USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 812 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 77 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= -0.244 F(o=-2,f=-0.04) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.203 K(o=-0.04,f=-1.7) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 87:sc= 0.224 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= -0.0905 (180deg=-0.616!) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= -0.386 (180deg=-0.391) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 74:sc= 0.0863 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 54 TYR OH : rot 151:sc= -2.13! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= 0.54 (180deg=-0.191) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.961 X(o=-0.96,f=-0.55!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.244) USER MOD Single : A 86 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-4.3!) USER MOD Single : A 87 THR OG1 : rot -150:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -6.83! C(o=-6.8!,f=-8.7!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -130:sc= -0.171 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.1!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -172:sc= -0.402 (180deg=-0.715) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -12.590 3.640 -5.765 1.00 0.00 N ATOM 177 CA LYS A 15 -12.976 2.266 -5.467 1.00 0.00 C ATOM 178 C LYS A 15 -12.327 1.293 -6.446 1.00 0.00 C ATOM 179 O LYS A 15 -11.891 1.686 -7.528 1.00 0.00 O ATOM 180 CB LYS A 15 -14.499 2.119 -5.519 1.00 0.00 C ATOM 181 CG LYS A 15 -15.079 2.295 -6.912 1.00 0.00 C ATOM 182 CD LYS A 15 -16.393 1.549 -7.067 1.00 0.00 C ATOM 183 CE LYS A 15 -17.524 2.255 -6.334 1.00 0.00 C ATOM 184 NZ LYS A 15 -18.764 1.431 -6.303 1.00 0.00 N ATOM 0 HA LYS A 15 -12.628 2.028 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.774 1.134 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.950 2.853 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.236 3.355 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.365 1.934 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.641 1.463 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.285 0.535 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.212 2.480 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.733 3.208 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.511 1.947 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.077 1.238 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.572 0.532 -5.816 1.00 0.00 H new ATOM 198 N ARG A 16 -12.268 0.023 -6.059 1.00 0.00 N ATOM 199 CA ARG A 16 -11.672 -1.006 -6.904 1.00 0.00 C ATOM 200 C ARG A 16 -12.751 -1.828 -7.603 1.00 0.00 C ATOM 201 O ARG A 16 -13.538 -2.516 -6.955 1.00 0.00 O ATOM 202 CB ARG A 16 -10.776 -1.924 -6.071 1.00 0.00 C ATOM 203 CG ARG A 16 -10.059 -2.983 -6.891 1.00 0.00 C ATOM 204 CD ARG A 16 -9.762 -4.224 -6.063 1.00 0.00 C ATOM 205 NE ARG A 16 -9.739 -5.434 -6.879 1.00 0.00 N ATOM 206 CZ ARG A 16 -9.894 -6.658 -6.385 1.00 0.00 C ATOM 207 NH1 ARG A 16 -10.084 -6.831 -5.084 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.860 -7.710 -7.192 1.00 0.00 N ATOM 0 H ARG A 16 -12.625 -0.318 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.067 -0.511 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.036 -1.318 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.382 -2.415 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.672 -3.256 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.127 -2.573 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.800 -4.105 -5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.516 -4.328 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.596 -5.335 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.111 -6.024 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.203 -7.771 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.715 -7.580 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.979 -8.649 -6.811 1.00 0.00 H new ATOM 222 N ASN A 17 -12.781 -1.749 -8.929 1.00 0.00 N ATOM 223 CA ASN A 17 -13.764 -2.484 -9.716 1.00 0.00 C ATOM 224 C ASN A 17 -13.520 -3.987 -9.625 1.00 0.00 C ATOM 225 O ASN A 17 -12.382 -4.457 -9.608 1.00 0.00 O ATOM 226 CB ASN A 17 -13.716 -2.036 -11.179 1.00 0.00 C ATOM 227 CG ASN A 17 -14.333 -0.666 -11.384 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.506 -0.548 -11.737 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.542 0.378 -11.163 1.00 0.00 N ATOM 0 H ASN A 17 -12.136 -1.184 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.752 -2.269 -9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.680 -2.019 -11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.241 -2.764 -11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.901 1.325 -11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.575 0.233 -10.871 1.00 0.00 H new ATOM 236 N PRO A 18 -14.613 -4.762 -9.566 1.00 0.00 N ATOM 237 CA PRO A 18 -14.544 -6.224 -9.476 1.00 0.00 C ATOM 238 C PRO A 18 -14.043 -6.860 -10.768 1.00 0.00 C ATOM 239 O PRO A 18 -13.258 -7.807 -10.741 1.00 0.00 O ATOM 240 CB PRO A 18 -15.995 -6.632 -9.206 1.00 0.00 C ATOM 241 CG PRO A 18 -16.812 -5.523 -9.774 1.00 0.00 C ATOM 242 CD PRO A 18 -16.002 -4.271 -9.582 1.00 0.00 C ATOM 0 HA PRO A 18 -13.845 -6.553 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.234 -7.583 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.180 -6.754 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.022 -5.694 -10.830 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.774 -5.447 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.167 -3.558 -10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.260 -3.764 -8.652 1.00 0.00 H new ATOM 250 N ASN A 19 -14.503 -6.334 -11.899 1.00 0.00 N ATOM 251 CA ASN A 19 -14.101 -6.851 -13.202 1.00 0.00 C ATOM 252 C ASN A 19 -12.592 -6.731 -13.393 1.00 0.00 C ATOM 253 O ASN A 19 -11.949 -7.637 -13.924 1.00 0.00 O ATOM 254 CB ASN A 19 -14.829 -6.101 -14.319 1.00 0.00 C ATOM 255 CG ASN A 19 -16.319 -6.379 -14.326 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.756 -7.472 -14.688 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.109 -5.389 -13.927 1.00 0.00 N ATOM 0 H ASN A 19 -15.154 -5.550 -11.939 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.372 -7.906 -13.246 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.663 -5.030 -14.202 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.404 -6.387 -15.281 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.121 -5.518 -13.912 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.704 -4.499 -13.635 1.00 0.00 H new ATOM 264 N ALA A 20 -12.033 -5.607 -12.956 1.00 0.00 N ATOM 265 CA ALA A 20 -10.600 -5.370 -13.076 1.00 0.00 C ATOM 266 C ALA A 20 -9.800 -6.531 -12.496 1.00 0.00 C ATOM 267 O ALA A 20 -10.024 -6.967 -11.366 1.00 0.00 O ATOM 268 CB ALA A 20 -10.221 -4.068 -12.386 1.00 0.00 C ATOM 0 H ALA A 20 -12.551 -4.847 -12.516 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.358 -5.291 -14.136 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.148 -3.904 -12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.758 -3.241 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.485 -4.126 -11.330 1.00 0.00 H new ATOM 274 N PRO A 21 -8.845 -7.046 -13.284 1.00 0.00 N ATOM 275 CA PRO A 21 -7.993 -8.164 -12.869 1.00 0.00 C ATOM 276 C PRO A 21 -7.011 -7.768 -11.772 1.00 0.00 C ATOM 277 O PRO A 21 -6.322 -6.754 -11.879 1.00 0.00 O ATOM 278 CB PRO A 21 -7.243 -8.533 -14.151 1.00 0.00 C ATOM 279 CG PRO A 21 -7.234 -7.282 -14.959 1.00 0.00 C ATOM 280 CD PRO A 21 -8.523 -6.576 -14.642 1.00 0.00 C ATOM 0 HA PRO A 21 -8.574 -8.985 -12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.230 -8.871 -13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.742 -9.344 -14.682 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.376 -6.660 -14.706 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.163 -7.505 -16.023 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.406 -5.493 -14.675 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.308 -6.834 -15.353 1.00 0.00 H new ATOM 288 N VAL A 22 -6.951 -8.575 -10.718 1.00 0.00 N ATOM 289 CA VAL A 22 -6.052 -8.310 -9.601 1.00 0.00 C ATOM 290 C VAL A 22 -4.596 -8.502 -10.011 1.00 0.00 C ATOM 291 O VAL A 22 -4.167 -9.615 -10.319 1.00 0.00 O ATOM 292 CB VAL A 22 -6.361 -9.224 -8.401 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.292 -10.687 -8.813 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.404 -8.939 -7.254 1.00 0.00 C ATOM 0 H VAL A 22 -7.515 -9.419 -10.614 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.210 -7.273 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.374 -9.015 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.513 -11.318 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.021 -10.878 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.292 -10.914 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.637 -9.594 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.380 -9.119 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.508 -7.900 -6.943 1.00 0.00 H new ATOM 304 N THR A 23 -3.838 -7.410 -10.012 1.00 0.00 N ATOM 305 CA THR A 23 -2.429 -7.458 -10.384 1.00 0.00 C ATOM 306 C THR A 23 -1.648 -8.388 -9.463 1.00 0.00 C ATOM 307 O THR A 23 -1.112 -9.406 -9.900 1.00 0.00 O ATOM 308 CB THR A 23 -1.790 -6.057 -10.343 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.677 -5.097 -10.927 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.462 -6.047 -11.086 1.00 0.00 C ATOM 0 H THR A 23 -4.176 -6.481 -9.759 1.00 0.00 H new ATOM 0 HA THR A 23 -2.384 -7.840 -11.404 1.00 0.00 H new ATOM 0 HB THR A 23 -1.607 -5.795 -9.301 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.290 -4.758 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.029 -5.048 -11.044 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.221 -6.758 -10.621 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.625 -6.328 -12.126 1.00 0.00 H new ATOM 318 N LYS A 24 -1.589 -8.032 -8.184 1.00 0.00 N ATOM 319 CA LYS A 24 -0.875 -8.836 -7.198 1.00 0.00 C ATOM 320 C LYS A 24 -1.566 -8.771 -5.840 1.00 0.00 C ATOM 321 O LYS A 24 -2.120 -7.739 -5.463 1.00 0.00 O ATOM 322 CB LYS A 24 0.572 -8.355 -7.070 1.00 0.00 C ATOM 323 CG LYS A 24 1.527 -9.424 -6.568 1.00 0.00 C ATOM 324 CD LYS A 24 2.693 -8.818 -5.805 1.00 0.00 C ATOM 325 CE LYS A 24 3.218 -9.770 -4.741 1.00 0.00 C ATOM 326 NZ LYS A 24 2.140 -10.213 -3.813 1.00 0.00 N ATOM 0 H LYS A 24 -2.027 -7.192 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.879 -9.872 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.915 -8.001 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.604 -7.503 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.990 -10.118 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.904 -10.001 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.495 -8.570 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.378 -7.886 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.665 -10.641 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.008 -9.279 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.558 -10.749 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.641 -9.381 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.468 -10.819 -4.326 1.00 0.00 H new ATOM 340 N ALA A 25 -1.527 -9.880 -5.109 1.00 0.00 N ATOM 341 CA ALA A 25 -2.147 -9.948 -3.791 1.00 0.00 C ATOM 342 C ALA A 25 -1.210 -10.595 -2.777 1.00 0.00 C ATOM 343 O ALA A 25 -0.539 -11.581 -3.078 1.00 0.00 O ATOM 344 CB ALA A 25 -3.460 -10.714 -3.864 1.00 0.00 C ATOM 0 H ALA A 25 -1.073 -10.743 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.352 -8.930 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.912 -10.757 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.139 -10.208 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.271 -11.726 -4.221 1.00 0.00 H new ATOM 350 N GLY A 26 -1.170 -10.033 -1.572 1.00 0.00 N ATOM 351 CA GLY A 26 -0.311 -10.569 -0.532 1.00 0.00 C ATOM 352 C GLY A 26 -0.434 -9.806 0.772 1.00 0.00 C ATOM 353 O GLY A 26 -0.571 -8.582 0.772 1.00 0.00 O ATOM 0 H GLY A 26 -1.717 -9.217 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.562 -11.616 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.725 -10.540 -0.870 1.00 0.00 H new ATOM 357 N TRP A 27 -0.388 -10.529 1.885 1.00 0.00 N ATOM 358 CA TRP A 27 -0.498 -9.912 3.202 1.00 0.00 C ATOM 359 C TRP A 27 0.764 -9.124 3.541 1.00 0.00 C ATOM 360 O TRP A 27 1.814 -9.705 3.816 1.00 0.00 O ATOM 361 CB TRP A 27 -0.750 -10.978 4.268 1.00 0.00 C ATOM 362 CG TRP A 27 -2.183 -11.409 4.351 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.775 -12.423 3.653 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.203 -10.837 5.176 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.103 -12.515 3.995 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.390 -11.554 4.928 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.230 -9.791 6.102 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.588 -11.256 5.572 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.420 -9.496 6.740 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.585 -10.227 6.473 1.00 0.00 C ATOM 0 H TRP A 27 -0.275 -11.543 1.902 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.341 -9.221 3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.128 -11.848 4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.437 -10.592 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.274 -13.059 2.938 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.767 -13.190 3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.337 -9.223 6.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.488 -11.817 5.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.452 -8.688 7.456 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.499 -9.973 6.989 1.00 0.00 H new ATOM 381 N LEU A 28 0.653 -7.801 3.519 1.00 0.00 N ATOM 382 CA LEU A 28 1.786 -6.933 3.825 1.00 0.00 C ATOM 383 C LEU A 28 1.541 -6.152 5.112 1.00 0.00 C ATOM 384 O LEU A 28 0.486 -6.274 5.734 1.00 0.00 O ATOM 385 CB LEU A 28 2.039 -5.966 2.667 1.00 0.00 C ATOM 386 CG LEU A 28 2.635 -6.578 1.399 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.433 -5.649 0.212 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.113 -6.881 1.596 1.00 0.00 C ATOM 0 H LEU A 28 -0.209 -7.305 3.293 1.00 0.00 H new ATOM 0 HA LEU A 28 2.666 -7.560 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.095 -5.488 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.708 -5.180 3.016 1.00 0.00 H new ATOM 0 HG LEU A 28 2.117 -7.515 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.864 -6.101 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.367 -5.483 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.924 -4.696 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.520 -7.316 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.646 -5.959 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.233 -7.586 2.419 1.00 0.00 H new ATOM 400 N PHE A 29 2.523 -5.347 5.505 1.00 0.00 N ATOM 401 CA PHE A 29 2.415 -4.544 6.717 1.00 0.00 C ATOM 402 C PHE A 29 2.539 -3.057 6.397 1.00 0.00 C ATOM 403 O PHE A 29 3.392 -2.649 5.609 1.00 0.00 O ATOM 404 CB PHE A 29 3.492 -4.953 7.723 1.00 0.00 C ATOM 405 CG PHE A 29 3.341 -6.360 8.225 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.572 -7.438 7.385 1.00 0.00 C ATOM 407 CD2 PHE A 29 2.967 -6.606 9.536 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.434 -8.735 7.844 1.00 0.00 C ATOM 409 CE2 PHE A 29 2.828 -7.900 10.001 1.00 0.00 C ATOM 410 CZ PHE A 29 3.061 -8.966 9.154 1.00 0.00 C ATOM 0 H PHE A 29 3.403 -5.234 5.001 1.00 0.00 H new ATOM 0 HA PHE A 29 1.433 -4.722 7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.472 -4.845 7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.464 -4.268 8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.863 -7.263 6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.782 -5.777 10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.618 -9.566 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.537 -8.078 11.026 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.952 -9.978 9.515 1.00 0.00 H new ATOM 420 N LYS A 30 1.681 -2.252 7.014 1.00 0.00 N ATOM 421 CA LYS A 30 1.693 -0.810 6.798 1.00 0.00 C ATOM 422 C LYS A 30 2.099 -0.072 8.069 1.00 0.00 C ATOM 423 O LYS A 30 1.454 -0.207 9.108 1.00 0.00 O ATOM 424 CB LYS A 30 0.314 -0.331 6.336 1.00 0.00 C ATOM 425 CG LYS A 30 0.328 1.056 5.719 1.00 0.00 C ATOM 426 CD LYS A 30 -0.943 1.329 4.932 1.00 0.00 C ATOM 427 CE LYS A 30 -1.247 2.817 4.862 1.00 0.00 C ATOM 428 NZ LYS A 30 -2.681 3.077 4.554 1.00 0.00 N ATOM 0 H LYS A 30 0.968 -2.574 7.668 1.00 0.00 H new ATOM 0 HA LYS A 30 2.426 -0.591 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.083 -1.039 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.367 -0.334 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.438 1.804 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.192 1.154 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.840 0.930 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.779 0.807 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.989 3.285 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.622 3.280 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.844 4.103 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.926 2.638 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.276 2.672 5.305 1.00 0.00 H new ATOM 442 N GLN A 31 3.172 0.708 7.978 1.00 0.00 N ATOM 443 CA GLN A 31 3.662 1.467 9.122 1.00 0.00 C ATOM 444 C GLN A 31 2.678 2.566 9.509 1.00 0.00 C ATOM 445 O GLN A 31 2.106 3.231 8.647 1.00 0.00 O ATOM 446 CB GLN A 31 5.029 2.078 8.807 1.00 0.00 C ATOM 447 CG GLN A 31 5.921 2.235 10.028 1.00 0.00 C ATOM 448 CD GLN A 31 6.871 3.411 9.909 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.538 4.534 10.288 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.063 3.158 9.380 1.00 0.00 N ATOM 0 H GLN A 31 3.718 0.830 7.125 1.00 0.00 H new ATOM 0 HA GLN A 31 3.763 0.782 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.537 1.452 8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.884 3.055 8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.299 2.364 10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.497 1.321 10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.297 2.212 9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.744 3.910 9.275 1.00 0.00 H new ATOM 459 N ALA A 32 2.486 2.749 10.811 1.00 0.00 N ATOM 460 CA ALA A 32 1.572 3.768 11.312 1.00 0.00 C ATOM 461 C ALA A 32 2.128 5.168 11.076 1.00 0.00 C ATOM 462 O ALA A 32 1.671 5.887 10.188 1.00 0.00 O ATOM 463 CB ALA A 32 1.298 3.550 12.793 1.00 0.00 C ATOM 0 H ALA A 32 2.951 2.205 11.538 1.00 0.00 H new ATOM 0 HA ALA A 32 0.634 3.680 10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.614 4.318 13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.850 2.567 12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.234 3.608 13.349 1.00 0.00 H new ATOM 536 N GLN A 38 4.707 1.434 14.229 1.00 0.00 N ATOM 537 CA GLN A 38 4.234 0.062 14.368 1.00 0.00 C ATOM 538 C GLN A 38 3.978 -0.566 13.003 1.00 0.00 C ATOM 539 O GLN A 38 4.258 0.039 11.968 1.00 0.00 O ATOM 540 CB GLN A 38 2.957 0.023 15.209 1.00 0.00 C ATOM 541 CG GLN A 38 1.691 0.265 14.403 1.00 0.00 C ATOM 542 CD GLN A 38 0.444 0.281 15.266 1.00 0.00 C ATOM 543 OE1 GLN A 38 -0.531 1.097 14.882 1.00 0.00 O flip ATOM 544 NE2 GLN A 38 0.359 -0.431 16.267 1.00 0.00 N flip ATOM 0 HA GLN A 38 5.010 -0.514 14.872 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.885 -0.947 15.701 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.027 0.775 15.995 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.776 1.216 13.876 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.594 -0.512 13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.133 -1.043 16.525 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.486 -0.409 16.839 1.00 0.00 H new ATOM 553 N TRP A 39 3.445 -1.783 13.008 1.00 0.00 N ATOM 554 CA TRP A 39 3.151 -2.493 11.768 1.00 0.00 C ATOM 555 C TRP A 39 1.869 -3.309 11.899 1.00 0.00 C ATOM 556 O TRP A 39 1.854 -4.359 12.540 1.00 0.00 O ATOM 557 CB TRP A 39 4.317 -3.409 11.393 1.00 0.00 C ATOM 558 CG TRP A 39 5.594 -2.669 11.132 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.550 -2.336 12.048 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.052 -2.168 9.871 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.575 -1.658 11.433 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.294 -1.543 10.097 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.535 -2.189 8.573 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.023 -0.945 9.073 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.260 -1.594 7.558 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.493 -0.980 7.812 1.00 0.00 C ATOM 0 H TRP A 39 3.208 -2.298 13.856 1.00 0.00 H new ATOM 0 HA TRP A 39 3.010 -1.754 10.979 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.479 -4.126 12.197 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.049 -3.981 10.505 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.507 -2.571 13.101 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.410 -1.299 11.896 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.586 -2.662 8.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.973 -0.470 9.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.869 -1.603 6.551 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.036 -0.525 6.997 1.00 0.00 H new ATOM 577 N ASN A 40 0.796 -2.819 11.287 1.00 0.00 N ATOM 578 CA ASN A 40 -0.491 -3.504 11.336 1.00 0.00 C ATOM 579 C ASN A 40 -0.683 -4.389 10.108 1.00 0.00 C ATOM 580 O ASN A 40 -0.929 -3.898 9.006 1.00 0.00 O ATOM 581 CB ASN A 40 -1.630 -2.487 11.428 1.00 0.00 C ATOM 582 CG ASN A 40 -1.412 -1.474 12.536 1.00 0.00 C ATOM 583 OD1 ASN A 40 -1.533 -1.795 13.718 1.00 0.00 O ATOM 584 ND2 ASN A 40 -1.090 -0.243 12.156 1.00 0.00 N ATOM 0 H ASN A 40 0.792 -1.951 10.752 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.505 -4.136 12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.725 -1.965 10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.570 -3.012 11.599 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.932 0.482 12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.001 -0.022 11.164 1.00 0.00 H new ATOM 591 N LYS A 41 -0.569 -5.698 10.306 1.00 0.00 N ATOM 592 CA LYS A 41 -0.732 -6.654 9.217 1.00 0.00 C ATOM 593 C LYS A 41 -2.120 -6.539 8.595 1.00 0.00 C ATOM 594 O LYS A 41 -3.132 -6.659 9.285 1.00 0.00 O ATOM 595 CB LYS A 41 -0.507 -8.080 9.725 1.00 0.00 C ATOM 596 CG LYS A 41 -0.236 -9.084 8.617 1.00 0.00 C ATOM 597 CD LYS A 41 -0.534 -10.505 9.068 1.00 0.00 C ATOM 598 CE LYS A 41 0.190 -11.526 8.204 1.00 0.00 C ATOM 599 NZ LYS A 41 0.140 -12.890 8.800 1.00 0.00 N ATOM 0 H LYS A 41 -0.364 -6.121 11.211 1.00 0.00 H new ATOM 0 HA LYS A 41 0.010 -6.425 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.334 -8.081 10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.385 -8.399 10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.847 -8.841 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.806 -9.011 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.233 -10.628 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.608 -10.685 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.260 -11.546 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.229 -11.223 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.644 -13.558 8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.592 -12.876 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.851 -13.190 8.898 1.00 0.00 H new ATOM 613 N ARG A 42 -2.160 -6.306 7.287 1.00 0.00 N ATOM 614 CA ARG A 42 -3.424 -6.175 6.572 1.00 0.00 C ATOM 615 C ARG A 42 -3.315 -6.754 5.165 1.00 0.00 C ATOM 616 O ARG A 42 -2.228 -6.811 4.588 1.00 0.00 O ATOM 617 CB ARG A 42 -3.842 -4.705 6.499 1.00 0.00 C ATOM 618 CG ARG A 42 -4.078 -4.071 7.860 1.00 0.00 C ATOM 619 CD ARG A 42 -5.453 -4.421 8.407 1.00 0.00 C ATOM 620 NE ARG A 42 -5.525 -4.249 9.856 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.733 -3.078 10.448 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.888 -1.981 9.718 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.786 -3.002 11.771 1.00 0.00 N ATOM 0 H ARG A 42 -1.331 -6.204 6.701 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.182 -6.735 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.070 -4.142 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.754 -4.624 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.311 -4.408 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.982 -2.988 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.204 -3.792 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.693 -5.453 8.152 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.409 -5.073 10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.848 -2.036 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.048 -1.083 10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.667 -3.843 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.946 -2.102 12.224 1.00 0.00 H new ATOM 637 N TRP A 43 -4.447 -7.183 4.618 1.00 0.00 N ATOM 638 CA TRP A 43 -4.478 -7.759 3.279 1.00 0.00 C ATOM 639 C TRP A 43 -4.287 -6.681 2.218 1.00 0.00 C ATOM 640 O TRP A 43 -5.065 -5.730 2.138 1.00 0.00 O ATOM 641 CB TRP A 43 -5.802 -8.490 3.047 1.00 0.00 C ATOM 642 CG TRP A 43 -5.909 -9.108 1.685 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.886 -8.884 0.758 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.006 -10.052 1.100 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.645 -9.632 -0.369 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.497 -10.357 -0.185 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.829 -10.669 1.534 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.853 -11.251 -1.036 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.191 -11.556 0.689 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.703 -11.840 -0.585 1.00 0.00 C ATOM 0 H TRP A 43 -5.355 -7.143 5.081 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.657 -8.472 3.198 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.916 -9.269 3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.625 -7.789 3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.725 -8.217 0.891 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.226 -9.645 -1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.426 -10.456 2.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.247 -11.472 -2.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.282 -12.039 1.015 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.180 -12.537 -1.223 1.00 0.00 H new ATOM 661 N PHE A 44 -3.247 -6.835 1.405 1.00 0.00 N ATOM 662 CA PHE A 44 -2.953 -5.873 0.349 1.00 0.00 C ATOM 663 C PHE A 44 -3.365 -6.420 -1.015 1.00 0.00 C ATOM 664 O PHE A 44 -3.278 -7.622 -1.266 1.00 0.00 O ATOM 665 CB PHE A 44 -1.462 -5.528 0.344 1.00 0.00 C ATOM 666 CG PHE A 44 -1.105 -4.399 1.267 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.666 -4.316 2.531 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.208 -3.420 0.871 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.339 -3.277 3.382 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.122 -2.378 1.717 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.443 -2.308 2.975 1.00 0.00 C ATOM 0 H PHE A 44 -2.594 -7.617 1.457 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.527 -4.968 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.892 -6.413 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.161 -5.266 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.367 -5.071 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.239 -3.472 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.784 -3.223 4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.820 -1.620 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.185 -1.497 3.640 1.00 0.00 H new ATOM 681 N VAL A 45 -3.813 -5.528 -1.892 1.00 0.00 N ATOM 682 CA VAL A 45 -4.238 -5.920 -3.231 1.00 0.00 C ATOM 683 C VAL A 45 -3.951 -4.816 -4.243 1.00 0.00 C ATOM 684 O VAL A 45 -4.327 -3.661 -4.042 1.00 0.00 O ATOM 685 CB VAL A 45 -5.741 -6.256 -3.267 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.156 -6.697 -4.662 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.071 -7.329 -2.240 1.00 0.00 C ATOM 0 H VAL A 45 -3.891 -4.529 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.668 -6.810 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.303 -5.357 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.221 -6.930 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.956 -5.894 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.589 -7.583 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.137 -7.554 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.501 -8.231 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.812 -6.971 -1.244 1.00 0.00 H new ATOM 697 N LEU A 46 -3.285 -5.180 -5.333 1.00 0.00 N ATOM 698 CA LEU A 46 -2.947 -4.221 -6.379 1.00 0.00 C ATOM 699 C LEU A 46 -3.874 -4.378 -7.581 1.00 0.00 C ATOM 700 O LEU A 46 -3.839 -5.393 -8.276 1.00 0.00 O ATOM 701 CB LEU A 46 -1.492 -4.403 -6.815 1.00 0.00 C ATOM 702 CG LEU A 46 -0.915 -3.301 -7.705 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.841 -1.986 -6.944 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.459 -3.698 -8.222 1.00 0.00 C ATOM 0 H LEU A 46 -2.968 -6.132 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.075 -3.217 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.873 -4.482 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.409 -5.352 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.577 -3.166 -8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.428 -1.213 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.841 -1.694 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.201 -2.107 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.854 -2.902 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.132 -3.861 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.377 -4.616 -8.804 1.00 0.00 H new ATOM 716 N VAL A 47 -4.699 -3.364 -7.821 1.00 0.00 N ATOM 717 CA VAL A 47 -5.633 -3.388 -8.941 1.00 0.00 C ATOM 718 C VAL A 47 -5.743 -2.014 -9.594 1.00 0.00 C ATOM 719 O VAL A 47 -5.882 -1.000 -8.909 1.00 0.00 O ATOM 720 CB VAL A 47 -7.034 -3.846 -8.495 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.066 -3.530 -9.566 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.029 -5.332 -8.168 1.00 0.00 C ATOM 0 H VAL A 47 -4.740 -2.516 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.240 -4.101 -9.665 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.306 -3.300 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.050 -3.861 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.087 -2.455 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.803 -4.047 -10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.027 -5.639 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.736 -5.898 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.320 -5.525 -7.363 1.00 0.00 H new ATOM 732 N ASP A 48 -5.682 -1.989 -10.920 1.00 0.00 N ATOM 733 CA ASP A 48 -5.776 -0.740 -11.666 1.00 0.00 C ATOM 734 C ASP A 48 -4.687 0.236 -11.232 1.00 0.00 C ATOM 735 O ASP A 48 -4.973 1.369 -10.846 1.00 0.00 O ATOM 736 CB ASP A 48 -7.154 -0.106 -11.469 1.00 0.00 C ATOM 737 CG ASP A 48 -7.536 0.815 -12.611 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.470 0.374 -13.777 1.00 0.00 O ATOM 739 OD2 ASP A 48 -7.901 1.979 -12.338 1.00 0.00 O ATOM 0 H ASP A 48 -5.568 -2.820 -11.501 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.636 -0.966 -12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.903 -0.893 -11.375 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.162 0.456 -10.535 1.00 0.00 H new ATOM 744 N ARG A 49 -3.437 -0.212 -11.298 1.00 0.00 N ATOM 745 CA ARG A 49 -2.306 0.621 -10.910 1.00 0.00 C ATOM 746 C ARG A 49 -2.581 1.330 -9.587 1.00 0.00 C ATOM 747 O ARG A 49 -2.053 2.413 -9.330 1.00 0.00 O ATOM 748 CB ARG A 49 -2.005 1.651 -12.000 1.00 0.00 C ATOM 749 CG ARG A 49 -1.414 1.046 -13.263 1.00 0.00 C ATOM 750 CD ARG A 49 -0.873 2.120 -14.194 1.00 0.00 C ATOM 751 NE ARG A 49 -0.851 1.677 -15.586 1.00 0.00 N ATOM 752 CZ ARG A 49 0.090 0.886 -16.090 1.00 0.00 C ATOM 753 NH1 ARG A 49 1.080 0.454 -15.322 1.00 0.00 N ATOM 754 NH2 ARG A 49 0.041 0.526 -17.367 1.00 0.00 N ATOM 0 H ARG A 49 -3.183 -1.147 -11.617 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.438 -0.026 -10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.925 2.177 -12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.312 2.394 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.613 0.356 -12.997 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.177 0.464 -13.781 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.487 3.017 -14.109 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.136 2.394 -13.885 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.599 1.992 -16.204 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.121 0.729 -14.341 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.801 -0.153 -15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.719 0.857 -17.961 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.764 -0.081 -17.754 1.00 0.00 H new ATOM 768 N CYS A 50 -3.411 0.714 -8.753 1.00 0.00 N ATOM 769 CA CYS A 50 -3.758 1.287 -7.457 1.00 0.00 C ATOM 770 C CYS A 50 -3.648 0.240 -6.353 1.00 0.00 C ATOM 771 O CYS A 50 -3.867 -0.949 -6.587 1.00 0.00 O ATOM 772 CB CYS A 50 -5.175 1.861 -7.493 1.00 0.00 C ATOM 773 SG CYS A 50 -5.309 3.442 -8.361 1.00 0.00 S ATOM 0 H CYS A 50 -3.856 -0.182 -8.951 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.054 2.091 -7.242 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.836 1.139 -7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.530 1.989 -6.470 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.207 3.244 -9.642 1.00 0.00 H new ATOM 779 N LEU A 51 -3.307 0.690 -5.151 1.00 0.00 N ATOM 780 CA LEU A 51 -3.166 -0.207 -4.010 1.00 0.00 C ATOM 781 C LEU A 51 -4.394 -0.137 -3.107 1.00 0.00 C ATOM 782 O LEU A 51 -4.825 0.946 -2.711 1.00 0.00 O ATOM 783 CB LEU A 51 -1.911 0.145 -3.210 1.00 0.00 C ATOM 784 CG LEU A 51 -1.295 -0.991 -2.392 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.152 -0.675 -2.045 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.107 -1.238 -1.128 1.00 0.00 C ATOM 0 H LEU A 51 -3.123 1.671 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.074 -1.225 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.156 0.518 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.154 0.963 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.312 -1.899 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.574 -1.494 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.727 -0.548 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.194 0.244 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.655 -2.049 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.121 -0.332 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.127 -1.509 -1.398 1.00 0.00 H new ATOM 798 N PHE A 52 -4.951 -1.300 -2.784 1.00 0.00 N ATOM 799 CA PHE A 52 -6.129 -1.370 -1.926 1.00 0.00 C ATOM 800 C PHE A 52 -5.928 -2.391 -0.810 1.00 0.00 C ATOM 801 O PHE A 52 -5.720 -3.577 -1.068 1.00 0.00 O ATOM 802 CB PHE A 52 -7.365 -1.736 -2.751 1.00 0.00 C ATOM 803 CG PHE A 52 -7.579 -0.843 -3.939 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.697 0.528 -3.779 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.662 -1.374 -5.216 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.894 1.354 -4.870 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.858 -0.554 -6.311 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.975 0.811 -6.138 1.00 0.00 C ATOM 0 H PHE A 52 -4.606 -2.206 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.279 -0.389 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.271 -2.767 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.246 -1.692 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.634 0.957 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.573 -2.441 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.984 2.421 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.920 -0.980 -7.301 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.130 1.453 -6.992 1.00 0.00 H new ATOM 818 N TYR A 53 -5.991 -1.921 0.431 1.00 0.00 N ATOM 819 CA TYR A 53 -5.813 -2.792 1.588 1.00 0.00 C ATOM 820 C TYR A 53 -7.143 -3.040 2.292 1.00 0.00 C ATOM 821 O TYR A 53 -7.846 -2.100 2.665 1.00 0.00 O ATOM 822 CB TYR A 53 -4.812 -2.175 2.566 1.00 0.00 C ATOM 823 CG TYR A 53 -5.346 -0.963 3.295 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.212 0.311 2.756 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.984 -1.091 4.522 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.697 1.421 3.419 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.474 0.014 5.191 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.328 1.268 4.636 1.00 0.00 C ATOM 829 OH TYR A 53 -6.814 2.372 5.298 1.00 0.00 O ATOM 0 H TYR A 53 -6.164 -0.943 0.662 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.425 -3.748 1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.520 -2.929 3.297 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.911 -1.893 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.720 0.435 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.099 -2.071 4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.583 2.404 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.969 -0.104 6.144 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.231 2.092 6.140 1.00 0.00 H new ATOM 839 N TYR A 54 -7.482 -4.312 2.471 1.00 0.00 N ATOM 840 CA TYR A 54 -8.728 -4.686 3.129 1.00 0.00 C ATOM 841 C TYR A 54 -8.457 -5.313 4.493 1.00 0.00 C ATOM 842 O TYR A 54 -7.447 -5.989 4.690 1.00 0.00 O ATOM 843 CB TYR A 54 -9.518 -5.661 2.255 1.00 0.00 C ATOM 844 CG TYR A 54 -9.975 -5.064 0.943 1.00 0.00 C ATOM 845 CD1 TYR A 54 -9.159 -5.102 -0.182 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.222 -4.462 0.827 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.572 -4.557 -1.382 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.643 -3.916 -0.370 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.815 -3.966 -1.471 1.00 0.00 C ATOM 850 OH TYR A 54 -11.231 -3.422 -2.665 1.00 0.00 O ATOM 0 H TYR A 54 -6.911 -5.102 2.169 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.317 -3.781 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.900 -6.536 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.390 -6.009 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.186 -5.566 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.873 -4.420 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.925 -4.593 -2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.616 -3.452 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.208 -3.470 -2.724 1.00 0.00 H new ATOM 860 N LYS A 55 -9.368 -5.085 5.433 1.00 0.00 N ATOM 861 CA LYS A 55 -9.231 -5.628 6.779 1.00 0.00 C ATOM 862 C LYS A 55 -9.037 -7.141 6.739 1.00 0.00 C ATOM 863 O LYS A 55 -8.396 -7.718 7.617 1.00 0.00 O ATOM 864 CB LYS A 55 -10.464 -5.284 7.618 1.00 0.00 C ATOM 865 CG LYS A 55 -11.688 -6.112 7.268 1.00 0.00 C ATOM 866 CD LYS A 55 -12.535 -5.434 6.204 1.00 0.00 C ATOM 867 CE LYS A 55 -14.005 -5.793 6.349 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.893 -4.722 5.820 1.00 0.00 N ATOM 0 H LYS A 55 -10.210 -4.527 5.287 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.350 -5.178 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.228 -5.428 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.700 -4.228 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.375 -7.094 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.288 -6.273 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.415 -4.353 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.183 -5.729 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.205 -6.725 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.234 -5.968 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.887 -5.005 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.721 -3.839 6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.693 -4.572 4.810 1.00 0.00 H new ATOM 882 N ASP A 56 -9.593 -7.777 5.713 1.00 0.00 N ATOM 883 CA ASP A 56 -9.478 -9.222 5.557 1.00 0.00 C ATOM 884 C ASP A 56 -9.418 -9.606 4.082 1.00 0.00 C ATOM 885 O ASP A 56 -9.697 -8.788 3.206 1.00 0.00 O ATOM 886 CB ASP A 56 -10.657 -9.924 6.232 1.00 0.00 C ATOM 887 CG ASP A 56 -11.975 -9.221 5.974 1.00 0.00 C ATOM 888 OD1 ASP A 56 -12.138 -8.653 4.874 1.00 0.00 O ATOM 889 OD2 ASP A 56 -12.843 -9.238 6.872 1.00 0.00 O ATOM 0 H ASP A 56 -10.127 -7.314 4.978 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.552 -9.542 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.720 -10.951 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.480 -9.974 7.306 1.00 0.00 H new ATOM 894 N GLU A 57 -9.052 -10.856 3.815 1.00 0.00 N ATOM 895 CA GLU A 57 -8.954 -11.347 2.446 1.00 0.00 C ATOM 896 C GLU A 57 -10.321 -11.344 1.767 1.00 0.00 C ATOM 897 O GLU A 57 -10.423 -11.493 0.550 1.00 0.00 O ATOM 898 CB GLU A 57 -8.366 -12.759 2.428 1.00 0.00 C ATOM 899 CG GLU A 57 -9.144 -13.753 3.274 1.00 0.00 C ATOM 900 CD GLU A 57 -8.381 -15.042 3.509 1.00 0.00 C ATOM 901 OE1 GLU A 57 -8.442 -15.935 2.637 1.00 0.00 O ATOM 902 OE2 GLU A 57 -7.723 -15.159 4.564 1.00 0.00 O ATOM 0 H GLU A 57 -8.819 -11.546 4.529 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.293 -10.679 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.334 -13.117 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.336 -12.719 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.384 -13.297 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.090 -13.980 2.783 1.00 0.00 H new ATOM 909 N LYS A 58 -11.370 -11.174 2.565 1.00 0.00 N ATOM 910 CA LYS A 58 -12.731 -11.151 2.044 1.00 0.00 C ATOM 911 C LYS A 58 -12.902 -10.036 1.017 1.00 0.00 C ATOM 912 O LYS A 58 -13.611 -10.199 0.024 1.00 0.00 O ATOM 913 CB LYS A 58 -13.733 -10.964 3.186 1.00 0.00 C ATOM 914 CG LYS A 58 -13.972 -12.226 3.998 1.00 0.00 C ATOM 915 CD LYS A 58 -15.290 -12.163 4.751 1.00 0.00 C ATOM 916 CE LYS A 58 -15.212 -11.207 5.932 1.00 0.00 C ATOM 917 NZ LYS A 58 -14.347 -11.739 7.020 1.00 0.00 N ATOM 0 H LYS A 58 -11.303 -11.050 3.575 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.922 -12.106 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.373 -10.178 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.682 -10.622 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.971 -13.092 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.154 -12.365 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.082 -11.843 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.556 -13.159 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.823 -10.246 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.214 -11.027 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.925 -11.919 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.903 -12.626 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.608 -11.044 7.247 1.00 0.00 H new ATOM 931 N GLU A 59 -12.247 -8.906 1.262 1.00 0.00 N ATOM 932 CA GLU A 59 -12.327 -7.766 0.357 1.00 0.00 C ATOM 933 C GLU A 59 -13.764 -7.267 0.236 1.00 0.00 C ATOM 934 O GLU A 59 -14.286 -7.112 -0.868 1.00 0.00 O ATOM 935 CB GLU A 59 -11.788 -8.144 -1.025 1.00 0.00 C ATOM 936 CG GLU A 59 -10.290 -8.397 -1.046 1.00 0.00 C ATOM 937 CD GLU A 59 -9.870 -9.319 -2.174 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.637 -8.820 -3.294 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.773 -10.541 -1.935 1.00 0.00 O ATOM 0 H GLU A 59 -11.655 -8.756 2.079 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.716 -6.964 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.304 -9.038 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.023 -7.345 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.766 -7.446 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.985 -8.832 -0.094 1.00 0.00 H new ATOM 946 N GLU A 60 -14.396 -7.018 1.378 1.00 0.00 N ATOM 947 CA GLU A 60 -15.773 -6.538 1.400 1.00 0.00 C ATOM 948 C GLU A 60 -15.835 -5.049 1.074 1.00 0.00 C ATOM 949 O GLU A 60 -16.612 -4.621 0.221 1.00 0.00 O ATOM 950 CB GLU A 60 -16.406 -6.799 2.768 1.00 0.00 C ATOM 951 CG GLU A 60 -16.554 -8.275 3.098 1.00 0.00 C ATOM 952 CD GLU A 60 -17.302 -8.510 4.396 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.546 -8.615 4.354 1.00 0.00 O ATOM 954 OE2 GLU A 60 -16.643 -8.590 5.454 1.00 0.00 O ATOM 0 H GLU A 60 -13.977 -7.141 2.300 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.333 -7.082 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.798 -6.322 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.388 -6.328 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.080 -8.774 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.566 -8.729 3.165 1.00 0.00 H new ATOM 961 N SER A 61 -15.011 -4.264 1.761 1.00 0.00 N ATOM 962 CA SER A 61 -14.974 -2.822 1.549 1.00 0.00 C ATOM 963 C SER A 61 -13.559 -2.281 1.730 1.00 0.00 C ATOM 964 O SER A 61 -12.844 -2.678 2.650 1.00 0.00 O ATOM 965 CB SER A 61 -15.928 -2.119 2.517 1.00 0.00 C ATOM 966 OG SER A 61 -16.396 -0.896 1.974 1.00 0.00 O ATOM 0 H SER A 61 -14.360 -4.603 2.469 1.00 0.00 H new ATOM 0 HA SER A 61 -15.292 -2.622 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.774 -2.771 2.736 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.418 -1.930 3.462 1.00 0.00 H new ATOM 0 HG SER A 61 -17.005 -0.467 2.611 1.00 0.00 H new ATOM 972 N ILE A 62 -13.161 -1.374 0.844 1.00 0.00 N ATOM 973 CA ILE A 62 -11.833 -0.779 0.905 1.00 0.00 C ATOM 974 C ILE A 62 -11.719 0.193 2.075 1.00 0.00 C ATOM 975 O ILE A 62 -12.439 1.191 2.139 1.00 0.00 O ATOM 976 CB ILE A 62 -11.488 -0.037 -0.400 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.445 -1.017 -1.574 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.158 0.689 -0.260 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.597 -0.351 -2.923 1.00 0.00 C ATOM 0 H ILE A 62 -13.740 -1.036 0.075 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.127 -1.597 1.046 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.265 0.702 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.500 -1.559 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.238 -1.754 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.928 1.209 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.222 1.412 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.371 -0.033 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.557 -1.106 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.555 0.168 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.789 0.366 -3.068 1.00 0.00 H new ATOM 991 N LEU A 63 -10.810 -0.103 2.997 1.00 0.00 N ATOM 992 CA LEU A 63 -10.600 0.746 4.165 1.00 0.00 C ATOM 993 C LEU A 63 -9.890 2.039 3.778 1.00 0.00 C ATOM 994 O LEU A 63 -10.266 3.123 4.222 1.00 0.00 O ATOM 995 CB LEU A 63 -9.785 -0.001 5.222 1.00 0.00 C ATOM 996 CG LEU A 63 -10.328 -1.365 5.648 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.392 -2.023 6.650 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.725 -1.225 6.233 1.00 0.00 C ATOM 0 H LEU A 63 -10.206 -0.924 2.959 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.576 1.000 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.773 -0.138 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.710 0.630 6.107 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.388 -2.002 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.795 -2.993 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.411 -2.160 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.299 -1.389 7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.095 -2.206 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.691 -0.571 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.392 -0.798 5.484 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.861 1.916 2.944 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.116 3.083 2.509 1.00 0.00 C ATOM 1012 C GLY A 64 -7.429 2.868 1.175 1.00 0.00 C ATOM 1013 O GLY A 64 -6.665 1.917 1.008 1.00 0.00 O ATOM 0 H GLY A 64 -8.531 1.030 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.792 3.934 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.370 3.335 3.262 1.00 0.00 H new ATOM 1017 N SER A 65 -7.703 3.752 0.221 1.00 0.00 N ATOM 1018 CA SER A 65 -7.110 3.651 -1.108 1.00 0.00 C ATOM 1019 C SER A 65 -5.919 4.594 -1.244 1.00 0.00 C ATOM 1020 O SER A 65 -5.950 5.726 -0.759 1.00 0.00 O ATOM 1021 CB SER A 65 -8.153 3.971 -2.180 1.00 0.00 C ATOM 1022 OG SER A 65 -8.793 5.207 -1.916 1.00 0.00 O ATOM 0 H SER A 65 -8.332 4.546 0.343 1.00 0.00 H new ATOM 0 HA SER A 65 -6.759 2.628 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.674 4.008 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.896 3.174 -2.218 1.00 0.00 H new ATOM 0 HG SER A 65 -9.454 5.389 -2.616 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.869 4.120 -1.906 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.668 4.920 -2.107 1.00 0.00 C ATOM 1030 C ILE A 66 -3.124 4.749 -3.522 1.00 0.00 C ATOM 1031 O ILE A 66 -2.741 3.656 -3.939 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.566 4.546 -1.098 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.058 4.772 0.334 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.306 5.355 -1.365 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.178 4.131 1.383 1.00 0.00 C ATOM 0 H ILE A 66 -4.826 3.185 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.953 5.961 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.327 3.489 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.115 5.844 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.069 4.377 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.537 5.079 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.948 5.149 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.529 6.418 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.587 4.332 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.140 3.054 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.172 4.544 1.315 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.088 5.856 -4.279 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.590 5.856 -5.658 1.00 0.00 C ATOM 1049 C PRO A 67 -1.083 5.638 -5.730 1.00 0.00 C ATOM 1050 O PRO A 67 -0.310 6.357 -5.096 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.954 7.253 -6.167 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.027 8.095 -4.940 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.528 7.193 -3.847 1.00 0.00 C ATOM 0 HA PRO A 67 -3.022 5.047 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.203 7.630 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.905 7.245 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.049 8.505 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.699 8.941 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.105 7.462 -2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.612 7.246 -3.747 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.670 4.643 -6.507 1.00 0.00 N ATOM 1062 CA LEU A 68 0.746 4.331 -6.664 1.00 0.00 C ATOM 1063 C LEU A 68 1.283 4.880 -7.981 1.00 0.00 C ATOM 1064 O LEU A 68 2.484 5.113 -8.126 1.00 0.00 O ATOM 1065 CB LEU A 68 0.965 2.818 -6.601 1.00 0.00 C ATOM 1066 CG LEU A 68 0.770 2.167 -5.232 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.739 0.652 -5.360 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.869 2.601 -4.273 1.00 0.00 C ATOM 0 H LEU A 68 -1.296 4.038 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 68 1.290 4.805 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.284 2.343 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.978 2.603 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.187 2.496 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.599 0.206 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.085 0.359 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.680 0.304 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.714 2.128 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.839 2.302 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.843 3.684 -4.156 1.00 0.00 H new ATOM 1080 N LEU A 69 0.386 5.086 -8.939 1.00 0.00 N ATOM 1081 CA LEU A 69 0.769 5.611 -10.246 1.00 0.00 C ATOM 1082 C LEU A 69 1.482 6.952 -10.106 1.00 0.00 C ATOM 1083 O LEU A 69 2.079 7.451 -11.060 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.465 5.767 -11.136 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.382 6.846 -12.216 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.625 6.453 -13.286 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.751 7.089 -12.834 1.00 0.00 C ATOM 0 H LEU A 69 -0.611 4.898 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 69 1.456 4.902 -10.708 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.662 4.811 -11.621 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.322 5.984 -10.499 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.046 7.773 -11.751 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.671 7.233 -14.046 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.609 6.330 -12.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.318 5.514 -13.747 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.673 7.860 -13.600 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.116 6.166 -13.284 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.446 7.416 -12.061 1.00 0.00 H new ATOM 1099 N SER A 70 1.416 7.530 -8.911 1.00 0.00 N ATOM 1100 CA SER A 70 2.054 8.814 -8.646 1.00 0.00 C ATOM 1101 C SER A 70 3.094 8.687 -7.537 1.00 0.00 C ATOM 1102 O SER A 70 3.291 9.609 -6.746 1.00 0.00 O ATOM 1103 CB SER A 70 1.005 9.859 -8.260 1.00 0.00 C ATOM 1104 OG SER A 70 -0.015 9.943 -9.240 1.00 0.00 O ATOM 0 H SER A 70 0.927 7.129 -8.111 1.00 0.00 H new ATOM 0 HA SER A 70 2.558 9.135 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.567 9.600 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.482 10.832 -8.143 1.00 0.00 H new ATOM 0 HG SER A 70 -0.674 10.616 -8.970 1.00 0.00 H new ATOM 1110 N PHE A 71 3.756 7.536 -7.485 1.00 0.00 N ATOM 1111 CA PHE A 71 4.775 7.285 -6.473 1.00 0.00 C ATOM 1112 C PHE A 71 5.987 6.586 -7.082 1.00 0.00 C ATOM 1113 O PHE A 71 5.983 6.227 -8.260 1.00 0.00 O ATOM 1114 CB PHE A 71 4.199 6.436 -5.338 1.00 0.00 C ATOM 1115 CG PHE A 71 3.550 7.246 -4.253 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.436 8.024 -4.524 1.00 0.00 C ATOM 1117 CD2 PHE A 71 4.053 7.229 -2.962 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.837 8.771 -3.527 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.457 7.973 -1.961 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.347 8.745 -2.244 1.00 0.00 C ATOM 0 H PHE A 71 3.605 6.762 -8.132 1.00 0.00 H new ATOM 0 HA PHE A 71 5.096 8.246 -6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.466 5.742 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.998 5.835 -4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.031 8.047 -5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.921 6.627 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.970 9.375 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.859 7.951 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.879 9.327 -1.464 1.00 0.00 H new ATOM 1130 N ARG A 72 7.023 6.397 -6.271 1.00 0.00 N ATOM 1131 CA ARG A 72 8.243 5.742 -6.730 1.00 0.00 C ATOM 1132 C ARG A 72 8.723 4.712 -5.711 1.00 0.00 C ATOM 1133 O ARG A 72 9.570 5.006 -4.868 1.00 0.00 O ATOM 1134 CB ARG A 72 9.340 6.779 -6.979 1.00 0.00 C ATOM 1135 CG ARG A 72 10.641 6.178 -7.486 1.00 0.00 C ATOM 1136 CD ARG A 72 11.730 7.232 -7.611 1.00 0.00 C ATOM 1137 NE ARG A 72 11.433 8.204 -8.660 1.00 0.00 N ATOM 1138 CZ ARG A 72 11.659 7.985 -9.950 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.180 6.833 -10.349 1.00 0.00 N ATOM 1140 NH2 ARG A 72 11.363 8.918 -10.845 1.00 0.00 N ATOM 0 H ARG A 72 7.042 6.688 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 72 8.020 5.227 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.980 7.510 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.535 7.319 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.970 5.393 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.473 5.710 -8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.844 7.750 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.682 6.746 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 72 11.030 9.100 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.408 6.112 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.353 6.668 -11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.961 9.805 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.537 8.748 -11.836 1.00 0.00 H new ATOM 1154 N VAL A 73 8.175 3.504 -5.796 1.00 0.00 N ATOM 1155 CA VAL A 73 8.548 2.430 -4.883 1.00 0.00 C ATOM 1156 C VAL A 73 10.050 2.170 -4.924 1.00 0.00 C ATOM 1157 O VAL A 73 10.677 2.261 -5.979 1.00 0.00 O ATOM 1158 CB VAL A 73 7.803 1.124 -5.219 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.144 0.040 -4.208 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.302 1.366 -5.268 1.00 0.00 C ATOM 0 H VAL A 73 7.471 3.245 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 73 8.266 2.754 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 73 8.126 0.784 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.609 -0.875 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.217 -0.150 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.851 0.368 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.791 0.433 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.960 1.730 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.078 2.109 -6.034 1.00 0.00 H new ATOM 1170 N ALA A 74 10.620 1.847 -3.768 1.00 0.00 N ATOM 1171 CA ALA A 74 12.048 1.571 -3.672 1.00 0.00 C ATOM 1172 C ALA A 74 12.398 0.952 -2.322 1.00 0.00 C ATOM 1173 O ALA A 74 11.930 1.409 -1.280 1.00 0.00 O ATOM 1174 CB ALA A 74 12.848 2.846 -3.893 1.00 0.00 C ATOM 0 H ALA A 74 10.115 1.770 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 74 12.307 0.853 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.913 2.625 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.629 3.246 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.576 3.582 -3.136 1.00 0.00 H new ATOM 1180 N ALA A 75 13.223 -0.089 -2.351 1.00 0.00 N ATOM 1181 CA ALA A 75 13.636 -0.770 -1.129 1.00 0.00 C ATOM 1182 C ALA A 75 14.323 0.195 -0.169 1.00 0.00 C ATOM 1183 O ALA A 75 15.136 1.023 -0.580 1.00 0.00 O ATOM 1184 CB ALA A 75 14.558 -1.934 -1.460 1.00 0.00 C ATOM 0 H ALA A 75 13.619 -0.479 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 75 12.743 -1.156 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.859 -2.433 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.034 -2.642 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.443 -1.562 -1.976 1.00 0.00 H new ATOM 1190 N VAL A 76 13.990 0.084 1.113 1.00 0.00 N ATOM 1191 CA VAL A 76 14.576 0.947 2.133 1.00 0.00 C ATOM 1192 C VAL A 76 16.088 1.042 1.969 1.00 0.00 C ATOM 1193 O VAL A 76 16.722 0.134 1.432 1.00 0.00 O ATOM 1194 CB VAL A 76 14.255 0.438 3.550 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.804 0.727 3.906 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.553 -1.049 3.662 1.00 0.00 C ATOM 0 H VAL A 76 13.318 -0.595 1.470 1.00 0.00 H new ATOM 0 HA VAL A 76 14.137 1.936 2.002 1.00 0.00 H new ATOM 0 HB VAL A 76 14.891 0.968 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.596 0.360 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.627 1.802 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.148 0.226 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.320 -1.392 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.944 -1.597 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.608 -1.225 3.453 1.00 0.00 H new ATOM 1206 N GLN A 77 16.660 2.148 2.436 1.00 0.00 N ATOM 1207 CA GLN A 77 18.099 2.362 2.341 1.00 0.00 C ATOM 1208 C GLN A 77 18.820 1.752 3.539 1.00 0.00 C ATOM 1209 O GLN A 77 18.236 1.534 4.601 1.00 0.00 O ATOM 1210 CB GLN A 77 18.409 3.857 2.251 1.00 0.00 C ATOM 1211 CG GLN A 77 18.215 4.436 0.859 1.00 0.00 C ATOM 1212 CD GLN A 77 18.643 5.887 0.766 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.146 6.461 1.732 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.446 6.489 -0.402 1.00 0.00 N ATOM 0 H GLN A 77 16.149 2.909 2.883 1.00 0.00 H new ATOM 0 HA GLN A 77 18.455 1.870 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.770 4.395 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.439 4.026 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.785 3.846 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.165 4.352 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.026 5.975 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.715 7.465 -0.524 1.00 0.00 H new ATOM 1223 N PRO A 78 20.120 1.470 3.367 1.00 0.00 N ATOM 1224 CA PRO A 78 20.949 0.881 4.423 1.00 0.00 C ATOM 1225 C PRO A 78 21.211 1.857 5.565 1.00 0.00 C ATOM 1226 O PRO A 78 21.923 1.537 6.517 1.00 0.00 O ATOM 1227 CB PRO A 78 22.255 0.540 3.701 1.00 0.00 C ATOM 1228 CG PRO A 78 22.308 1.483 2.549 1.00 0.00 C ATOM 1229 CD PRO A 78 20.881 1.704 2.128 1.00 0.00 C ATOM 0 HA PRO A 78 20.467 0.021 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.116 0.668 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.262 -0.497 3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.780 2.423 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.896 1.067 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.726 2.713 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.584 1.015 1.338 1.00 0.00 H new ATOM 1237 N SER A 79 20.631 3.049 5.464 1.00 0.00 N ATOM 1238 CA SER A 79 20.805 4.073 6.488 1.00 0.00 C ATOM 1239 C SER A 79 19.516 4.276 7.278 1.00 0.00 C ATOM 1240 O SER A 79 19.525 4.855 8.364 1.00 0.00 O ATOM 1241 CB SER A 79 21.240 5.393 5.849 1.00 0.00 C ATOM 1242 OG SER A 79 20.162 6.008 5.165 1.00 0.00 O ATOM 0 H SER A 79 20.037 3.329 4.684 1.00 0.00 H new ATOM 0 HA SER A 79 21.582 3.737 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.618 6.066 6.619 1.00 0.00 H new ATOM 0 HB3 SER A 79 22.060 5.211 5.154 1.00 0.00 H new ATOM 0 HG SER A 79 20.465 6.851 4.767 1.00 0.00 H new ATOM 1248 N ASP A 80 18.408 3.797 6.723 1.00 0.00 N ATOM 1249 CA ASP A 80 17.110 3.925 7.374 1.00 0.00 C ATOM 1250 C ASP A 80 17.159 3.377 8.797 1.00 0.00 C ATOM 1251 O ASP A 80 18.129 2.730 9.190 1.00 0.00 O ATOM 1252 CB ASP A 80 16.037 3.191 6.568 1.00 0.00 C ATOM 1253 CG ASP A 80 15.981 1.711 6.892 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.985 1.179 7.410 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.933 1.085 6.627 1.00 0.00 O ATOM 0 H ASP A 80 18.383 3.316 5.824 1.00 0.00 H new ATOM 0 HA ASP A 80 16.857 4.984 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.065 3.641 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.234 3.320 5.504 1.00 0.00 H new ATOM 1260 N ASN A 81 16.107 3.640 9.564 1.00 0.00 N ATOM 1261 CA ASN A 81 16.031 3.175 10.944 1.00 0.00 C ATOM 1262 C ASN A 81 14.919 2.143 11.110 1.00 0.00 C ATOM 1263 O ASN A 81 14.276 2.072 12.158 1.00 0.00 O ATOM 1264 CB ASN A 81 15.793 4.354 11.890 1.00 0.00 C ATOM 1265 CG ASN A 81 14.387 4.910 11.779 1.00 0.00 C ATOM 1266 OD1 ASN A 81 13.452 4.390 12.388 1.00 0.00 O ATOM 1267 ND2 ASN A 81 14.231 5.972 10.997 1.00 0.00 N ATOM 0 H ASN A 81 15.295 4.173 9.253 1.00 0.00 H new ATOM 0 HA ASN A 81 16.981 2.703 11.195 1.00 0.00 H new ATOM 0 HB2 ASN A 81 15.975 4.035 12.916 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.511 5.144 11.670 1.00 0.00 H new ATOM 0 HD21 ASN A 81 13.308 6.390 10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.035 6.370 10.511 1.00 0.00 H new ATOM 1274 N ILE A 82 14.700 1.346 10.070 1.00 0.00 N ATOM 1275 CA ILE A 82 13.667 0.317 10.101 1.00 0.00 C ATOM 1276 C ILE A 82 14.215 -0.995 10.653 1.00 0.00 C ATOM 1277 O ILE A 82 14.925 -1.723 9.960 1.00 0.00 O ATOM 1278 CB ILE A 82 13.080 0.066 8.699 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.554 1.373 8.102 1.00 0.00 C ATOM 1280 CG2 ILE A 82 11.974 -0.975 8.767 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.237 1.821 8.695 1.00 0.00 C ATOM 0 H ILE A 82 15.223 1.393 9.196 1.00 0.00 H new ATOM 0 HA ILE A 82 12.877 0.683 10.757 1.00 0.00 H new ATOM 0 HB ILE A 82 13.870 -0.315 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.296 2.157 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.435 1.249 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.569 -1.141 7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.378 -1.910 9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.181 -0.621 9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.925 2.754 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.481 1.056 8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.355 1.977 9.767 1.00 0.00 H new ATOM 1293 N SER A 83 13.878 -1.290 11.904 1.00 0.00 N ATOM 1294 CA SER A 83 14.338 -2.514 12.551 1.00 0.00 C ATOM 1295 C SER A 83 14.285 -3.692 11.583 1.00 0.00 C ATOM 1296 O SER A 83 15.180 -4.538 11.569 1.00 0.00 O ATOM 1297 CB SER A 83 13.486 -2.814 13.785 1.00 0.00 C ATOM 1298 OG SER A 83 13.679 -1.834 14.790 1.00 0.00 O ATOM 0 H SER A 83 13.288 -0.699 12.490 1.00 0.00 H new ATOM 0 HA SER A 83 15.373 -2.366 12.860 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.433 -2.849 13.504 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.743 -3.798 14.178 1.00 0.00 H new ATOM 0 HG SER A 83 13.122 -2.048 15.567 1.00 0.00 H new ATOM 1304 N ARG A 84 13.230 -3.740 10.776 1.00 0.00 N ATOM 1305 CA ARG A 84 13.059 -4.815 9.806 1.00 0.00 C ATOM 1306 C ARG A 84 14.186 -4.803 8.777 1.00 0.00 C ATOM 1307 O ARG A 84 15.064 -3.940 8.811 1.00 0.00 O ATOM 1308 CB ARG A 84 11.708 -4.683 9.100 1.00 0.00 C ATOM 1309 CG ARG A 84 10.517 -4.889 10.022 1.00 0.00 C ATOM 1310 CD ARG A 84 9.313 -4.080 9.565 1.00 0.00 C ATOM 1311 NE ARG A 84 8.054 -4.686 9.990 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.664 -4.758 11.257 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.432 -4.265 12.219 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.504 -5.325 11.565 1.00 0.00 N ATOM 0 H ARG A 84 12.481 -3.047 10.775 1.00 0.00 H new ATOM 0 HA ARG A 84 13.090 -5.763 10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.639 -3.694 8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.659 -5.409 8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.256 -5.947 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.787 -4.600 11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.382 -3.069 9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.325 -3.994 8.478 1.00 0.00 H new ATOM 0 HE ARG A 84 7.441 -5.075 9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.324 -3.829 11.986 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.130 -4.321 13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.911 -5.706 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.206 -5.380 12.539 1.00 0.00 H new ATOM 1328 N LYS A 85 14.155 -5.766 7.862 1.00 0.00 N ATOM 1329 CA LYS A 85 15.172 -5.867 6.822 1.00 0.00 C ATOM 1330 C LYS A 85 14.548 -5.740 5.436 1.00 0.00 C ATOM 1331 O LYS A 85 14.820 -4.785 4.707 1.00 0.00 O ATOM 1332 CB LYS A 85 15.918 -7.199 6.937 1.00 0.00 C ATOM 1333 CG LYS A 85 17.136 -7.137 7.842 1.00 0.00 C ATOM 1334 CD LYS A 85 18.074 -8.308 7.594 1.00 0.00 C ATOM 1335 CE LYS A 85 17.728 -9.495 8.480 1.00 0.00 C ATOM 1336 NZ LYS A 85 16.696 -10.370 7.857 1.00 0.00 N ATOM 0 H LYS A 85 13.436 -6.488 7.820 1.00 0.00 H new ATOM 0 HA LYS A 85 15.879 -5.048 6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.233 -7.958 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.230 -7.518 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.668 -6.201 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.817 -7.139 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.018 -8.605 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.102 -7.999 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.628 -10.077 8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.366 -9.136 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.970 -10.607 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.253 -9.871 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.143 -11.244 7.514 1.00 0.00 H new ATOM 1350 N HIS A 86 13.709 -6.707 5.079 1.00 0.00 N ATOM 1351 CA HIS A 86 13.044 -6.701 3.781 1.00 0.00 C ATOM 1352 C HIS A 86 11.883 -5.711 3.769 1.00 0.00 C ATOM 1353 O HIS A 86 10.724 -6.094 3.937 1.00 0.00 O ATOM 1354 CB HIS A 86 12.538 -8.102 3.437 1.00 0.00 C ATOM 1355 CG HIS A 86 13.370 -9.200 4.026 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.696 -9.397 3.701 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.058 -10.163 4.925 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.162 -10.434 4.373 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.188 -10.916 5.124 1.00 0.00 N ATOM 0 H HIS A 86 13.474 -7.504 5.670 1.00 0.00 H new ATOM 0 HA HIS A 86 13.771 -6.391 3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.512 -8.206 3.790 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.516 -8.216 2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.098 -10.311 5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.168 -10.822 4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.264 -11.718 5.750 1.00 0.00 H new ATOM 1368 N THR A 87 12.201 -4.436 3.571 1.00 0.00 N ATOM 1369 CA THR A 87 11.185 -3.391 3.540 1.00 0.00 C ATOM 1370 C THR A 87 11.352 -2.498 2.316 1.00 0.00 C ATOM 1371 O THR A 87 12.437 -2.415 1.739 1.00 0.00 O ATOM 1372 CB THR A 87 11.237 -2.519 4.808 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.910 -3.307 5.958 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.272 -1.348 4.700 1.00 0.00 C ATOM 0 H THR A 87 13.154 -4.102 3.430 1.00 0.00 H new ATOM 0 HA THR A 87 10.218 -3.892 3.492 1.00 0.00 H new ATOM 0 HB THR A 87 12.249 -2.127 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.486 -2.739 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.327 -0.747 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.540 -0.733 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.257 -1.724 4.574 1.00 0.00 H new ATOM 1382 N PHE A 88 10.272 -1.831 1.924 1.00 0.00 N ATOM 1383 CA PHE A 88 10.299 -0.943 0.767 1.00 0.00 C ATOM 1384 C PHE A 88 9.394 0.265 0.987 1.00 0.00 C ATOM 1385 O PHE A 88 8.239 0.126 1.389 1.00 0.00 O ATOM 1386 CB PHE A 88 9.864 -1.697 -0.491 1.00 0.00 C ATOM 1387 CG PHE A 88 8.510 -2.335 -0.370 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.305 -3.397 0.496 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.442 -1.872 -1.122 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.059 -3.986 0.608 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.194 -2.457 -1.013 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.003 -3.515 -0.146 1.00 0.00 C ATOM 0 H PHE A 88 9.367 -1.888 2.390 1.00 0.00 H new ATOM 0 HA PHE A 88 11.322 -0.590 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.857 -1.007 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.601 -2.468 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.127 -3.769 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.586 -1.045 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.912 -4.814 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.370 -2.087 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.029 -3.973 -0.058 1.00 0.00 H new ATOM 1402 N LYS A 89 9.928 1.453 0.722 1.00 0.00 N ATOM 1403 CA LYS A 89 9.171 2.688 0.890 1.00 0.00 C ATOM 1404 C LYS A 89 8.907 3.351 -0.458 1.00 0.00 C ATOM 1405 O LYS A 89 9.793 3.423 -1.309 1.00 0.00 O ATOM 1406 CB LYS A 89 9.927 3.653 1.806 1.00 0.00 C ATOM 1407 CG LYS A 89 11.227 4.164 1.211 1.00 0.00 C ATOM 1408 CD LYS A 89 12.261 4.446 2.288 1.00 0.00 C ATOM 1409 CE LYS A 89 13.459 5.198 1.728 1.00 0.00 C ATOM 1410 NZ LYS A 89 14.284 5.808 2.807 1.00 0.00 N ATOM 0 H LYS A 89 10.883 1.586 0.390 1.00 0.00 H new ATOM 0 HA LYS A 89 8.213 2.439 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.284 4.502 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.141 3.152 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.622 3.428 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.035 5.074 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.805 5.030 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.594 3.506 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.075 4.516 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.114 5.978 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.090 6.311 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.704 6.478 3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.635 5.061 3.440 1.00 0.00 H new ATOM 1424 N ALA A 90 7.684 3.836 -0.644 1.00 0.00 N ATOM 1425 CA ALA A 90 7.304 4.497 -1.887 1.00 0.00 C ATOM 1426 C ALA A 90 7.222 6.008 -1.702 1.00 0.00 C ATOM 1427 O ALA A 90 6.472 6.499 -0.859 1.00 0.00 O ATOM 1428 CB ALA A 90 5.976 3.952 -2.390 1.00 0.00 C ATOM 0 H ALA A 90 6.939 3.784 0.051 1.00 0.00 H new ATOM 0 HA ALA A 90 8.074 4.290 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.705 4.454 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.067 2.881 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.203 4.130 -1.642 1.00 0.00 H new ATOM 1434 N GLU A 91 7.999 6.740 -2.494 1.00 0.00 N ATOM 1435 CA GLU A 91 8.014 8.196 -2.416 1.00 0.00 C ATOM 1436 C GLU A 91 7.569 8.817 -3.737 1.00 0.00 C ATOM 1437 O GLU A 91 7.751 8.230 -4.804 1.00 0.00 O ATOM 1438 CB GLU A 91 9.414 8.695 -2.051 1.00 0.00 C ATOM 1439 CG GLU A 91 10.276 9.023 -3.258 1.00 0.00 C ATOM 1440 CD GLU A 91 11.759 9.002 -2.939 1.00 0.00 C ATOM 1441 OE1 GLU A 91 12.157 9.629 -1.935 1.00 0.00 O ATOM 1442 OE2 GLU A 91 12.520 8.360 -3.692 1.00 0.00 O ATOM 0 H GLU A 91 8.626 6.349 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 91 7.313 8.499 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.323 9.584 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.916 7.936 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.069 8.307 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.004 10.008 -3.637 1.00 0.00 H new ATOM 1449 N HIS A 92 6.983 10.007 -3.656 1.00 0.00 N ATOM 1450 CA HIS A 92 6.511 10.709 -4.845 1.00 0.00 C ATOM 1451 C HIS A 92 7.190 12.068 -4.979 1.00 0.00 C ATOM 1452 O HIS A 92 6.905 12.827 -5.905 1.00 0.00 O ATOM 1453 CB HIS A 92 4.993 10.887 -4.789 1.00 0.00 C ATOM 1454 CG HIS A 92 4.463 11.832 -5.822 1.00 0.00 C ATOM 1455 ND1 HIS A 92 3.767 12.980 -5.506 1.00 0.00 N ATOM 1456 CD2 HIS A 92 4.531 11.797 -7.174 1.00 0.00 C ATOM 1457 CE1 HIS A 92 3.429 13.608 -6.618 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.881 12.911 -7.644 1.00 0.00 N ATOM 0 H HIS A 92 6.823 10.505 -2.781 1.00 0.00 H new ATOM 0 HA HIS A 92 6.767 10.108 -5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.516 9.915 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.714 11.249 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.008 11.034 -7.772 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.877 14.534 -6.678 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.766 13.160 -8.626 1.00 0.00 H new ATOM 1467 N ALA A 93 8.089 12.370 -4.048 1.00 0.00 N ATOM 1468 CA ALA A 93 8.809 13.637 -4.063 1.00 0.00 C ATOM 1469 C ALA A 93 7.863 14.803 -4.332 1.00 0.00 C ATOM 1470 O ALA A 93 8.143 15.661 -5.169 1.00 0.00 O ATOM 1471 CB ALA A 93 9.917 13.602 -5.104 1.00 0.00 C ATOM 0 H ALA A 93 8.336 11.754 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 93 9.255 13.785 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.446 14.555 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.615 12.799 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.485 13.427 -6.089 1.00 0.00 H new ATOM 1477 N GLY A 94 6.742 14.826 -3.619 1.00 0.00 N ATOM 1478 CA GLY A 94 5.772 15.891 -3.797 1.00 0.00 C ATOM 1479 C GLY A 94 4.535 15.698 -2.941 1.00 0.00 C ATOM 1480 O GLY A 94 3.899 16.668 -2.528 1.00 0.00 O ATOM 0 H GLY A 94 6.488 14.127 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.236 16.846 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.480 15.941 -4.846 1.00 0.00 H new ATOM 1484 N VAL A 95 4.192 14.441 -2.676 1.00 0.00 N ATOM 1485 CA VAL A 95 3.023 14.124 -1.864 1.00 0.00 C ATOM 1486 C VAL A 95 3.432 13.581 -0.500 1.00 0.00 C ATOM 1487 O VAL A 95 3.262 14.248 0.521 1.00 0.00 O ATOM 1488 CB VAL A 95 2.117 13.093 -2.564 1.00 0.00 C ATOM 1489 CG1 VAL A 95 1.136 12.485 -1.574 1.00 0.00 C ATOM 1490 CG2 VAL A 95 1.381 13.736 -3.730 1.00 0.00 C ATOM 0 H VAL A 95 4.706 13.627 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 95 2.469 15.053 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 95 2.743 12.292 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.505 11.759 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.686 11.987 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.513 13.272 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.746 12.994 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.765 14.557 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.104 14.119 -4.450 1.00 0.00 H new ATOM 1500 N ARG A 96 3.972 12.367 -0.490 1.00 0.00 N ATOM 1501 CA ARG A 96 4.405 11.733 0.750 1.00 0.00 C ATOM 1502 C ARG A 96 5.153 10.434 0.464 1.00 0.00 C ATOM 1503 O ARG A 96 5.096 9.903 -0.645 1.00 0.00 O ATOM 1504 CB ARG A 96 3.202 11.454 1.652 1.00 0.00 C ATOM 1505 CG ARG A 96 3.444 10.347 2.666 1.00 0.00 C ATOM 1506 CD ARG A 96 2.202 10.072 3.498 1.00 0.00 C ATOM 1507 NE ARG A 96 2.128 10.937 4.673 1.00 0.00 N ATOM 1508 CZ ARG A 96 1.304 10.723 5.693 1.00 0.00 C ATOM 1509 NH1 ARG A 96 0.490 9.677 5.683 1.00 0.00 N ATOM 1510 NH2 ARG A 96 1.295 11.556 6.726 1.00 0.00 N ATOM 0 H ARG A 96 4.120 11.802 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 96 5.082 12.417 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.936 12.369 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.347 11.186 1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.745 9.437 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.268 10.627 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.314 10.219 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.201 9.029 3.815 1.00 0.00 H new ATOM 0 HE ARG A 96 2.743 11.750 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.495 9.034 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.142 9.515 6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.921 12.361 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.662 11.391 7.509 1.00 0.00 H new ATOM 1524 N THR A 97 5.854 9.927 1.474 1.00 0.00 N ATOM 1525 CA THR A 97 6.614 8.692 1.331 1.00 0.00 C ATOM 1526 C THR A 97 6.068 7.601 2.245 1.00 0.00 C ATOM 1527 O THR A 97 6.265 7.639 3.460 1.00 0.00 O ATOM 1528 CB THR A 97 8.106 8.911 1.647 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.614 10.006 0.877 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.912 7.656 1.346 1.00 0.00 C ATOM 0 H THR A 97 5.911 10.353 2.399 1.00 0.00 H new ATOM 0 HA THR A 97 6.512 8.377 0.293 1.00 0.00 H new ATOM 0 HB THR A 97 8.201 9.139 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.562 10.140 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.962 7.834 1.577 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.542 6.831 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.810 7.403 0.291 1.00 0.00 H new ATOM 1538 N TYR A 98 5.382 6.629 1.654 1.00 0.00 N ATOM 1539 CA TYR A 98 4.805 5.528 2.417 1.00 0.00 C ATOM 1540 C TYR A 98 5.818 4.402 2.598 1.00 0.00 C ATOM 1541 O TYR A 98 6.832 4.345 1.902 1.00 0.00 O ATOM 1542 CB TYR A 98 3.554 4.996 1.716 1.00 0.00 C ATOM 1543 CG TYR A 98 2.300 5.777 2.039 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.499 5.429 3.119 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.917 6.864 1.263 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.353 6.139 3.417 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.773 7.582 1.555 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.006 7.215 2.632 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.146 7.927 2.926 1.00 0.00 O ATOM 0 H TYR A 98 5.212 6.581 0.649 1.00 0.00 H new ATOM 0 HA TYR A 98 4.529 5.906 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.716 5.015 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.405 3.954 1.998 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.778 4.588 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.524 7.153 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.259 5.854 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.491 8.426 0.943 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.254 8.653 2.277 1.00 0.00 H new ATOM 1559 N PHE A 99 5.536 3.507 3.539 1.00 0.00 N ATOM 1560 CA PHE A 99 6.421 2.382 3.814 1.00 0.00 C ATOM 1561 C PHE A 99 5.653 1.064 3.779 1.00 0.00 C ATOM 1562 O PHE A 99 4.447 1.028 4.027 1.00 0.00 O ATOM 1563 CB PHE A 99 7.094 2.556 5.177 1.00 0.00 C ATOM 1564 CG PHE A 99 8.300 3.452 5.140 1.00 0.00 C ATOM 1565 CD1 PHE A 99 8.161 4.827 5.235 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.572 2.918 5.010 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.268 5.654 5.201 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.683 3.740 4.976 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.530 5.109 5.071 1.00 0.00 C ATOM 0 H PHE A 99 4.701 3.539 4.124 1.00 0.00 H new ATOM 0 HA PHE A 99 7.187 2.357 3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.369 2.964 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.390 1.577 5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.176 5.258 5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.697 1.848 4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.146 6.724 5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.669 3.312 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.397 5.753 5.044 1.00 0.00 H new ATOM 1579 N PHE A 100 6.360 -0.018 3.468 1.00 0.00 N ATOM 1580 CA PHE A 100 5.745 -1.339 3.399 1.00 0.00 C ATOM 1581 C PHE A 100 6.782 -2.434 3.628 1.00 0.00 C ATOM 1582 O PHE A 100 7.778 -2.520 2.910 1.00 0.00 O ATOM 1583 CB PHE A 100 5.067 -1.538 2.041 1.00 0.00 C ATOM 1584 CG PHE A 100 4.015 -0.510 1.740 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.791 -0.541 2.388 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.250 0.488 0.807 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.821 0.405 2.113 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.284 1.436 0.528 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.067 1.394 1.181 1.00 0.00 C ATOM 0 H PHE A 100 7.358 -0.006 3.260 1.00 0.00 H new ATOM 0 HA PHE A 100 4.994 -1.405 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.825 -1.511 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.614 -2.529 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.592 -1.313 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.199 0.525 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.872 0.371 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.480 2.209 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.310 2.133 0.963 1.00 0.00 H new ATOM 1599 N SER A 101 6.540 -3.268 4.634 1.00 0.00 N ATOM 1600 CA SER A 101 7.455 -4.356 4.962 1.00 0.00 C ATOM 1601 C SER A 101 6.968 -5.673 4.366 1.00 0.00 C ATOM 1602 O SER A 101 5.790 -5.822 4.041 1.00 0.00 O ATOM 1603 CB SER A 101 7.597 -4.491 6.479 1.00 0.00 C ATOM 1604 OG SER A 101 8.183 -5.733 6.828 1.00 0.00 O ATOM 0 H SER A 101 5.719 -3.212 5.236 1.00 0.00 H new ATOM 0 HA SER A 101 8.429 -4.121 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.209 -3.676 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.617 -4.403 6.948 1.00 0.00 H new ATOM 0 HG SER A 101 7.641 -6.168 7.519 1.00 0.00 H new ATOM 1610 N ALA A 102 7.883 -6.627 4.227 1.00 0.00 N ATOM 1611 CA ALA A 102 7.548 -7.932 3.672 1.00 0.00 C ATOM 1612 C ALA A 102 8.136 -9.056 4.520 1.00 0.00 C ATOM 1613 O ALA A 102 9.349 -9.132 4.709 1.00 0.00 O ATOM 1614 CB ALA A 102 8.040 -8.039 2.237 1.00 0.00 C ATOM 0 H ALA A 102 8.862 -6.520 4.491 1.00 0.00 H new ATOM 0 HA ALA A 102 6.463 -8.034 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.782 -9.019 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.569 -7.264 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.122 -7.910 2.213 1.00 0.00 H new ATOM 1620 N GLU A 103 7.267 -9.925 5.027 1.00 0.00 N ATOM 1621 CA GLU A 103 7.702 -11.043 5.855 1.00 0.00 C ATOM 1622 C GLU A 103 8.988 -11.657 5.310 1.00 0.00 C ATOM 1623 O GLU A 103 9.957 -11.850 6.045 1.00 0.00 O ATOM 1624 CB GLU A 103 6.606 -12.109 5.929 1.00 0.00 C ATOM 1625 CG GLU A 103 5.369 -11.659 6.686 1.00 0.00 C ATOM 1626 CD GLU A 103 4.279 -12.713 6.703 1.00 0.00 C ATOM 1627 OE1 GLU A 103 4.227 -13.526 5.756 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.479 -12.725 7.661 1.00 0.00 O ATOM 0 H GLU A 103 6.259 -9.876 4.879 1.00 0.00 H new ATOM 0 HA GLU A 103 7.898 -10.664 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.319 -12.393 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.010 -13.001 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.645 -11.411 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.981 -10.748 6.231 1.00 0.00 H new ATOM 1635 N SER A 104 8.989 -11.962 4.016 1.00 0.00 N ATOM 1636 CA SER A 104 10.154 -12.557 3.372 1.00 0.00 C ATOM 1637 C SER A 104 10.728 -11.620 2.314 1.00 0.00 C ATOM 1638 O SER A 104 10.042 -10.745 1.785 1.00 0.00 O ATOM 1639 CB SER A 104 9.780 -13.897 2.734 1.00 0.00 C ATOM 1640 OG SER A 104 9.920 -14.960 3.662 1.00 0.00 O ATOM 0 H SER A 104 8.196 -11.807 3.393 1.00 0.00 H new ATOM 0 HA SER A 104 10.915 -12.724 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.752 -13.858 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.415 -14.081 1.867 1.00 0.00 H new ATOM 0 HG SER A 104 9.674 -15.805 3.231 1.00 0.00 H new ATOM 1646 N PRO A 105 12.018 -11.807 1.997 1.00 0.00 N ATOM 1647 CA PRO A 105 12.714 -10.989 0.999 1.00 0.00 C ATOM 1648 C PRO A 105 12.225 -11.263 -0.419 1.00 0.00 C ATOM 1649 O PRO A 105 12.414 -10.445 -1.319 1.00 0.00 O ATOM 1650 CB PRO A 105 14.177 -11.414 1.151 1.00 0.00 C ATOM 1651 CG PRO A 105 14.115 -12.794 1.708 1.00 0.00 C ATOM 1652 CD PRO A 105 12.896 -12.831 2.587 1.00 0.00 C ATOM 0 HA PRO A 105 12.546 -9.924 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.696 -11.397 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.717 -10.742 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.044 -13.534 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.015 -13.025 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.426 -13.815 2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.141 -12.601 3.624 1.00 0.00 H new ATOM 1660 N GLU A 106 11.594 -12.417 -0.610 1.00 0.00 N ATOM 1661 CA GLU A 106 11.078 -12.797 -1.920 1.00 0.00 C ATOM 1662 C GLU A 106 9.810 -12.015 -2.253 1.00 0.00 C ATOM 1663 O GLU A 106 9.552 -11.697 -3.413 1.00 0.00 O ATOM 1664 CB GLU A 106 10.790 -14.299 -1.963 1.00 0.00 C ATOM 1665 CG GLU A 106 12.027 -15.150 -2.193 1.00 0.00 C ATOM 1666 CD GLU A 106 12.616 -14.960 -3.578 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.975 -15.392 -4.559 1.00 0.00 O ATOM 1668 OE2 GLU A 106 13.718 -14.381 -3.681 1.00 0.00 O ATOM 0 H GLU A 106 11.428 -13.105 0.125 1.00 0.00 H new ATOM 0 HA GLU A 106 11.837 -12.558 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.323 -14.598 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.069 -14.499 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.779 -14.901 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.772 -16.200 -2.051 1.00 0.00 H new ATOM 1675 N GLU A 107 9.023 -11.711 -1.226 1.00 0.00 N ATOM 1676 CA GLU A 107 7.782 -10.968 -1.410 1.00 0.00 C ATOM 1677 C GLU A 107 8.067 -9.503 -1.730 1.00 0.00 C ATOM 1678 O GLU A 107 7.512 -8.945 -2.676 1.00 0.00 O ATOM 1679 CB GLU A 107 6.912 -11.067 -0.155 1.00 0.00 C ATOM 1680 CG GLU A 107 6.135 -12.368 -0.054 1.00 0.00 C ATOM 1681 CD GLU A 107 4.891 -12.241 0.804 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.059 -11.354 0.516 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.749 -13.028 1.763 1.00 0.00 O ATOM 0 H GLU A 107 9.222 -11.967 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 107 7.246 -11.408 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.546 -10.963 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.210 -10.233 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.850 -12.695 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.781 -13.141 0.362 1.00 0.00 H new ATOM 1690 N GLN A 108 8.935 -8.888 -0.934 1.00 0.00 N ATOM 1691 CA GLN A 108 9.293 -7.488 -1.132 1.00 0.00 C ATOM 1692 C GLN A 108 9.722 -7.234 -2.574 1.00 0.00 C ATOM 1693 O GLN A 108 9.132 -6.409 -3.270 1.00 0.00 O ATOM 1694 CB GLN A 108 10.417 -7.087 -0.175 1.00 0.00 C ATOM 1695 CG GLN A 108 11.000 -5.712 -0.463 1.00 0.00 C ATOM 1696 CD GLN A 108 12.435 -5.577 0.006 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.161 -6.565 0.112 1.00 0.00 O ATOM 1698 NE2 GLN A 108 12.852 -4.349 0.289 1.00 0.00 N ATOM 0 H GLN A 108 9.403 -9.336 -0.146 1.00 0.00 H new ATOM 0 HA GLN A 108 8.412 -6.881 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.037 -7.105 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.213 -7.829 -0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.952 -5.518 -1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.389 -4.953 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.216 -3.558 0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.809 -4.196 0.609 1.00 0.00 H new ATOM 1707 N GLU A 109 10.752 -7.950 -3.014 1.00 0.00 N ATOM 1708 CA GLU A 109 11.260 -7.800 -4.373 1.00 0.00 C ATOM 1709 C GLU A 109 10.151 -8.028 -5.396 1.00 0.00 C ATOM 1710 O GLU A 109 9.955 -7.222 -6.305 1.00 0.00 O ATOM 1711 CB GLU A 109 12.408 -8.780 -4.623 1.00 0.00 C ATOM 1712 CG GLU A 109 11.947 -10.157 -5.070 1.00 0.00 C ATOM 1713 CD GLU A 109 13.104 -11.091 -5.368 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.721 -11.597 -4.407 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.392 -11.316 -6.562 1.00 0.00 O ATOM 0 H GLU A 109 11.250 -8.639 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 109 11.631 -6.781 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.071 -8.364 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.994 -8.881 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.321 -10.596 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.327 -10.057 -5.961 1.00 0.00 H new ATOM 1722 N ALA A 110 9.428 -9.133 -5.241 1.00 0.00 N ATOM 1723 CA ALA A 110 8.338 -9.467 -6.150 1.00 0.00 C ATOM 1724 C ALA A 110 7.328 -8.328 -6.237 1.00 0.00 C ATOM 1725 O ALA A 110 6.871 -7.974 -7.324 1.00 0.00 O ATOM 1726 CB ALA A 110 7.653 -10.749 -5.702 1.00 0.00 C ATOM 0 H ALA A 110 9.578 -9.812 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 110 8.759 -9.621 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.841 -10.987 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.376 -11.565 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.251 -10.615 -4.698 1.00 0.00 H new ATOM 1732 N TRP A 111 6.984 -7.759 -5.088 1.00 0.00 N ATOM 1733 CA TRP A 111 6.027 -6.660 -5.036 1.00 0.00 C ATOM 1734 C TRP A 111 6.534 -5.458 -5.825 1.00 0.00 C ATOM 1735 O TRP A 111 5.878 -4.996 -6.759 1.00 0.00 O ATOM 1736 CB TRP A 111 5.760 -6.256 -3.584 1.00 0.00 C ATOM 1737 CG TRP A 111 4.621 -7.004 -2.960 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.707 -8.008 -2.038 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.226 -6.808 -3.214 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.449 -8.447 -1.703 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.523 -7.727 -2.410 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.502 -5.944 -4.040 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.133 -7.805 -2.411 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.122 -6.023 -4.040 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.449 -6.948 -3.230 1.00 0.00 C ATOM 0 H TRP A 111 7.353 -8.040 -4.180 1.00 0.00 H new ATOM 0 HA TRP A 111 5.096 -7.002 -5.488 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.662 -6.425 -2.996 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.549 -5.187 -3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.628 -8.399 -1.632 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.239 -9.189 -1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.012 -5.227 -4.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.613 -8.517 -1.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.553 -5.361 -4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.630 -6.985 -3.253 1.00 0.00 H new ATOM 1756 N ILE A 112 7.704 -4.956 -5.444 1.00 0.00 N ATOM 1757 CA ILE A 112 8.299 -3.809 -6.119 1.00 0.00 C ATOM 1758 C ILE A 112 8.134 -3.914 -7.631 1.00 0.00 C ATOM 1759 O ILE A 112 7.888 -2.917 -8.309 1.00 0.00 O ATOM 1760 CB ILE A 112 9.796 -3.674 -5.785 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.985 -3.387 -4.294 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.429 -2.575 -6.626 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.406 -3.586 -3.815 1.00 0.00 C ATOM 0 H ILE A 112 8.258 -5.325 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 112 7.774 -2.924 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 112 10.292 -4.616 -6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.682 -2.360 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.323 -4.036 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.487 -2.491 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.322 -2.818 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.932 -1.627 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.465 -3.365 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.707 -4.619 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.071 -2.918 -4.362 1.00 0.00 H new ATOM 1775 N GLN A 113 8.269 -5.129 -8.153 1.00 0.00 N ATOM 1776 CA GLN A 113 8.134 -5.364 -9.585 1.00 0.00 C ATOM 1777 C GLN A 113 6.785 -4.867 -10.094 1.00 0.00 C ATOM 1778 O GLN A 113 6.705 -4.213 -11.134 1.00 0.00 O ATOM 1779 CB GLN A 113 8.291 -6.854 -9.896 1.00 0.00 C ATOM 1780 CG GLN A 113 9.654 -7.413 -9.522 1.00 0.00 C ATOM 1781 CD GLN A 113 10.009 -8.661 -10.306 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.263 -9.641 -10.306 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.152 -8.632 -10.981 1.00 0.00 N ATOM 0 H GLN A 113 8.472 -5.965 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 113 8.921 -4.808 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.520 -7.411 -9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.121 -7.014 -10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.414 -6.652 -9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.669 -7.642 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.740 -7.799 -10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.442 -9.443 -11.528 1.00 0.00 H new ATOM 1792 N ALA A 114 5.727 -5.180 -9.353 1.00 0.00 N ATOM 1793 CA ALA A 114 4.381 -4.763 -9.729 1.00 0.00 C ATOM 1794 C ALA A 114 4.120 -3.318 -9.317 1.00 0.00 C ATOM 1795 O ALA A 114 3.612 -2.521 -10.106 1.00 0.00 O ATOM 1796 CB ALA A 114 3.348 -5.688 -9.102 1.00 0.00 C ATOM 0 H ALA A 114 5.776 -5.721 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 114 4.297 -4.825 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.348 -5.365 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.515 -6.708 -9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.441 -5.654 -8.016 1.00 0.00 H new ATOM 1802 N MET A 115 4.469 -2.988 -8.078 1.00 0.00 N ATOM 1803 CA MET A 115 4.271 -1.638 -7.563 1.00 0.00 C ATOM 1804 C MET A 115 5.207 -0.651 -8.254 1.00 0.00 C ATOM 1805 O MET A 115 4.760 0.269 -8.937 1.00 0.00 O ATOM 1806 CB MET A 115 4.504 -1.607 -6.051 1.00 0.00 C ATOM 1807 CG MET A 115 3.321 -2.117 -5.244 1.00 0.00 C ATOM 1808 SD MET A 115 3.316 -1.496 -3.551 1.00 0.00 S ATOM 1809 CE MET A 115 2.780 -2.953 -2.658 1.00 0.00 C ATOM 0 H MET A 115 4.890 -3.636 -7.412 1.00 0.00 H new ATOM 0 HA MET A 115 3.242 -1.343 -7.771 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.381 -2.209 -5.814 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.727 -0.584 -5.747 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.395 -1.822 -5.738 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.340 -3.207 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.590 -2.692 -1.617 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.865 -3.339 -3.108 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.558 -3.715 -2.705 1.00 0.00 H new ATOM 1819 N GLY A 116 6.509 -0.848 -8.070 1.00 0.00 N ATOM 1820 CA GLY A 116 7.487 0.033 -8.682 1.00 0.00 C ATOM 1821 C GLY A 116 7.144 0.370 -10.119 1.00 0.00 C ATOM 1822 O GLY A 116 7.238 1.526 -10.531 1.00 0.00 O ATOM 0 H GLY A 116 6.904 -1.602 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.555 0.954 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.469 -0.439 -8.647 1.00 0.00 H new ATOM 1826 N GLU A 117 6.748 -0.642 -10.885 1.00 0.00 N ATOM 1827 CA GLU A 117 6.393 -0.446 -12.285 1.00 0.00 C ATOM 1828 C GLU A 117 5.047 0.262 -12.412 1.00 0.00 C ATOM 1829 O GLU A 117 4.962 1.363 -12.955 1.00 0.00 O ATOM 1830 CB GLU A 117 6.345 -1.791 -13.015 1.00 0.00 C ATOM 1831 CG GLU A 117 7.711 -2.297 -13.448 1.00 0.00 C ATOM 1832 CD GLU A 117 8.541 -1.226 -14.129 1.00 0.00 C ATOM 1833 OE1 GLU A 117 8.230 -0.883 -15.289 1.00 0.00 O ATOM 1834 OE2 GLU A 117 9.501 -0.731 -13.502 1.00 0.00 O ATOM 0 H GLU A 117 6.665 -1.605 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 117 7.158 0.181 -12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.882 -2.532 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.707 -1.696 -13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.249 -2.669 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.584 -3.140 -14.128 1.00 0.00 H new ATOM 1841 N ALA A 118 3.998 -0.379 -11.907 1.00 0.00 N ATOM 1842 CA ALA A 118 2.657 0.189 -11.962 1.00 0.00 C ATOM 1843 C ALA A 118 2.660 1.647 -11.517 1.00 0.00 C ATOM 1844 O ALA A 118 1.840 2.446 -11.969 1.00 0.00 O ATOM 1845 CB ALA A 118 1.703 -0.626 -11.101 1.00 0.00 C ATOM 0 H ALA A 118 4.051 -1.292 -11.455 1.00 0.00 H new ATOM 0 HA ALA A 118 2.316 0.153 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.705 -0.190 -11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.670 -1.652 -11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.050 -0.620 -10.068 1.00 0.00 H new ATOM 1851 N ALA A 119 3.586 1.988 -10.627 1.00 0.00 N ATOM 1852 CA ALA A 119 3.696 3.351 -10.122 1.00 0.00 C ATOM 1853 C ALA A 119 4.117 4.314 -11.227 1.00 0.00 C ATOM 1854 O ALA A 119 3.550 5.398 -11.367 1.00 0.00 O ATOM 1855 CB ALA A 119 4.684 3.407 -8.966 1.00 0.00 C ATOM 0 H ALA A 119 4.271 1.339 -10.241 1.00 0.00 H new ATOM 0 HA ALA A 119 2.714 3.659 -9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.756 4.431 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.340 2.756 -8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.664 3.074 -9.308 1.00 0.00 H new ATOM 1861 N ARG A 120 5.113 3.911 -12.009 1.00 0.00 N ATOM 1862 CA ARG A 120 5.610 4.739 -13.101 1.00 0.00 C ATOM 1863 C ARG A 120 4.476 5.534 -13.741 1.00 0.00 C ATOM 1864 O ARG A 120 3.438 4.976 -14.098 1.00 0.00 O ATOM 1865 CB ARG A 120 6.298 3.871 -14.156 1.00 0.00 C ATOM 1866 CG ARG A 120 7.720 3.479 -13.790 1.00 0.00 C ATOM 1867 CD ARG A 120 8.100 2.134 -14.390 1.00 0.00 C ATOM 1868 NE ARG A 120 8.579 2.264 -15.763 1.00 0.00 N ATOM 1869 CZ ARG A 120 9.811 2.645 -16.079 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.685 2.933 -15.124 1.00 0.00 N ATOM 1871 NH2 ARG A 120 10.173 2.739 -17.352 1.00 0.00 N ATOM 0 H ARG A 120 5.592 3.016 -11.907 1.00 0.00 H new ATOM 0 HA ARG A 120 6.335 5.441 -12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.709 2.967 -14.310 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.311 4.409 -15.104 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.412 4.244 -14.143 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.819 3.436 -12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.874 1.670 -13.778 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.236 1.470 -14.369 1.00 0.00 H new ATOM 0 HE ARG A 120 7.931 2.050 -16.521 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.411 2.862 -14.144 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.631 3.225 -15.370 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.504 2.518 -18.090 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.120 3.032 -17.593 1.00 0.00 H new