 13.940 2.422 1.00 0.00 O ATOM 1513 CB MET A 105 -1.458 11.426 0.749 1.00 0.00 C ATOM 1514 CG MET A 105 -1.948 10.039 0.351 1.00 0.00 C ATOM 1515 SD MET A 105 -0.824 8.740 0.939 1.00 0.00 S ATOM 1516 CE MET A 105 -1.944 7.351 1.243 1.00 0.00 C ATOM 0 H MET A 105 -2.936 13.221 2.405 1.00 0.00 H new ATOM 0 HA MET A 105 -1.393 10.777 2.750 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.032 12.173 0.200 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.418 11.533 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.944 9.873 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.036 9.981 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.373 6.496 1.606 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.684 7.637 1.990 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.450 7.082 0.316 1.00 0.00 H new ATOM 1526 N PRO A 106 0.654 12.437 3.170 1.00 0.00 N ATOM 1527 CA PRO A 106 1.163 11.105 3.418 1.00 0.00 C ATOM 1528 C PRO A 106 0.533 10.553 4.693 1.00 0.00 C ATOM 1529 O PRO A 106 -0.137 11.218 5.467 1.00 0.00 O ATOM 1530 CB PRO A 106 2.679 11.204 3.528 1.00 0.00 C ATOM 1531 CG PRO A 106 2.961 12.664 3.869 1.00 0.00 C ATOM 1532 CD PRO A 106 1.709 13.399 3.433 1.00 0.00 C ATOM 0 HA PRO A 106 0.910 10.420 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.062 10.538 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.161 10.918 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.148 12.795 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.842 13.032 3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.395 14.097 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.912 13.987 2.538 1.00 0.00 H new ATOM 1540 N ILE A 107 0.675 9.235 4.860 1.00 0.00 N ATOM 1541 CA ILE A 107 0.331 8.500 6.060 1.00 0.00 C ATOM 1542 C ILE A 107 1.524 7.879 6.771 1.00 0.00 C ATOM 1543 O ILE A 107 2.527 7.625 6.115 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.837 7.542 5.903 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.536 6.391 4.952 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -2.028 8.383 5.469 1.00 0.00 C ATOM 1547 CD1 ILE A 107 0.215 5.202 5.543 1.00 0.00 C ATOM 0 H ILE A 107 1.050 8.634 4.126 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.036 9.273 6.735 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.052 7.041 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.480 6.030 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.045 6.781 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.899 7.741 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.240 9.134 6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.800 8.877 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.370 4.449 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.180 5.535 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.368 4.772 6.357 1.00 0.00 H new ATOM 1559 N ASP A 108 1.494 7.520 8.061 1.00 0.00 N ATOM 1560 CA ASP A 108 2.656 7.164 8.850 1.00 0.00 C ATOM 1561 C ASP A 108 2.533 5.767 9.444 1.00 0.00 C ATOM 1562 O ASP A 108 1.403 5.460 9.827 1.00 0.00 O ATOM 1563 CB ASP A 108 2.936 8.247 9.887 1.00 0.00 C ATOM 1564 CG ASP A 108 3.451 9.503 9.191 1.00 0.00 C ATOM 1565 OD1 ASP A 108 4.694 9.564 9.058 1.00 0.00 O ATOM 1566 OD2 ASP A 108 2.653 10.347 8.730 1.00 0.00 O1- ATOM 0 H ASP A 108 0.625 7.471 8.592 1.00 0.00 H new ATOM 0 HA ASP A 108 3.527 7.116 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.027 8.475 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.672 7.892 10.609 1.00 0.00 H new ATOM 1571 N VAL A 109 3.555 4.906 9.390 1.00 0.00 N ATOM 1572 CA VAL A 109 3.481 3.548 9.884 1.00 0.00 C ATOM 1573 C VAL A 109 4.630 3.201 10.809 1.00 0.00 C ATOM 1574 O VAL A 109 5.831 3.274 10.526 1.00 0.00 O ATOM 1575 CB VAL A 109 3.276 2.559 8.737 1.00 0.00 C ATOM 1576 CG1 VAL A 109 2.573 1.322 9.302 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.386 2.962 7.563 1.00 0.00 C ATOM 0 H VAL A 109 4.464 5.147 8.995 1.00 0.00 H new ATOM 0 HA VAL A 109 2.596 3.466 10.515 1.00 0.00 H new ATOM 0 HB VAL A 109 4.287 2.444 8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.414 0.598 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.193 0.875 10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.612 1.612 9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.348 2.148 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.380 3.173 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.794 3.853 7.086 1.00 0.00 H new ATOM 1587 N LYS A 110 4.209 2.825 12.017 1.00 0.00 N ATOM 1588 CA LYS A 110 5.047 2.258 13.046 1.00 0.00 C ATOM 1589 C LYS A 110 5.810 1.017 12.613 1.00 0.00 C ATOM 1590 O LYS A 110 5.192 0.117 12.051 1.00 0.00 O ATOM 1591 CB LYS A 110 4.269 2.071 14.349 1.00 0.00 C ATOM 1592 CG LYS A 110 5.129 1.787 15.568 1.00 0.00 C ATOM 1593 CD LYS A 110 4.298 1.620 16.843 1.00 0.00 C ATOM 1594 CE LYS A 110 5.092 1.525 18.138 1.00 0.00 C ATOM 1595 NZ LYS A 110 4.207 1.644 19.314 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.235 2.915 12.306 1.00 0.00 H new ATOM 0 HA LYS A 110 5.833 2.988 13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.682 2.970 14.537 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.563 1.250 14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.711 0.882 15.396 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.840 2.602 15.705 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.611 2.463 16.920 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.690 0.721 16.744 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.623 0.574 18.174 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.845 2.312 18.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.774 1.576 20.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.719 2.562 19.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.504 0.878 19.298 1.00 0.00 H new ATOM 1609 N CYS A 111 7.128 0.981 12.860 1.00 0.00 N ATOM 1610 CA CYS A 111 7.944 -0.174 12.563 1.00 0.00 C ATOM 1611 C CYS A 111 8.633 -0.681 13.829 1.00 0.00 C ATOM 1612 O CYS A 111 8.994 0.134 14.673 1.00 0.00 O ATOM 1613 CB CYS A 111 9.065 0.281 11.632 1.00 0.00 C ATOM 1614 SG CYS A 111 8.388 1.149 10.188 1.00 0.00 S ATOM 0 H CYS A 111 7.645 1.758 13.271 1.00 0.00 H new ATOM 0 HA CYS A 111 7.314 -0.952 12.132 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.747 0.938 12.171 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.645 -0.582 11.305 1.00 0.00 H new ATOM 0 HG CYS A 111 7.328 1.815 10.539 1.00 0.00 H new ATOM 1620 N ILE A 112 8.950 -1.976 13.839 1.00 0.00 N ATOM 1621 CA ILE A 112 9.844 -2.657 14.745 1.00 0.00 C ATOM 1622 C ILE A 112 10.533 -3.871 14.123 1.00 0.00 C ATOM 1623 O ILE A 112 9.918 -4.586 13.332 1.00 0.00 O ATOM 1624 CB ILE A 112 9.133 -2.969 16.063 1.00 0.00 C ATOM 1625 CG1 ILE A 112 10.014 -3.509 17.177 1.00 0.00 C ATOM 1626 CG2 ILE A 112 8.091 -4.047 15.786 1.00 0.00 C ATOM 1627 CD1 ILE A 112 11.073 -2.580 17.771 1.00 0.00 C ATOM 0 H ILE A 112 8.550 -2.618 13.154 1.00 0.00 H new ATOM 0 HA ILE A 112 10.664 -1.975 14.969 1.00 0.00 H new ATOM 0 HB ILE A 112 8.732 -2.016 16.407 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.363 -3.835 17.988 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.522 -4.396 16.800 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.566 -4.291 16.709 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.377 -3.682 15.048 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.584 -4.940 15.402 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.621 -3.106 18.553 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.766 -2.270 16.988 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.589 -1.701 18.195 1.00 0.00 H new ATOM 1639 N GLU A 113 11.825 -4.056 14.383 1.00 0.00 N ATOM 1640 CA GLU A 113 12.792 -4.929 13.761 1.00 0.00 C ATOM 1641 C GLU A 113 12.583 -6.418 14.000 1.00 0.00 C ATOM 1642 O GLU A 113 13.400 -7.291 14.314 1.00 0.00 O ATOM 1643 CB GLU A 113 14.187 -4.423 14.135 1.00 0.00 C ATOM 1644 CG GLU A 113 14.624 -4.090 15.557 1.00 0.00 C ATOM 1645 CD GLU A 113 15.886 -3.238 15.554 1.00 0.00 C ATOM 1646 OE1 GLU A 113 16.978 -3.830 15.630 1.00 0.00 O ATOM 1647 OE2 GLU A 113 15.706 -2.046 15.218 1.00 0.00 O1- ATOM 0 H GLU A 113 12.265 -3.523 15.134 1.00 0.00 H new ATOM 0 HA GLU A 113 12.656 -4.874 12.681 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.890 -5.172 13.769 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.350 -3.519 13.548 1.00 0.00 H new ATOM 0 HG2 GLU A 113 13.824 -3.559 16.072 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.804 -5.011 16.111 1.00 0.00 H new ATOM 1654 N GLY A 114 11.322 -6.845 13.899 1.00 0.00 N ATOM 1655 CA GLY A 114 10.827 -8.181 14.166 1.00 0.00 C ATOM 1656 C GLY A 114 11.149 -9.149 13.034 1.00 0.00 C ATOM 0 H GLY A 114 10.574 -6.215 13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.264 -8.550 15.094 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.748 -8.144 14.315 1.00 0.00 H new