USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 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 76 TYR OH : rot 180:sc= -0.0354 USER MOD Set 1.2: A 80 MET CE :methyl 145:sc= -0.657 (180deg=-3.46!) USER MOD Set 2.1: A 38 SER OG : rot -84:sc= 0.347 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -146:sc= -0.204 (180deg=-1.68!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 1.55 K(o=1.6,f=0) USER MOD Single : A 19 THR OG1 : rot 82:sc= 0.725 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.365) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -97:sc= -0.421 USER MOD Single : A 28 SER OG : rot 45:sc= 1.22 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 4:sc= 0.86 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.9! C(o=-2.9!,f=-9.9!) USER MOD Single : A 54 SER OG : rot -81:sc= 0.408 USER MOD Single : A 56 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.91) USER MOD Single : A 57 TYR OH : rot 150:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 0.447 (180deg=0.241) USER MOD Single : A 62 THR OG1 : rot -4:sc= 0.594 USER MOD Single : A 64 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= -1.84! K(o=-1.8!,f=-3.9) USER MOD Single : A 72 ASN : amide:sc= -0.951 K(o=-0.95,f=-0.036) USER MOD Single : A 73 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.036 (180deg=-0.514) USER MOD Single : A 79 SER OG : rot 98:sc= 0.274 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.64) USER MOD Single : A 101 LYS NZ :NH3+ -104:sc= -1.29 (180deg=-3.63!) USER MOD Single : A 102 MET CE :methyl 171:sc= 0 (180deg=-0.0955) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 140:sc= -0.166 USER MOD Single : A 109 CYS SG : rot 119:sc= -1.18! USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.332 3.356 7.221 1.00 0.00 N ATOM 93 CA ASP A 10 12.317 4.579 6.427 1.00 0.00 C ATOM 94 C ASP A 10 12.082 4.267 4.953 1.00 0.00 C ATOM 95 O ASP A 10 11.327 4.962 4.273 1.00 0.00 O ATOM 96 CB ASP A 10 13.634 5.339 6.597 1.00 0.00 C ATOM 97 CG ASP A 10 13.699 6.584 5.734 1.00 0.00 C ATOM 98 OD1 ASP A 10 12.856 7.484 5.927 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.594 6.658 4.866 1.00 0.00 O ATOM 0 HA ASP A 10 11.498 5.204 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.756 5.619 7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.465 4.681 6.344 1.00 0.00 H new ATOM 104 N ILE A 11 12.736 3.217 4.465 1.00 0.00 N ATOM 105 CA ILE A 11 12.599 2.813 3.070 1.00 0.00 C ATOM 106 C ILE A 11 11.151 2.470 2.739 1.00 0.00 C ATOM 107 O ILE A 11 10.781 2.359 1.570 1.00 0.00 O ATOM 108 CB ILE A 11 13.490 1.601 2.746 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.505 1.341 1.238 1.00 0.00 C ATOM 110 CG2 ILE A 11 13.005 0.370 3.496 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.723 0.577 0.768 1.00 0.00 C ATOM 0 H ILE A 11 13.365 2.631 5.014 1.00 0.00 H new ATOM 0 HA ILE A 11 12.918 3.660 2.462 1.00 0.00 H new ATOM 0 HB ILE A 11 14.508 1.821 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.609 0.784 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.460 2.295 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.646 -0.478 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.041 0.560 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.980 0.145 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.666 0.429 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.623 1.143 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.759 -0.392 1.266 1.00 0.00 H new ATOM 123 N ILE A 12 10.336 2.302 3.774 1.00 0.00 N ATOM 124 CA ILE A 12 8.928 1.973 3.593 1.00 0.00 C ATOM 125 C ILE A 12 8.260 2.933 2.614 1.00 0.00 C ATOM 126 O ILE A 12 7.399 2.537 1.829 1.00 0.00 O ATOM 127 CB ILE A 12 8.163 2.008 4.930 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.749 0.984 5.904 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.683 1.743 4.702 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.104 1.013 7.273 1.00 0.00 C ATOM 0 H ILE A 12 10.627 2.388 4.748 1.00 0.00 H new ATOM 0 HA ILE A 12 8.891 0.961 3.189 1.00 0.00 H new ATOM 0 HB ILE A 12 8.270 3.001 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.637 -0.014 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.818 1.167 6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.157 1.771 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.274 2.506 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.555 0.761 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.569 0.261 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.238 1.999 7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.039 0.800 7.178 1.00 0.00 H new ATOM 142 N VAL A 13 8.665 4.198 2.666 1.00 0.00 N ATOM 143 CA VAL A 13 8.110 5.216 1.782 1.00 0.00 C ATOM 144 C VAL A 13 8.803 5.202 0.424 1.00 0.00 C ATOM 145 O VAL A 13 8.154 5.307 -0.616 1.00 0.00 O ATOM 146 CB VAL A 13 8.236 6.623 2.396 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.640 7.667 1.466 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.567 6.670 3.762 1.00 0.00 C ATOM 0 H VAL A 13 9.376 4.542 3.311 1.00 0.00 H new ATOM 0 HA VAL A 13 7.054 4.979 1.650 1.00 0.00 H new ATOM 0 HB VAL A 13 9.294 6.850 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.738 8.654 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.168 7.649 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.585 7.447 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.666 7.671 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.511 6.422 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.045 5.950 4.426 1.00 0.00 H new ATOM 158 N ASN A 14 10.126 5.071 0.442 1.00 0.00 N ATOM 159 CA ASN A 14 10.908 5.044 -0.789 1.00 0.00 C ATOM 160 C ASN A 14 10.443 3.915 -1.703 1.00 0.00 C ATOM 161 O ASN A 14 10.071 4.148 -2.854 1.00 0.00 O ATOM 162 CB ASN A 14 12.394 4.876 -0.469 1.00 0.00 C ATOM 163 CG ASN A 14 13.282 5.237 -1.644 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.902 4.368 -2.258 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.348 6.525 -1.961 1.00 0.00 N ATOM 0 H ASN A 14 10.678 4.982 1.295 1.00 0.00 H new ATOM 0 HA ASN A 14 10.759 5.992 -1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.652 5.503 0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.585 3.844 -0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.930 6.829 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.817 7.210 -1.424 1.00 0.00 H new ATOM 172 N TRP A 15 10.465 2.693 -1.184 1.00 0.00 N ATOM 173 CA TRP A 15 10.045 1.527 -1.954 1.00 0.00 C ATOM 174 C TRP A 15 8.721 1.791 -2.662 1.00 0.00 C ATOM 175 O TRP A 15 8.600 1.587 -3.870 1.00 0.00 O ATOM 176 CB TRP A 15 9.916 0.307 -1.041 1.00 0.00 C ATOM 177 CG TRP A 15 9.610 -0.959 -1.782 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.406 -1.587 -2.697 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.422 -1.751 -1.671 1.00 0.00 C ATOM 180 NE1 TRP A 15 9.785 -2.721 -3.163 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.567 -2.845 -2.547 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.251 -1.645 -0.915 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.584 -3.820 -2.688 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.277 -2.614 -1.056 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.448 -3.691 -1.936 1.00 0.00 C ATOM 0 H TRP A 15 10.769 2.483 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 15 10.805 1.327 -2.709 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.844 0.179 -0.485 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.129 0.491 -0.310 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.381 -1.243 -3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.168 -3.365 -3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.110 -0.820 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.713 -4.650 -3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.368 -2.540 -0.478 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.668 -4.433 -2.022 1.00 0.00 H new ATOM 196 N VAL A 16 7.730 2.245 -1.903 1.00 0.00 N ATOM 197 CA VAL A 16 6.413 2.538 -2.458 1.00 0.00 C ATOM 198 C VAL A 16 6.521 3.452 -3.673 1.00 0.00 C ATOM 199 O VAL A 16 5.959 3.166 -4.730 1.00 0.00 O ATOM 200 CB VAL A 16 5.497 3.200 -1.413 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.119 3.464 -1.999 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.397 2.332 -0.166 1.00 0.00 C ATOM 0 H VAL A 16 7.813 2.418 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 16 5.978 1.585 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 16 5.934 4.157 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.486 3.932 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.210 4.128 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.671 2.522 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.746 2.815 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.985 1.359 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.389 2.200 0.266 1.00 0.00 H new ATOM 212 N ASN A 17 7.248 4.554 -3.516 1.00 0.00 N ATOM 213 CA ASN A 17 7.430 5.510 -4.601 1.00 0.00 C ATOM 214 C ASN A 17 8.011 4.829 -5.838 1.00 0.00 C ATOM 215 O ASN A 17 7.381 4.797 -6.893 1.00 0.00 O ATOM 216 CB ASN A 17 8.348 6.650 -4.155 1.00 0.00 C ATOM 217 CG ASN A 17 7.582 7.797 -3.526 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.193 8.746 -4.207 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.361 7.716 -2.220 1.00 0.00 N ATOM 0 H ASN A 17 7.720 4.806 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 17 6.453 5.918 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.076 6.268 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.908 7.019 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.851 8.459 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.701 6.911 -1.694 1.00 0.00 H new ATOM 226 N GLU A 18 9.215 4.284 -5.694 1.00 0.00 N ATOM 227 CA GLU A 18 9.880 3.603 -6.800 1.00 0.00 C ATOM 228 C GLU A 18 8.982 2.520 -7.391 1.00 0.00 C ATOM 229 O GLU A 18 8.621 2.570 -8.567 1.00 0.00 O ATOM 230 CB GLU A 18 11.197 2.985 -6.328 1.00 0.00 C ATOM 231 CG GLU A 18 12.368 3.953 -6.358 1.00 0.00 C ATOM 232 CD GLU A 18 13.701 3.263 -6.135 1.00 0.00 C ATOM 233 OE1 GLU A 18 14.321 2.837 -7.132 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.123 3.152 -4.965 1.00 0.00 O ATOM 0 H GLU A 18 9.749 4.300 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 18 10.089 4.341 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.070 2.612 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.431 2.125 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.385 4.467 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.225 4.715 -5.592 1.00 0.00 H new ATOM 241 N THR A 19 8.623 1.541 -6.566 1.00 0.00 N ATOM 242 CA THR A 19 7.768 0.445 -7.007 1.00 0.00 C ATOM 243 C THR A 19 6.690 0.940 -7.964 1.00 0.00 C ATOM 244 O THR A 19 6.428 0.318 -8.995 1.00 0.00 O ATOM 245 CB THR A 19 7.096 -0.257 -5.812 1.00 0.00 C ATOM 246 OG1 THR A 19 8.083 -0.915 -5.011 1.00 0.00 O ATOM 247 CG2 THR A 19 6.066 -1.270 -6.290 1.00 0.00 C ATOM 0 H THR A 19 8.911 1.485 -5.589 1.00 0.00 H new ATOM 0 HA THR A 19 8.409 -0.269 -7.525 1.00 0.00 H new ATOM 0 HB THR A 19 6.589 0.499 -5.213 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.505 -0.264 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.604 -1.753 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.300 -0.761 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.555 -2.022 -6.909 1.00 0.00 H new ATOM 255 N LEU A 20 6.067 2.061 -7.618 1.00 0.00 N ATOM 256 CA LEU A 20 5.016 2.640 -8.448 1.00 0.00 C ATOM 257 C LEU A 20 5.602 3.266 -9.709 1.00 0.00 C ATOM 258 O LEU A 20 5.065 3.100 -10.804 1.00 0.00 O ATOM 259 CB LEU A 20 4.236 3.691 -7.657 1.00 0.00 C ATOM 260 CG LEU A 20 3.367 3.163 -6.515 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.011 4.286 -5.552 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.108 2.506 -7.060 1.00 0.00 C ATOM 0 H LEU A 20 6.271 2.587 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 20 4.337 1.840 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.946 4.408 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.597 4.238 -8.350 1.00 0.00 H new ATOM 0 HG LEU A 20 3.937 2.411 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.392 3.892 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.924 4.710 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.461 5.062 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.503 2.137 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.535 3.236 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.383 1.674 -7.708 1.00 0.00 H new ATOM 274 N ARG A 21 6.708 3.987 -9.547 1.00 0.00 N ATOM 275 CA ARG A 21 7.367 4.637 -10.673 1.00 0.00 C ATOM 276 C ARG A 21 7.736 3.621 -11.749 1.00 0.00 C ATOM 277 O ARG A 21 7.458 3.824 -12.930 1.00 0.00 O ATOM 278 CB ARG A 21 8.621 5.374 -10.200 1.00 0.00 C ATOM 279 CG ARG A 21 9.248 6.256 -11.266 1.00 0.00 C ATOM 280 CD ARG A 21 10.595 6.802 -10.818 1.00 0.00 C ATOM 281 NE ARG A 21 10.948 8.034 -11.518 1.00 0.00 N ATOM 282 CZ ARG A 21 12.174 8.542 -11.540 1.00 0.00 C ATOM 283 NH1 ARG A 21 13.162 7.926 -10.903 1.00 0.00 N ATOM 284 NH2 ARG A 21 12.417 9.667 -12.199 1.00 0.00 N ATOM 0 H ARG A 21 7.165 4.135 -8.647 1.00 0.00 H new ATOM 0 HA ARG A 21 6.671 5.357 -11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.367 5.988 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.357 4.643 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.374 5.684 -12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.577 7.084 -11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.571 6.990 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.366 6.052 -10.993 1.00 0.00 H new ATOM 0 HE ARG A 21 10.211 8.532 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.980 7.060 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.103 8.318 -10.921 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.661 10.144 -12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.360 10.055 -12.214 1.00 0.00 H new ATOM 298 N GLU A 22 8.365 2.526 -11.331 1.00 0.00 N ATOM 299 CA GLU A 22 8.773 1.479 -12.260 1.00 0.00 C ATOM 300 C GLU A 22 7.605 1.048 -13.141 1.00 0.00 C ATOM 301 O GLU A 22 7.772 0.802 -14.335 1.00 0.00 O ATOM 302 CB GLU A 22 9.322 0.273 -11.493 1.00 0.00 C ATOM 303 CG GLU A 22 10.548 0.590 -10.656 1.00 0.00 C ATOM 304 CD GLU A 22 11.444 -0.616 -10.452 1.00 0.00 C ATOM 305 OE1 GLU A 22 11.694 -1.343 -11.436 1.00 0.00 O ATOM 306 OE2 GLU A 22 11.896 -0.833 -9.308 1.00 0.00 O ATOM 0 H GLU A 22 8.603 2.342 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 22 9.558 1.881 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.540 -0.119 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.571 -0.515 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.118 1.383 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.232 0.971 -9.685 1.00 0.00 H new ATOM 313 N ALA A 23 6.421 0.959 -12.543 1.00 0.00 N ATOM 314 CA ALA A 23 5.225 0.558 -13.273 1.00 0.00 C ATOM 315 C ALA A 23 4.575 1.755 -13.960 1.00 0.00 C ATOM 316 O ALA A 23 3.645 1.598 -14.750 1.00 0.00 O ATOM 317 CB ALA A 23 4.235 -0.116 -12.335 1.00 0.00 C ATOM 0 H ALA A 23 6.265 1.159 -11.555 1.00 0.00 H new ATOM 0 HA ALA A 23 5.521 -0.154 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.347 -0.410 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.696 -1.000 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.952 0.579 -11.544 1.00 0.00 H new ATOM 323 N GLU A 24 5.071 2.949 -13.651 1.00 0.00 N ATOM 324 CA GLU A 24 4.535 4.172 -14.238 1.00 0.00 C ATOM 325 C GLU A 24 3.153 4.487 -13.674 1.00 0.00 C ATOM 326 O GLU A 24 2.241 4.867 -14.409 1.00 0.00 O ATOM 327 CB GLU A 24 4.459 4.042 -15.761 1.00 0.00 C ATOM 328 CG GLU A 24 5.680 3.380 -16.378 1.00 0.00 C ATOM 329 CD GLU A 24 6.785 4.372 -16.692 1.00 0.00 C ATOM 330 OE1 GLU A 24 6.559 5.260 -17.539 1.00 0.00 O ATOM 331 OE2 GLU A 24 7.874 4.257 -16.092 1.00 0.00 O ATOM 0 H GLU A 24 5.842 3.096 -12.999 1.00 0.00 H new ATOM 0 HA GLU A 24 5.207 4.991 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.572 3.466 -16.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.335 5.034 -16.196 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.061 2.621 -15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.387 2.866 -17.294 1.00 0.00 H new ATOM 338 N LYS A 25 3.005 4.326 -12.363 1.00 0.00 N ATOM 339 CA LYS A 25 1.736 4.593 -11.698 1.00 0.00 C ATOM 340 C LYS A 25 1.579 6.081 -11.401 1.00 0.00 C ATOM 341 O LYS A 25 2.566 6.799 -11.241 1.00 0.00 O ATOM 342 CB LYS A 25 1.637 3.790 -10.399 1.00 0.00 C ATOM 343 CG LYS A 25 0.977 2.433 -10.571 1.00 0.00 C ATOM 344 CD LYS A 25 1.520 1.698 -11.785 1.00 0.00 C ATOM 345 CE LYS A 25 0.716 0.442 -12.081 1.00 0.00 C ATOM 346 NZ LYS A 25 0.715 0.114 -13.534 1.00 0.00 N ATOM 0 H LYS A 25 3.749 4.012 -11.740 1.00 0.00 H new ATOM 0 HA LYS A 25 0.933 4.287 -12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.638 3.649 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.074 4.368 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.142 1.832 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.100 2.562 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.497 2.359 -12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.563 1.432 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.131 -0.395 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.310 0.578 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.566 -0.908 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.050 0.636 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.628 0.385 -13.952 1.00 0.00 H new ATOM 360 N SER A 26 0.333 6.538 -11.328 1.00 0.00 N ATOM 361 CA SER A 26 0.049 7.941 -11.052 1.00 0.00 C ATOM 362 C SER A 26 -0.194 8.164 -9.562 1.00 0.00 C ATOM 363 O SER A 26 -0.734 9.193 -9.157 1.00 0.00 O ATOM 364 CB SER A 26 -1.170 8.403 -11.854 1.00 0.00 C ATOM 365 OG SER A 26 -0.820 8.681 -13.199 1.00 0.00 O ATOM 0 H SER A 26 -0.496 5.957 -11.456 1.00 0.00 H new ATOM 0 HA SER A 26 0.917 8.528 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.940 7.632 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.595 9.295 -11.394 1.00 0.00 H new ATOM 0 HG SER A 26 -1.616 8.972 -13.691 1.00 0.00 H new ATOM 371 N SER A 27 0.208 7.190 -8.752 1.00 0.00 N ATOM 372 CA SER A 27 0.031 7.276 -7.307 1.00 0.00 C ATOM 373 C SER A 27 1.379 7.326 -6.596 1.00 0.00 C ATOM 374 O SER A 27 2.397 6.901 -7.142 1.00 0.00 O ATOM 375 CB SER A 27 -0.783 6.084 -6.799 1.00 0.00 C ATOM 376 OG SER A 27 0.023 4.922 -6.700 1.00 0.00 O ATOM 0 H SER A 27 0.658 6.332 -9.072 1.00 0.00 H new ATOM 0 HA SER A 27 -0.510 8.196 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.209 6.319 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.618 5.895 -7.474 1.00 0.00 H new ATOM 0 HG SER A 27 -0.095 4.373 -7.503 1.00 0.00 H new ATOM 382 N SER A 28 1.378 7.848 -5.374 1.00 0.00 N ATOM 383 CA SER A 28 2.602 7.957 -4.588 1.00 0.00 C ATOM 384 C SER A 28 2.303 8.477 -3.186 1.00 0.00 C ATOM 385 O SER A 28 1.197 8.943 -2.907 1.00 0.00 O ATOM 386 CB SER A 28 3.600 8.883 -5.286 1.00 0.00 C ATOM 387 OG SER A 28 4.439 8.158 -6.168 1.00 0.00 O ATOM 0 H SER A 28 0.544 8.202 -4.906 1.00 0.00 H new ATOM 0 HA SER A 28 3.039 6.962 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.061 9.651 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.208 9.396 -4.540 1.00 0.00 H new ATOM 0 HG SER A 28 3.897 7.537 -6.698 1.00 0.00 H new ATOM 393 N ILE A 29 3.295 8.394 -2.306 1.00 0.00 N ATOM 394 CA ILE A 29 3.139 8.858 -0.934 1.00 0.00 C ATOM 395 C ILE A 29 4.358 9.655 -0.480 1.00 0.00 C ATOM 396 O ILE A 29 5.487 9.357 -0.872 1.00 0.00 O ATOM 397 CB ILE A 29 2.920 7.681 0.036 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.960 6.587 -0.211 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.512 7.126 -0.117 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.231 5.727 1.004 1.00 0.00 C ATOM 0 H ILE A 29 4.215 8.010 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 29 2.260 9.502 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 29 3.039 8.043 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.620 5.951 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.893 7.049 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.371 6.295 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.786 7.909 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.368 6.776 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.978 4.973 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.602 6.352 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.309 5.236 1.315 1.00 0.00 H new ATOM 412 N SER A 30 4.123 10.665 0.350 1.00 0.00 N ATOM 413 CA SER A 30 5.201 11.506 0.856 1.00 0.00 C ATOM 414 C SER A 30 5.689 11.007 2.213 1.00 0.00 C ATOM 415 O SER A 30 6.884 11.043 2.507 1.00 0.00 O ATOM 416 CB SER A 30 4.732 12.957 0.973 1.00 0.00 C ATOM 417 OG SER A 30 5.820 13.825 1.242 1.00 0.00 O ATOM 0 H SER A 30 3.195 10.921 0.687 1.00 0.00 H new ATOM 0 HA SER A 30 6.030 11.455 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.242 13.260 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.991 13.040 1.768 1.00 0.00 H new ATOM 0 HG SER A 30 5.494 14.747 1.311 1.00 0.00 H new ATOM 423 N SER A 31 4.754 10.539 3.035 1.00 0.00 N ATOM 424 CA SER A 31 5.087 10.035 4.362 1.00 0.00 C ATOM 425 C SER A 31 3.901 9.298 4.976 1.00 0.00 C ATOM 426 O SER A 31 2.756 9.487 4.564 1.00 0.00 O ATOM 427 CB SER A 31 5.515 11.185 5.276 1.00 0.00 C ATOM 428 OG SER A 31 6.199 10.702 6.418 1.00 0.00 O ATOM 0 H SER A 31 3.761 10.499 2.805 1.00 0.00 H new ATOM 0 HA SER A 31 5.916 9.334 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.159 11.871 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.638 11.752 5.587 1.00 0.00 H new ATOM 0 HG SER A 31 6.463 11.457 6.985 1.00 0.00 H new ATOM 434 N PHE A 32 4.183 8.455 5.965 1.00 0.00 N ATOM 435 CA PHE A 32 3.142 7.688 6.636 1.00 0.00 C ATOM 436 C PHE A 32 1.877 8.524 6.810 1.00 0.00 C ATOM 437 O PHE A 32 0.767 7.992 6.843 1.00 0.00 O ATOM 438 CB PHE A 32 3.635 7.200 8.000 1.00 0.00 C ATOM 439 CG PHE A 32 4.709 6.154 7.909 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.397 4.849 7.564 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.032 6.476 8.167 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.382 3.885 7.481 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.023 5.516 8.085 1.00 0.00 C ATOM 444 CZ PHE A 32 6.698 4.219 7.740 1.00 0.00 C ATOM 0 H PHE A 32 5.125 8.287 6.319 1.00 0.00 H new ATOM 0 HA PHE A 32 2.904 6.825 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.014 8.051 8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.791 6.796 8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.371 4.583 7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.292 7.489 8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.124 2.871 7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.050 5.780 8.290 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.470 3.467 7.673 1.00 0.00 H new ATOM 454 N LYS A 33 2.053 9.836 6.921 1.00 0.00 N ATOM 455 CA LYS A 33 0.927 10.747 7.091 1.00 0.00 C ATOM 456 C LYS A 33 0.545 11.392 5.763 1.00 0.00 C ATOM 457 O LYS A 33 0.279 12.593 5.698 1.00 0.00 O ATOM 458 CB LYS A 33 1.273 11.832 8.115 1.00 0.00 C ATOM 459 CG LYS A 33 1.353 11.317 9.541 1.00 0.00 C ATOM 460 CD LYS A 33 2.724 10.737 9.849 1.00 0.00 C ATOM 461 CE LYS A 33 2.729 9.992 11.175 1.00 0.00 C ATOM 462 NZ LYS A 33 4.101 9.885 11.745 1.00 0.00 N ATOM 0 H LYS A 33 2.965 10.293 6.896 1.00 0.00 H new ATOM 0 HA LYS A 33 0.076 10.170 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.228 12.283 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.523 12.621 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.136 12.129 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.591 10.553 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.022 10.060 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.461 11.539 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.080 10.507 11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.316 8.993 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.063 9.371 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.714 9.371 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.486 10.838 11.905 1.00 0.00 H new ATOM 476 N ASP A 34 0.516 10.588 4.706 1.00 0.00 N ATOM 477 CA ASP A 34 0.162 11.080 3.380 1.00 0.00 C ATOM 478 C ASP A 34 -1.352 11.085 3.188 1.00 0.00 C ATOM 479 O ASP A 34 -2.057 10.161 3.592 1.00 0.00 O ATOM 480 CB ASP A 34 0.822 10.220 2.301 1.00 0.00 C ATOM 481 CG ASP A 34 0.206 10.435 0.932 1.00 0.00 C ATOM 482 OD1 ASP A 34 -0.959 10.029 0.735 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.889 11.007 0.058 1.00 0.00 O ATOM 0 H ASP A 34 0.734 9.592 4.742 1.00 0.00 H new ATOM 0 HA ASP A 34 0.525 12.104 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.886 10.450 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.734 9.169 2.575 1.00 0.00 H new ATOM 488 N PRO A 35 -1.864 12.152 2.557 1.00 0.00 N ATOM 489 CA PRO A 35 -3.299 12.304 2.298 1.00 0.00 C ATOM 490 C PRO A 35 -3.807 11.318 1.251 1.00 0.00 C ATOM 491 O PRO A 35 -4.864 10.709 1.419 1.00 0.00 O ATOM 492 CB PRO A 35 -3.415 13.741 1.781 1.00 0.00 C ATOM 493 CG PRO A 35 -2.075 14.047 1.207 1.00 0.00 C ATOM 494 CD PRO A 35 -1.083 13.291 2.048 1.00 0.00 C ATOM 0 HA PRO A 35 -3.897 12.107 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.198 13.829 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.668 14.432 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.018 13.738 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.874 15.118 1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.227 12.960 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.693 13.906 2.860 1.00 0.00 H new ATOM 502 N LYS A 36 -3.048 11.167 0.172 1.00 0.00 N ATOM 503 CA LYS A 36 -3.420 10.253 -0.903 1.00 0.00 C ATOM 504 C LYS A 36 -3.841 8.897 -0.343 1.00 0.00 C ATOM 505 O LYS A 36 -4.783 8.278 -0.837 1.00 0.00 O ATOM 506 CB LYS A 36 -2.251 10.075 -1.876 1.00 0.00 C ATOM 507 CG LYS A 36 -1.720 11.384 -2.434 1.00 0.00 C ATOM 508 CD LYS A 36 -2.748 12.072 -3.316 1.00 0.00 C ATOM 509 CE LYS A 36 -2.108 13.140 -4.189 1.00 0.00 C ATOM 510 NZ LYS A 36 -2.929 13.438 -5.394 1.00 0.00 N ATOM 0 H LYS A 36 -2.171 11.665 0.018 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.267 10.684 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.442 9.552 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.570 9.440 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.443 12.045 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.814 11.194 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.241 11.332 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.519 12.524 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.973 14.052 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.116 12.810 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.458 14.171 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.037 12.574 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.867 13.778 -5.100 1.00 0.00 H new ATOM 524 N ILE A 37 -3.137 8.445 0.689 1.00 0.00 N ATOM 525 CA ILE A 37 -3.439 7.164 1.316 1.00 0.00 C ATOM 526 C ILE A 37 -4.932 7.028 1.595 1.00 0.00 C ATOM 527 O ILE A 37 -5.487 5.929 1.541 1.00 0.00 O ATOM 528 CB ILE A 37 -2.664 6.986 2.634 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.158 7.087 2.384 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.011 5.651 3.277 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.320 6.754 3.599 1.00 0.00 C ATOM 0 H ILE A 37 -2.354 8.946 1.109 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.130 6.389 0.615 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.954 7.783 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.887 6.414 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.920 8.098 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.455 5.540 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.080 5.615 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.747 4.840 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.737 6.846 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.563 7.443 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.530 5.733 3.917 1.00 0.00 H new ATOM 543 N SER A 38 -5.579 8.151 1.889 1.00 0.00 N ATOM 544 CA SER A 38 -7.008 8.158 2.179 1.00 0.00 C ATOM 545 C SER A 38 -7.786 7.426 1.089 1.00 0.00 C ATOM 546 O SER A 38 -8.673 6.623 1.375 1.00 0.00 O ATOM 547 CB SER A 38 -7.517 9.595 2.308 1.00 0.00 C ATOM 548 OG SER A 38 -7.626 10.212 1.037 1.00 0.00 O ATOM 0 H SER A 38 -5.136 9.069 1.933 1.00 0.00 H new ATOM 0 HA SER A 38 -7.165 7.639 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.489 9.597 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.838 10.170 2.938 1.00 0.00 H new ATOM 0 HG SER A 38 -6.756 10.581 0.777 1.00 0.00 H new ATOM 554 N THR A 39 -7.446 7.711 -0.165 1.00 0.00 N ATOM 555 CA THR A 39 -8.112 7.083 -1.298 1.00 0.00 C ATOM 556 C THR A 39 -7.569 5.680 -1.547 1.00 0.00 C ATOM 557 O THR A 39 -8.110 4.930 -2.359 1.00 0.00 O ATOM 558 CB THR A 39 -7.946 7.920 -2.582 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.577 8.311 -2.738 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.830 9.157 -2.539 1.00 0.00 C ATOM 0 H THR A 39 -6.713 8.373 -0.420 1.00 0.00 H new ATOM 0 HA THR A 39 -9.171 7.021 -1.047 1.00 0.00 H new ATOM 0 HB THR A 39 -8.247 7.307 -3.431 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.039 7.912 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.696 9.732 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.874 8.855 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.555 9.771 -1.682 1.00 0.00 H new ATOM 568 N SER A 40 -6.497 5.332 -0.842 1.00 0.00 N ATOM 569 CA SER A 40 -5.879 4.020 -0.989 1.00 0.00 C ATOM 570 C SER A 40 -5.224 3.878 -2.360 1.00 0.00 C ATOM 571 O SER A 40 -5.081 2.771 -2.881 1.00 0.00 O ATOM 572 CB SER A 40 -6.921 2.917 -0.793 1.00 0.00 C ATOM 573 OG SER A 40 -7.713 3.164 0.356 1.00 0.00 O ATOM 0 H SER A 40 -6.039 5.940 -0.164 1.00 0.00 H new ATOM 0 HA SER A 40 -5.108 3.922 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.561 2.856 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.421 1.953 -0.694 1.00 0.00 H new ATOM 0 HG SER A 40 -8.373 2.447 0.459 1.00 0.00 H new ATOM 579 N LEU A 41 -4.828 5.005 -2.939 1.00 0.00 N ATOM 580 CA LEU A 41 -4.187 5.009 -4.249 1.00 0.00 C ATOM 581 C LEU A 41 -2.801 4.376 -4.180 1.00 0.00 C ATOM 582 O LEU A 41 -2.476 3.453 -4.926 1.00 0.00 O ATOM 583 CB LEU A 41 -4.081 6.438 -4.784 1.00 0.00 C ATOM 584 CG LEU A 41 -5.320 6.981 -5.498 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.121 8.442 -5.876 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.632 6.147 -6.732 1.00 0.00 C ATOM 0 H LEU A 41 -4.939 5.929 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.803 4.419 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.847 7.100 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.239 6.485 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.167 6.916 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.012 8.811 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.946 9.030 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.262 8.532 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.516 6.547 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.785 6.181 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.818 5.115 -6.436 1.00 0.00 H new ATOM 598 N PRO A 42 -1.965 4.881 -3.260 1.00 0.00 N ATOM 599 CA PRO A 42 -0.601 4.378 -3.070 1.00 0.00 C ATOM 600 C PRO A 42 -0.579 2.979 -2.464 1.00 0.00 C ATOM 601 O PRO A 42 0.409 2.254 -2.586 1.00 0.00 O ATOM 602 CB PRO A 42 0.018 5.390 -2.102 1.00 0.00 C ATOM 603 CG PRO A 42 -1.141 5.964 -1.362 1.00 0.00 C ATOM 604 CD PRO A 42 -2.287 5.981 -2.337 1.00 0.00 C ATOM 0 HA PRO A 42 -0.064 4.287 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.722 4.909 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.569 6.164 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.382 5.361 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.917 6.969 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.242 5.820 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.357 6.936 -2.858 1.00 0.00 H new ATOM 612 N VAL A 43 -1.675 2.604 -1.811 1.00 0.00 N ATOM 613 CA VAL A 43 -1.781 1.290 -1.188 1.00 0.00 C ATOM 614 C VAL A 43 -2.377 0.271 -2.151 1.00 0.00 C ATOM 615 O VAL A 43 -2.034 -0.911 -2.112 1.00 0.00 O ATOM 616 CB VAL A 43 -2.646 1.342 0.086 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.491 0.060 0.889 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.281 2.555 0.929 1.00 0.00 C ATOM 0 H VAL A 43 -2.501 3.191 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.770 0.984 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.691 1.434 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.109 0.115 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.806 -0.789 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.447 -0.066 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.902 2.576 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.231 2.496 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.448 3.464 0.351 1.00 0.00 H new ATOM 628 N LEU A 44 -3.271 0.736 -3.017 1.00 0.00 N ATOM 629 CA LEU A 44 -3.916 -0.135 -3.994 1.00 0.00 C ATOM 630 C LEU A 44 -3.000 -0.388 -5.187 1.00 0.00 C ATOM 631 O LEU A 44 -2.749 -1.534 -5.559 1.00 0.00 O ATOM 632 CB LEU A 44 -5.231 0.484 -4.468 1.00 0.00 C ATOM 633 CG LEU A 44 -6.391 0.441 -3.473 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.543 1.308 -3.958 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.854 -0.992 -3.256 1.00 0.00 C ATOM 0 H LEU A 44 -3.566 1.711 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.124 -1.090 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.045 1.525 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.542 -0.026 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.042 0.837 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.359 1.265 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.204 2.339 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.892 0.942 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.680 -1.004 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.185 -1.415 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.029 -1.585 -2.863 1.00 0.00 H new ATOM 647 N ASP A 45 -2.501 0.691 -5.782 1.00 0.00 N ATOM 648 CA ASP A 45 -1.609 0.587 -6.931 1.00 0.00 C ATOM 649 C ASP A 45 -0.333 -0.164 -6.562 1.00 0.00 C ATOM 650 O ASP A 45 0.106 -1.057 -7.287 1.00 0.00 O ATOM 651 CB ASP A 45 -1.262 1.979 -7.462 1.00 0.00 C ATOM 652 CG ASP A 45 -2.443 2.654 -8.130 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.582 2.465 -7.654 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.229 3.371 -9.130 1.00 0.00 O ATOM 0 H ASP A 45 -2.699 1.647 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.125 0.028 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.909 2.601 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.442 1.899 -8.175 1.00 0.00 H new ATOM 659 N LEU A 46 0.259 0.206 -5.432 1.00 0.00 N ATOM 660 CA LEU A 46 1.486 -0.431 -4.967 1.00 0.00 C ATOM 661 C LEU A 46 1.383 -1.950 -5.068 1.00 0.00 C ATOM 662 O LEU A 46 2.282 -2.608 -5.591 1.00 0.00 O ATOM 663 CB LEU A 46 1.780 -0.023 -3.522 1.00 0.00 C ATOM 664 CG LEU A 46 2.827 -0.861 -2.787 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.123 -0.913 -3.582 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.075 -0.303 -1.394 1.00 0.00 C ATOM 0 H LEU A 46 -0.091 0.944 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 46 2.304 -0.098 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.108 1.016 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.849 -0.065 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 46 2.446 -1.877 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.856 -1.514 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.934 -1.360 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.509 0.098 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.823 -0.912 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.434 0.723 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.146 -0.320 -0.825 1.00 0.00 H new ATOM 678 N ILE A 47 0.282 -2.497 -4.564 1.00 0.00 N ATOM 679 CA ILE A 47 0.061 -3.937 -4.601 1.00 0.00 C ATOM 680 C ILE A 47 0.103 -4.464 -6.032 1.00 0.00 C ATOM 681 O ILE A 47 0.821 -5.417 -6.332 1.00 0.00 O ATOM 682 CB ILE A 47 -1.291 -4.315 -3.966 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.288 -3.985 -2.472 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.585 -5.792 -4.187 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.673 -3.833 -1.885 1.00 0.00 C ATOM 0 H ILE A 47 -0.470 -1.965 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 47 0.865 -4.395 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.077 -3.732 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.759 -4.772 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.731 -3.061 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.543 -6.044 -3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.625 -5.999 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.798 -6.392 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.595 -3.600 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.198 -3.026 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.226 -4.764 -2.012 1.00 0.00 H new ATOM 697 N ASP A 48 -0.671 -3.835 -6.910 1.00 0.00 N ATOM 698 CA ASP A 48 -0.720 -4.238 -8.312 1.00 0.00 C ATOM 699 C ASP A 48 0.670 -4.197 -8.937 1.00 0.00 C ATOM 700 O ASP A 48 1.100 -5.153 -9.582 1.00 0.00 O ATOM 701 CB ASP A 48 -1.672 -3.331 -9.092 1.00 0.00 C ATOM 702 CG ASP A 48 -2.171 -3.977 -10.369 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.596 -5.150 -10.314 1.00 0.00 O ATOM 704 OD2 ASP A 48 -2.136 -3.310 -11.424 1.00 0.00 O ATOM 0 H ASP A 48 -1.273 -3.045 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.089 -5.263 -8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.523 -3.075 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.163 -2.398 -9.335 1.00 0.00 H new ATOM 709 N ALA A 49 1.367 -3.082 -8.745 1.00 0.00 N ATOM 710 CA ALA A 49 2.709 -2.917 -9.291 1.00 0.00 C ATOM 711 C ALA A 49 3.505 -4.213 -9.193 1.00 0.00 C ATOM 712 O ALA A 49 4.188 -4.606 -10.140 1.00 0.00 O ATOM 713 CB ALA A 49 3.437 -1.792 -8.568 1.00 0.00 C ATOM 0 H ALA A 49 1.025 -2.280 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 49 2.617 -2.658 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.438 -1.679 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.884 -0.861 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.511 -2.029 -7.507 1.00 0.00 H new ATOM 719 N ILE A 50 3.414 -4.873 -8.043 1.00 0.00 N ATOM 720 CA ILE A 50 4.126 -6.126 -7.823 1.00 0.00 C ATOM 721 C ILE A 50 3.423 -7.287 -8.517 1.00 0.00 C ATOM 722 O ILE A 50 4.026 -8.001 -9.317 1.00 0.00 O ATOM 723 CB ILE A 50 4.257 -6.443 -6.322 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.835 -5.240 -5.573 1.00 0.00 C ATOM 725 CG2 ILE A 50 5.130 -7.671 -6.114 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.765 -5.375 -4.068 1.00 0.00 C ATOM 0 H ILE A 50 2.854 -4.561 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 50 5.122 -6.002 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 50 3.265 -6.654 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.875 -5.103 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.297 -4.342 -5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.213 -7.882 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.681 -8.526 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.122 -7.486 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.192 -4.487 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.725 -5.481 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.328 -6.255 -3.755 1.00 0.00 H new ATOM 738 N GLN A 51 2.144 -7.467 -8.205 1.00 0.00 N ATOM 739 CA GLN A 51 1.357 -8.542 -8.801 1.00 0.00 C ATOM 740 C GLN A 51 0.295 -7.983 -9.741 1.00 0.00 C ATOM 741 O GLN A 51 -0.819 -7.652 -9.333 1.00 0.00 O ATOM 742 CB GLN A 51 0.696 -9.383 -7.708 1.00 0.00 C ATOM 743 CG GLN A 51 0.343 -10.792 -8.156 1.00 0.00 C ATOM 744 CD GLN A 51 -0.961 -10.850 -8.928 1.00 0.00 C ATOM 745 OE1 GLN A 51 -1.140 -10.140 -9.918 1.00 0.00 O ATOM 746 NE2 GLN A 51 -1.879 -11.698 -8.480 1.00 0.00 N ATOM 0 H GLN A 51 1.630 -6.884 -7.544 1.00 0.00 H new ATOM 0 HA GLN A 51 2.031 -9.174 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.366 -9.440 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.210 -8.880 -7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.147 -11.183 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.273 -11.440 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.688 -12.267 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.775 -11.780 -8.960 1.00 0.00 H new ATOM 755 N PRO A 52 0.646 -7.873 -11.031 1.00 0.00 N ATOM 756 CA PRO A 52 -0.264 -7.353 -12.058 1.00 0.00 C ATOM 757 C PRO A 52 -1.415 -8.310 -12.349 1.00 0.00 C ATOM 758 O PRO A 52 -1.201 -9.437 -12.794 1.00 0.00 O ATOM 759 CB PRO A 52 0.635 -7.207 -13.288 1.00 0.00 C ATOM 760 CG PRO A 52 1.732 -8.192 -13.075 1.00 0.00 C ATOM 761 CD PRO A 52 1.956 -8.248 -11.588 1.00 0.00 C ATOM 0 HA PRO A 52 -0.739 -6.422 -11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.087 -7.418 -14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.025 -6.193 -13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.458 -9.172 -13.465 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.639 -7.884 -13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.260 -9.244 -11.265 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.739 -7.558 -11.273 1.00 0.00 H new ATOM 769 N GLY A 53 -2.638 -7.853 -12.097 1.00 0.00 N ATOM 770 CA GLY A 53 -3.804 -8.682 -12.339 1.00 0.00 C ATOM 771 C GLY A 53 -4.756 -8.702 -11.159 1.00 0.00 C ATOM 772 O GLY A 53 -5.962 -8.876 -11.329 1.00 0.00 O ATOM 0 H GLY A 53 -2.842 -6.924 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.330 -8.315 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.483 -9.700 -12.560 1.00 0.00 H new ATOM 776 N SER A 54 -4.211 -8.527 -9.959 1.00 0.00 N ATOM 777 CA SER A 54 -5.020 -8.533 -8.745 1.00 0.00 C ATOM 778 C SER A 54 -5.935 -7.314 -8.696 1.00 0.00 C ATOM 779 O SER A 54 -7.158 -7.444 -8.646 1.00 0.00 O ATOM 780 CB SER A 54 -4.120 -8.560 -7.508 1.00 0.00 C ATOM 781 OG SER A 54 -3.168 -7.511 -7.547 1.00 0.00 O ATOM 0 H SER A 54 -3.214 -8.380 -9.801 1.00 0.00 H new ATOM 0 HA SER A 54 -5.639 -9.430 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.729 -8.469 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.606 -9.520 -7.449 1.00 0.00 H new ATOM 0 HG SER A 54 -2.416 -7.773 -8.118 1.00 0.00 H new ATOM 787 N ILE A 55 -5.333 -6.129 -8.713 1.00 0.00 N ATOM 788 CA ILE A 55 -6.093 -4.886 -8.671 1.00 0.00 C ATOM 789 C ILE A 55 -6.819 -4.641 -9.991 1.00 0.00 C ATOM 790 O ILE A 55 -6.261 -4.855 -11.066 1.00 0.00 O ATOM 791 CB ILE A 55 -5.184 -3.681 -8.368 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.435 -3.898 -7.051 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.004 -2.400 -8.311 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.348 -4.093 -5.861 1.00 0.00 C ATOM 0 H ILE A 55 -4.322 -6.004 -8.756 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.825 -4.990 -7.870 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.452 -3.586 -9.170 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.789 -4.770 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.788 -3.041 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.347 -1.557 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.497 -2.241 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.756 -2.484 -7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.748 -4.241 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.977 -3.211 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.978 -4.967 -6.025 1.00 0.00 H new ATOM 806 N ASN A 56 -8.066 -4.190 -9.898 1.00 0.00 N ATOM 807 CA ASN A 56 -8.869 -3.915 -11.084 1.00 0.00 C ATOM 808 C ASN A 56 -9.457 -2.509 -11.028 1.00 0.00 C ATOM 809 O ASN A 56 -10.597 -2.318 -10.606 1.00 0.00 O ATOM 810 CB ASN A 56 -9.992 -4.945 -11.215 1.00 0.00 C ATOM 811 CG ASN A 56 -10.380 -5.198 -12.660 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.899 -6.141 -13.287 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.253 -4.351 -13.194 1.00 0.00 N ATOM 0 H ASN A 56 -8.542 -4.007 -9.014 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.219 -3.983 -11.956 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.677 -5.882 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.865 -4.598 -10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.551 -4.469 -14.162 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.626 -3.583 -12.636 1.00 0.00 H new ATOM 820 N TYR A 57 -8.671 -1.528 -11.458 1.00 0.00 N ATOM 821 CA TYR A 57 -9.112 -0.138 -11.455 1.00 0.00 C ATOM 822 C TYR A 57 -10.543 -0.020 -11.973 1.00 0.00 C ATOM 823 O TYR A 57 -11.350 0.738 -11.435 1.00 0.00 O ATOM 824 CB TYR A 57 -8.177 0.718 -12.310 1.00 0.00 C ATOM 825 CG TYR A 57 -6.743 0.712 -11.831 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.424 1.065 -10.525 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.707 0.351 -12.683 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.116 1.061 -10.083 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.395 0.342 -12.249 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.104 0.699 -10.948 1.00 0.00 C ATOM 831 OH TYR A 57 -2.800 0.692 -10.511 1.00 0.00 O ATOM 0 H TYR A 57 -7.725 -1.670 -11.813 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.085 0.223 -10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.209 0.359 -13.339 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.544 1.744 -12.319 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.213 1.347 -9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.931 0.073 -13.702 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.886 1.340 -9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.602 0.057 -12.924 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.295 0.009 -11.000 1.00 0.00 H new ATOM 841 N ASP A 58 -10.850 -0.776 -13.022 1.00 0.00 N ATOM 842 CA ASP A 58 -12.183 -0.759 -13.613 1.00 0.00 C ATOM 843 C ASP A 58 -13.258 -0.813 -12.532 1.00 0.00 C ATOM 844 O ASP A 58 -14.273 -0.121 -12.616 1.00 0.00 O ATOM 845 CB ASP A 58 -12.351 -1.935 -14.577 1.00 0.00 C ATOM 846 CG ASP A 58 -13.311 -1.623 -15.708 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.406 -1.093 -15.428 1.00 0.00 O ATOM 848 OD2 ASP A 58 -12.965 -1.909 -16.873 1.00 0.00 O ATOM 0 H ASP A 58 -10.194 -1.408 -13.480 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.297 0.173 -14.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.379 -2.202 -14.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.712 -2.804 -14.027 1.00 0.00 H new ATOM 853 N LEU A 59 -13.028 -1.639 -11.517 1.00 0.00 N ATOM 854 CA LEU A 59 -13.977 -1.784 -10.419 1.00 0.00 C ATOM 855 C LEU A 59 -13.782 -0.683 -9.382 1.00 0.00 C ATOM 856 O LEU A 59 -14.747 -0.188 -8.797 1.00 0.00 O ATOM 857 CB LEU A 59 -13.819 -3.155 -9.760 1.00 0.00 C ATOM 858 CG LEU A 59 -13.744 -4.352 -10.709 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.506 -5.637 -9.930 1.00 0.00 C ATOM 860 CD2 LEU A 59 -15.017 -4.456 -11.536 1.00 0.00 C ATOM 0 H LEU A 59 -12.193 -2.218 -11.432 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.984 -1.698 -10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.914 -3.142 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.657 -3.308 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.904 -4.202 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.456 -6.478 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.567 -5.561 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.325 -5.794 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.947 -5.313 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.872 -4.583 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.145 -3.546 -12.123 1.00 0.00 H new ATOM 872 N LEU A 60 -12.528 -0.301 -9.160 1.00 0.00 N ATOM 873 CA LEU A 60 -12.207 0.744 -8.195 1.00 0.00 C ATOM 874 C LEU A 60 -12.771 2.089 -8.640 1.00 0.00 C ATOM 875 O LEU A 60 -13.033 2.304 -9.824 1.00 0.00 O ATOM 876 CB LEU A 60 -10.692 0.849 -8.013 1.00 0.00 C ATOM 877 CG LEU A 60 -9.966 -0.451 -7.660 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.472 -0.207 -7.523 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.531 -1.045 -6.378 1.00 0.00 C ATOM 0 H LEU A 60 -11.718 -0.700 -9.635 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.664 0.477 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.262 1.243 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.490 1.579 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.124 -1.165 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.972 -1.142 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.078 0.174 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.293 0.523 -6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.003 -1.969 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.403 -0.335 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.592 -1.257 -6.512 1.00 0.00 H new ATOM 891 N LYS A 61 -12.955 2.994 -7.685 1.00 0.00 N ATOM 892 CA LYS A 61 -13.485 4.320 -7.977 1.00 0.00 C ATOM 893 C LYS A 61 -12.356 5.306 -8.263 1.00 0.00 C ATOM 894 O LYS A 61 -12.261 5.857 -9.360 1.00 0.00 O ATOM 895 CB LYS A 61 -14.332 4.823 -6.806 1.00 0.00 C ATOM 896 CG LYS A 61 -15.798 4.443 -6.908 1.00 0.00 C ATOM 897 CD LYS A 61 -16.071 3.094 -6.262 1.00 0.00 C ATOM 898 CE LYS A 61 -15.918 1.957 -7.260 1.00 0.00 C ATOM 899 NZ LYS A 61 -16.477 0.680 -6.737 1.00 0.00 N ATOM 0 H LYS A 61 -12.744 2.833 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.113 4.246 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.926 4.423 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.250 5.908 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.407 5.208 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.095 4.412 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.385 2.943 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.080 3.084 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.422 2.220 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.863 1.821 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.070 -0.119 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.242 0.585 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.511 0.680 -6.853 1.00 0.00 H new ATOM 913 N THR A 62 -11.501 5.524 -7.268 1.00 0.00 N ATOM 914 CA THR A 62 -10.379 6.443 -7.413 1.00 0.00 C ATOM 915 C THR A 62 -10.837 7.786 -7.970 1.00 0.00 C ATOM 916 O THR A 62 -10.107 8.441 -8.712 1.00 0.00 O ATOM 917 CB THR A 62 -9.292 5.861 -8.336 1.00 0.00 C ATOM 918 OG1 THR A 62 -9.766 5.820 -9.686 1.00 0.00 O ATOM 919 CG2 THR A 62 -8.895 4.462 -7.890 1.00 0.00 C ATOM 0 H THR A 62 -11.565 5.077 -6.354 1.00 0.00 H new ATOM 0 HA THR A 62 -9.960 6.590 -6.418 1.00 0.00 H new ATOM 0 HB THR A 62 -8.415 6.506 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.701 6.113 -9.714 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.126 4.072 -8.557 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.507 4.501 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.767 3.809 -7.921 1.00 0.00 H new ATOM 927 N GLU A 63 -12.050 8.191 -7.604 1.00 0.00 N ATOM 928 CA GLU A 63 -12.603 9.458 -8.068 1.00 0.00 C ATOM 929 C GLU A 63 -13.462 10.105 -6.986 1.00 0.00 C ATOM 930 O GLU A 63 -14.472 9.545 -6.562 1.00 0.00 O ATOM 931 CB GLU A 63 -13.435 9.243 -9.335 1.00 0.00 C ATOM 932 CG GLU A 63 -14.590 8.274 -9.146 1.00 0.00 C ATOM 933 CD GLU A 63 -15.153 7.774 -10.463 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.408 8.610 -11.355 1.00 0.00 O ATOM 935 OE2 GLU A 63 -15.338 6.547 -10.602 1.00 0.00 O ATOM 0 H GLU A 63 -12.667 7.661 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.773 10.126 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.828 10.203 -9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.786 8.871 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.253 7.424 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.382 8.764 -8.579 1.00 0.00 H new ATOM 942 N ASN A 64 -13.053 11.290 -6.543 1.00 0.00 N ATOM 943 CA ASN A 64 -13.783 12.013 -5.510 1.00 0.00 C ATOM 944 C ASN A 64 -14.387 11.049 -4.493 1.00 0.00 C ATOM 945 O ASN A 64 -15.492 11.268 -3.993 1.00 0.00 O ATOM 946 CB ASN A 64 -14.887 12.866 -6.139 1.00 0.00 C ATOM 947 CG ASN A 64 -15.664 12.114 -7.201 1.00 0.00 C ATOM 948 OD1 ASN A 64 -16.706 11.519 -6.921 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.161 12.136 -8.430 1.00 0.00 N ATOM 0 H ASN A 64 -12.220 11.769 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.079 12.665 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.572 13.201 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.445 13.759 -6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.641 11.648 -9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.295 12.641 -8.618 1.00 0.00 H new ATOM 956 N LEU A 65 -13.655 9.982 -4.192 1.00 0.00 N ATOM 957 CA LEU A 65 -14.118 8.983 -3.235 1.00 0.00 C ATOM 958 C LEU A 65 -14.745 9.648 -2.014 1.00 0.00 C ATOM 959 O LEU A 65 -14.377 10.763 -1.645 1.00 0.00 O ATOM 960 CB LEU A 65 -12.956 8.087 -2.802 1.00 0.00 C ATOM 961 CG LEU A 65 -12.408 7.137 -3.867 1.00 0.00 C ATOM 962 CD1 LEU A 65 -10.939 6.840 -3.612 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.217 5.849 -3.901 1.00 0.00 C ATOM 0 H LEU A 65 -12.739 9.786 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.878 8.372 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.141 8.724 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.280 7.494 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.496 7.622 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.566 6.162 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.370 7.769 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.826 6.375 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.812 5.185 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.162 5.359 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.257 6.079 -4.134 1.00 0.00 H new ATOM 975 N ASN A 66 -15.691 8.956 -1.389 1.00 0.00 N ATOM 976 CA ASN A 66 -16.368 9.479 -0.207 1.00 0.00 C ATOM 977 C ASN A 66 -16.358 8.454 0.923 1.00 0.00 C ATOM 978 O ASN A 66 -16.126 7.267 0.697 1.00 0.00 O ATOM 979 CB ASN A 66 -17.808 9.865 -0.549 1.00 0.00 C ATOM 980 CG ASN A 66 -18.450 8.899 -1.526 1.00 0.00 C ATOM 981 OD1 ASN A 66 -18.042 8.806 -2.683 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.461 8.173 -1.061 1.00 0.00 N ATOM 0 H ASN A 66 -16.007 8.031 -1.681 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.831 10.367 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.399 9.898 0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.821 10.869 -0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.932 7.505 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.766 8.283 -0.094 1.00 0.00 H new ATOM 989 N ASP A 67 -16.612 8.923 2.140 1.00 0.00 N ATOM 990 CA ASP A 67 -16.635 8.048 3.307 1.00 0.00 C ATOM 991 C ASP A 67 -17.179 6.670 2.942 1.00 0.00 C ATOM 992 O ASP A 67 -16.768 5.659 3.512 1.00 0.00 O ATOM 993 CB ASP A 67 -17.483 8.667 4.419 1.00 0.00 C ATOM 994 CG ASP A 67 -16.910 9.977 4.923 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.885 9.941 5.635 1.00 0.00 O ATOM 996 OD2 ASP A 67 -17.487 11.039 4.606 1.00 0.00 O ATOM 0 H ASP A 67 -16.805 9.904 2.344 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.612 7.932 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.495 8.835 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.559 7.964 5.248 1.00 0.00 H new ATOM 1001 N ASP A 68 -18.104 6.638 1.991 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.706 5.385 1.551 1.00 0.00 C ATOM 1003 C ASP A 68 -17.750 4.614 0.645 1.00 0.00 C ATOM 1004 O ASP A 68 -17.287 3.529 0.997 1.00 0.00 O ATOM 1005 CB ASP A 68 -20.020 5.654 0.815 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.964 6.525 1.620 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -21.723 5.972 2.444 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -20.948 7.759 1.424 1.00 0.00 O ATOM 0 H ASP A 68 -18.454 7.466 1.509 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.912 4.780 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.807 6.138 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.508 4.706 0.589 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.463 5.180 -0.523 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.565 4.544 -1.480 1.00 0.00 C ATOM 1015 C GLU A 69 -15.205 4.265 -0.847 1.00 0.00 C ATOM 1016 O GLU A 69 -14.722 3.133 -0.860 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.392 5.428 -2.717 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.707 5.858 -3.346 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.442 4.708 -4.006 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.644 3.672 -3.339 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.815 4.844 -5.190 1.00 0.00 O ATOM 0 H GLU A 69 -17.839 6.077 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.009 3.595 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.823 6.316 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.803 4.889 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.344 6.300 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.514 6.634 -4.087 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.593 5.305 -0.293 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.289 5.175 0.347 1.00 0.00 C ATOM 1030 C LYS A 70 -13.190 3.862 1.118 1.00 0.00 C ATOM 1031 O LYS A 70 -12.191 3.146 1.020 1.00 0.00 O ATOM 1032 CB LYS A 70 -13.041 6.353 1.291 1.00 0.00 C ATOM 1033 CG LYS A 70 -13.072 7.704 0.599 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.751 8.833 1.564 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.259 9.120 1.609 1.00 0.00 C ATOM 1036 NZ LYS A 70 -10.943 10.288 2.480 1.00 0.00 N ATOM 0 H LYS A 70 -14.979 6.249 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.528 5.177 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.794 6.341 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.072 6.223 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.354 7.710 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.057 7.867 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.287 9.733 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.102 8.571 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.731 8.240 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.896 9.311 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.130 10.804 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.767 10.921 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.711 9.954 3.437 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.230 3.551 1.883 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.261 2.322 2.669 1.00 0.00 C ATOM 1052 C LEU A 71 -14.074 1.100 1.777 1.00 0.00 C ATOM 1053 O LEU A 71 -13.103 0.359 1.918 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.583 2.215 3.432 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.897 0.848 4.041 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.873 0.492 5.107 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.302 0.834 4.624 1.00 0.00 C ATOM 0 H LEU A 71 -15.063 4.132 1.976 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.438 2.355 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.578 2.955 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.393 2.484 2.754 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.845 0.099 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.112 -0.484 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.879 0.461 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.893 1.244 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.508 -0.147 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.381 1.594 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -18.025 1.045 3.836 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.011 0.897 0.857 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.949 -0.236 -0.061 1.00 0.00 C ATOM 1071 C ASN A 72 -13.536 -0.416 -0.607 1.00 0.00 C ATOM 1072 O ASN A 72 -13.042 -1.537 -0.720 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.933 -0.038 -1.215 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.371 0.044 -0.741 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.040 -0.977 -0.572 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.854 1.261 -0.525 1.00 0.00 N ATOM 0 H ASN A 72 -15.822 1.501 0.727 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.223 -1.135 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.678 0.875 -1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.832 -0.863 -1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.816 1.379 -0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.264 2.079 -0.678 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.891 0.696 -0.943 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.534 0.661 -1.478 1.00 0.00 C ATOM 1085 C ASN A 73 -10.556 0.120 -0.440 1.00 0.00 C ATOM 1086 O ASN A 73 -9.726 -0.738 -0.743 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.103 2.060 -1.922 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.513 2.366 -3.350 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.246 1.599 -3.975 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.040 3.491 -3.873 1.00 0.00 N ATOM 0 H ASN A 73 -13.285 1.632 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.526 -0.005 -2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.542 2.801 -1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.021 2.150 -1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.281 3.750 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.435 4.097 -3.318 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.657 0.627 0.783 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.783 0.193 1.865 1.00 0.00 C ATOM 1099 C ALA A 74 -9.935 -1.302 2.129 1.00 0.00 C ATOM 1100 O ALA A 74 -8.947 -2.017 2.297 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.076 0.985 3.131 1.00 0.00 C ATOM 0 H ALA A 74 -11.336 1.340 1.050 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.753 0.380 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.416 0.650 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.909 2.046 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.113 0.827 3.427 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.178 -1.768 2.162 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.461 -3.179 2.403 1.00 0.00 C ATOM 1109 C LYS A 75 -10.824 -4.053 1.327 1.00 0.00 C ATOM 1110 O LYS A 75 -10.389 -5.172 1.601 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.972 -3.418 2.440 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.661 -2.766 3.626 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.081 -2.347 3.285 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.986 -3.554 3.087 1.00 0.00 C ATOM 1115 NZ LYS A 75 -16.012 -4.000 1.667 1.00 0.00 N ATOM 0 H LYS A 75 -12.007 -1.189 2.025 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.032 -3.450 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.414 -3.038 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.161 -4.491 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.678 -3.461 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.090 -1.894 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.478 -1.720 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.075 -1.742 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.642 -4.373 3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.998 -3.306 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.886 -4.534 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.978 -3.170 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.190 -4.609 1.479 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.771 -3.535 0.106 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.187 -4.270 -1.011 1.00 0.00 C ATOM 1131 C TYR A 76 -8.664 -4.283 -0.918 1.00 0.00 C ATOM 1132 O TYR A 76 -8.025 -5.302 -1.177 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.622 -3.649 -2.340 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.449 -4.571 -3.525 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.024 -5.837 -3.533 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.712 -4.179 -4.634 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.868 -6.685 -4.613 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.552 -5.020 -5.719 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.132 -6.272 -5.704 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.974 -7.112 -6.782 1.00 0.00 O ATOM 0 H TYR A 76 -11.125 -2.610 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.545 -5.298 -0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.669 -3.356 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.047 -2.739 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.602 -6.163 -2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.256 -3.200 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.320 -7.666 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.976 -4.699 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.430 -6.668 -7.466 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.090 -3.144 -0.545 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.644 -3.024 -0.414 1.00 0.00 C ATOM 1152 C ALA A 77 -6.097 -4.038 0.585 1.00 0.00 C ATOM 1153 O ALA A 77 -5.241 -4.856 0.247 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.267 -1.611 0.006 1.00 0.00 C ATOM 0 H ALA A 77 -8.605 -2.291 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.198 -3.234 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.184 -1.536 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.616 -0.903 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.731 -1.380 0.965 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.596 -3.978 1.815 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.158 -4.892 2.863 1.00 0.00 C ATOM 1162 C ILE A 78 -6.436 -6.342 2.479 1.00 0.00 C ATOM 1163 O ILE A 78 -5.589 -7.216 2.662 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.850 -4.585 4.204 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.498 -3.171 4.671 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.450 -5.611 5.253 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.336 -2.695 5.837 1.00 0.00 C ATOM 0 H ILE A 78 -7.304 -3.306 2.110 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.084 -4.749 2.978 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.929 -4.642 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.446 -3.142 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.623 -2.480 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.947 -5.381 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.746 -6.606 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.370 -5.583 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.032 -1.686 6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.388 -2.692 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.192 -3.364 6.685 1.00 0.00 H new ATOM 1179 N SER A 79 -7.628 -6.588 1.946 1.00 0.00 N ATOM 1180 CA SER A 79 -8.020 -7.933 1.539 1.00 0.00 C ATOM 1181 C SER A 79 -7.059 -8.484 0.490 1.00 0.00 C ATOM 1182 O SER A 79 -6.555 -9.600 0.619 1.00 0.00 O ATOM 1183 CB SER A 79 -9.446 -7.926 0.986 1.00 0.00 C ATOM 1184 OG SER A 79 -10.399 -8.041 2.030 1.00 0.00 O ATOM 0 H SER A 79 -8.339 -5.874 1.786 1.00 0.00 H new ATOM 0 HA SER A 79 -7.982 -8.578 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.620 -7.004 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.571 -8.750 0.283 1.00 0.00 H new ATOM 0 HG SER A 79 -10.735 -7.151 2.265 1.00 0.00 H new ATOM 1190 N MET A 80 -6.811 -7.693 -0.549 1.00 0.00 N ATOM 1191 CA MET A 80 -5.910 -8.101 -1.621 1.00 0.00 C ATOM 1192 C MET A 80 -4.621 -8.686 -1.054 1.00 0.00 C ATOM 1193 O MET A 80 -4.171 -9.751 -1.478 1.00 0.00 O ATOM 1194 CB MET A 80 -5.588 -6.911 -2.526 1.00 0.00 C ATOM 1195 CG MET A 80 -6.716 -6.550 -3.480 1.00 0.00 C ATOM 1196 SD MET A 80 -6.601 -7.422 -5.054 1.00 0.00 S ATOM 1197 CE MET A 80 -7.910 -8.631 -4.868 1.00 0.00 C ATOM 0 H MET A 80 -7.221 -6.767 -0.671 1.00 0.00 H new ATOM 0 HA MET A 80 -6.410 -8.871 -2.209 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.357 -6.045 -1.905 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.692 -7.137 -3.104 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.672 -6.781 -3.010 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.702 -5.475 -3.663 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.386 -8.803 -5.833 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.491 -9.567 -4.498 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.650 -8.260 -4.159 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.029 -7.984 -0.093 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.792 -8.435 0.533 1.00 0.00 C ATOM 1209 C ALA A 81 -2.833 -9.932 0.813 1.00 0.00 C ATOM 1210 O ALA A 81 -1.914 -10.667 0.450 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.540 -7.662 1.819 1.00 0.00 C ATOM 0 H ALA A 81 -4.387 -7.100 0.269 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.972 -8.244 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.613 -8.009 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.458 -6.599 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.368 -7.824 2.509 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.904 -10.380 1.459 1.00 0.00 N ATOM 1218 CA ARG A 82 -4.064 -11.792 1.789 1.00 0.00 C ATOM 1219 C ARG A 82 -4.351 -12.614 0.536 1.00 0.00 C ATOM 1220 O ARG A 82 -3.822 -13.713 0.367 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.196 -11.976 2.802 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.505 -13.431 3.112 1.00 0.00 C ATOM 1223 CD ARG A 82 -6.558 -13.990 2.167 1.00 0.00 C ATOM 1224 NE ARG A 82 -7.160 -15.216 2.683 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.514 -16.375 2.765 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -5.252 -16.463 2.369 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -7.131 -17.447 3.246 1.00 0.00 N ATOM 0 H ARG A 82 -4.675 -9.786 1.765 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.131 -12.144 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.931 -11.465 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.096 -11.496 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.593 -14.023 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.854 -13.519 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.336 -13.243 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.105 -14.189 1.196 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.130 -15.181 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.775 -15.640 2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.758 -17.353 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.102 -17.382 3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.635 -18.336 3.309 1.00 0.00 H new ATOM 1241 N LYS A 83 -5.191 -12.074 -0.340 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.549 -12.756 -1.579 1.00 0.00 C ATOM 1243 C LYS A 83 -4.300 -13.203 -2.333 1.00 0.00 C ATOM 1244 O LYS A 83 -4.153 -14.381 -2.665 1.00 0.00 O ATOM 1245 CB LYS A 83 -6.391 -11.837 -2.467 1.00 0.00 C ATOM 1246 CG LYS A 83 -7.280 -12.585 -3.444 1.00 0.00 C ATOM 1247 CD LYS A 83 -8.579 -13.027 -2.792 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.381 -13.939 -3.709 1.00 0.00 C ATOM 1249 NZ LYS A 83 -10.671 -14.352 -3.090 1.00 0.00 N ATOM 0 H LYS A 83 -5.637 -11.165 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.134 -13.639 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.013 -11.204 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.727 -11.176 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.500 -11.946 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.749 -13.457 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.361 -13.548 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.175 -12.151 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.578 -13.426 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.792 -14.825 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.188 -14.972 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.483 -14.864 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.244 -13.508 -2.887 1.00 0.00 H new ATOM 1263 N ILE A 84 -3.405 -12.259 -2.599 1.00 0.00 N ATOM 1264 CA ILE A 84 -2.169 -12.558 -3.312 1.00 0.00 C ATOM 1265 C ILE A 84 -1.181 -13.294 -2.414 1.00 0.00 C ATOM 1266 O ILE A 84 -0.313 -14.022 -2.894 1.00 0.00 O ATOM 1267 CB ILE A 84 -1.502 -11.275 -3.845 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -1.253 -10.290 -2.701 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -2.367 -10.638 -4.922 1.00 0.00 C ATOM 1270 CD1 ILE A 84 -0.263 -9.201 -3.046 1.00 0.00 C ATOM 0 H ILE A 84 -3.512 -11.280 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.437 -13.196 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.541 -11.539 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.200 -9.832 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.889 -10.839 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.883 -9.733 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.497 -11.339 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.341 -10.385 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.136 -8.540 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.696 -9.650 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.635 -8.627 -3.895 1.00 0.00 H new ATOM 1282 N GLY A 85 -1.321 -13.103 -1.105 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.437 -13.758 -0.160 1.00 0.00 C ATOM 1284 C GLY A 85 0.281 -12.772 0.741 1.00 0.00 C ATOM 1285 O GLY A 85 1.434 -12.419 0.492 1.00 0.00 O ATOM 0 H GLY A 85 -2.032 -12.506 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.014 -14.451 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.298 -14.350 -0.705 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.402 -12.326 1.789 1.00 0.00 N ATOM 1290 CA ALA A 86 0.178 -11.376 2.731 1.00 0.00 C ATOM 1291 C ALA A 86 -0.758 -11.130 3.909 1.00 0.00 C ATOM 1292 O ALA A 86 -1.853 -10.591 3.744 1.00 0.00 O ATOM 1293 CB ALA A 86 0.498 -10.065 2.026 1.00 0.00 C ATOM 0 H ALA A 86 -1.358 -12.607 2.008 1.00 0.00 H new ATOM 0 HA ALA A 86 1.102 -11.804 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.930 -9.364 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.210 -10.249 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.417 -9.642 1.611 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.320 -11.529 5.099 1.00 0.00 N ATOM 1300 CA ARG A 87 -1.120 -11.354 6.305 1.00 0.00 C ATOM 1301 C ARG A 87 -0.964 -9.942 6.861 1.00 0.00 C ATOM 1302 O ARG A 87 0.152 -9.461 7.060 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.713 -12.379 7.366 1.00 0.00 C ATOM 1304 CG ARG A 87 -1.160 -13.796 7.047 1.00 0.00 C ATOM 1305 CD ARG A 87 -0.129 -14.530 6.204 1.00 0.00 C ATOM 1306 NE ARG A 87 1.083 -14.833 6.962 1.00 0.00 N ATOM 1307 CZ ARG A 87 1.990 -15.722 6.572 1.00 0.00 C ATOM 1308 NH1 ARG A 87 1.823 -16.390 5.438 1.00 0.00 N ATOM 1309 NH2 ARG A 87 3.065 -15.943 7.316 1.00 0.00 N ATOM 0 H ARG A 87 0.584 -11.975 5.253 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.166 -11.509 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.371 -12.365 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.134 -12.082 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.329 -14.343 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.112 -13.767 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.562 -15.457 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.128 -13.923 5.336 1.00 0.00 H new ATOM 0 HE ARG A 87 1.241 -14.335 7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.997 -16.221 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.521 -17.072 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.196 -15.430 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.761 -16.626 7.016 1.00 0.00 H new ATOM 1323 N VAL A 88 -2.091 -9.281 7.110 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.080 -7.925 7.642 1.00 0.00 C ATOM 1325 C VAL A 88 -3.006 -7.800 8.847 1.00 0.00 C ATOM 1326 O VAL A 88 -4.072 -8.413 8.890 1.00 0.00 O ATOM 1327 CB VAL A 88 -2.504 -6.899 6.575 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -2.466 -5.489 7.145 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -1.615 -7.010 5.347 1.00 0.00 C ATOM 0 H VAL A 88 -3.023 -9.664 6.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.056 -7.715 7.950 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.529 -7.116 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.769 -4.778 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.149 -5.420 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.453 -5.257 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.929 -6.278 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.579 -6.820 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.698 -8.012 4.927 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.591 -7.001 9.825 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.382 -6.798 11.033 1.00 0.00 C ATOM 1341 C TYR A 89 -3.871 -5.356 11.127 1.00 0.00 C ATOM 1342 O TYR A 89 -3.695 -4.694 12.149 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.558 -7.150 12.273 1.00 0.00 C ATOM 1344 CG TYR A 89 -2.028 -8.566 12.266 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -0.877 -8.895 11.559 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -2.677 -9.576 12.966 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -0.390 -10.187 11.549 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -2.196 -10.870 12.963 1.00 0.00 C ATOM 1349 CZ TYR A 89 -1.052 -11.171 12.253 1.00 0.00 C ATOM 1350 OH TYR A 89 -0.569 -12.459 12.246 1.00 0.00 O ATOM 0 H TYR A 89 -1.712 -6.484 9.804 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.250 -7.455 10.983 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.720 -6.458 12.350 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.174 -7.006 13.161 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.355 -8.127 11.008 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.573 -9.345 13.522 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.505 -10.426 10.993 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.712 -11.642 13.513 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.150 -13.029 12.791 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.487 -4.876 10.051 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.005 -3.514 10.011 1.00 0.00 C ATOM 1362 C ALA A 90 -6.520 -3.509 9.831 1.00 0.00 C ATOM 1363 O ALA A 90 -7.152 -4.563 9.765 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.335 -2.728 8.895 1.00 0.00 C ATOM 0 H ALA A 90 -4.639 -5.410 9.196 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.777 -3.036 10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.731 -1.713 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.259 -2.695 9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.533 -3.212 7.939 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.096 -2.314 9.751 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.537 -2.169 9.579 1.00 0.00 C ATOM 1372 C LEU A 91 -8.856 -1.145 8.494 1.00 0.00 C ATOM 1373 O LEU A 91 -8.274 -0.062 8.440 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.190 -1.754 10.898 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.701 -1.962 10.993 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.025 -3.434 11.198 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.285 -1.125 12.123 1.00 0.00 C ATOM 0 H LEU A 91 -6.587 -1.432 9.803 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.940 -3.134 9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.715 -2.310 11.706 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.977 -0.699 11.070 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.152 -1.638 10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.105 -3.563 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.641 -4.012 10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.561 -3.784 12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.362 -1.286 12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.827 -1.419 13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.084 -0.070 11.936 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.804 -1.492 7.612 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.224 -0.615 6.515 1.00 0.00 C ATOM 1391 C PRO A 92 -10.994 0.604 7.011 1.00 0.00 C ATOM 1392 O PRO A 92 -11.029 1.640 6.347 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.132 -1.513 5.671 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.645 -2.537 6.623 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.540 -2.768 7.617 1.00 0.00 C ATOM 0 HA PRO A 92 -9.373 -0.211 5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.948 -0.944 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.581 -1.975 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.551 -2.189 7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.901 -3.460 6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.932 -3.002 8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.902 -3.601 7.322 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.609 0.475 8.182 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.380 1.568 8.765 1.00 0.00 C ATOM 1405 C GLU A 93 -11.459 2.689 9.238 1.00 0.00 C ATOM 1406 O GLU A 93 -11.861 3.851 9.305 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.224 1.059 9.934 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.029 -0.188 9.607 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.010 -0.554 10.704 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.830 0.309 11.080 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -14.957 -1.704 11.187 1.00 0.00 O ATOM 0 H GLU A 93 -11.589 -0.375 8.746 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.042 1.964 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.569 0.847 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.906 1.849 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.573 -0.031 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.348 -1.022 9.441 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.222 2.332 9.567 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.243 3.307 10.033 1.00 0.00 C ATOM 1420 C ASP A 94 -8.443 3.876 8.866 1.00 0.00 C ATOM 1421 O ASP A 94 -8.077 5.051 8.864 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.299 2.666 11.051 1.00 0.00 C ATOM 1423 CG ASP A 94 -7.124 1.970 10.393 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -6.225 2.675 9.888 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -7.104 0.722 10.382 1.00 0.00 O ATOM 0 H ASP A 94 -9.874 1.374 9.520 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.781 4.125 10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.929 3.433 11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.853 1.946 11.653 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.173 3.033 7.875 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.414 3.451 6.700 1.00 0.00 C ATOM 1432 C LEU A 95 -8.065 4.657 6.033 1.00 0.00 C ATOM 1433 O LEU A 95 -7.390 5.626 5.683 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.307 2.297 5.702 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.647 2.629 4.363 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.281 3.260 4.582 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.526 1.378 3.504 1.00 0.00 C ATOM 0 H LEU A 95 -8.468 2.057 7.861 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.413 3.736 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.746 1.488 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.310 1.918 5.506 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.276 3.348 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.827 3.489 3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.393 4.179 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.642 2.565 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.054 1.633 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.919 0.637 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.518 0.967 3.317 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.381 4.594 5.861 1.00 0.00 N ATOM 1450 CA VAL A 96 -10.125 5.683 5.239 1.00 0.00 C ATOM 1451 C VAL A 96 -9.775 7.023 5.877 1.00 0.00 C ATOM 1452 O VAL A 96 -9.731 8.051 5.202 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.645 5.457 5.345 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.403 6.647 4.773 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.043 4.171 4.637 1.00 0.00 C ATOM 0 H VAL A 96 -9.955 3.800 6.144 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.841 5.700 4.187 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.908 5.361 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.475 6.470 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.140 7.547 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.137 6.777 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.120 4.027 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.767 4.235 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.527 3.328 5.097 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.526 7.003 7.183 1.00 0.00 N ATOM 1466 CA GLU A 97 -9.180 8.218 7.913 1.00 0.00 C ATOM 1467 C GLU A 97 -7.667 8.397 7.983 1.00 0.00 C ATOM 1468 O GLU A 97 -7.149 9.047 8.891 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.767 8.175 9.325 1.00 0.00 C ATOM 1470 CG GLU A 97 -11.284 8.107 9.352 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.845 8.176 10.760 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.374 9.026 11.545 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.755 7.381 11.076 1.00 0.00 O ATOM 0 H GLU A 97 -9.557 6.160 7.757 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.604 9.067 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.364 7.310 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.442 9.060 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.692 8.928 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.611 7.181 8.879 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.962 7.815 7.017 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.507 7.911 6.968 1.00 0.00 C ATOM 1482 C VAL A 98 -4.900 7.761 8.358 1.00 0.00 C ATOM 1483 O VAL A 98 -4.120 8.603 8.801 1.00 0.00 O ATOM 1484 CB VAL A 98 -5.053 9.253 6.364 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -3.540 9.285 6.213 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.736 9.491 5.026 1.00 0.00 C ATOM 0 H VAL A 98 -7.375 7.272 6.258 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.157 7.098 6.332 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.343 10.055 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.237 10.241 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.074 9.162 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.223 8.476 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.404 10.443 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.477 8.687 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.816 9.514 5.168 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.263 6.681 9.043 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.753 6.419 10.384 1.00 0.00 C ATOM 1498 C ASN A 99 -3.484 5.575 10.329 1.00 0.00 C ATOM 1499 O ASN A 99 -3.502 4.406 9.942 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.815 5.709 11.226 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.711 6.683 11.969 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.239 7.667 12.539 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -8.010 6.411 11.966 1.00 0.00 N ATOM 0 H ASN A 99 -5.908 5.973 8.691 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.511 7.376 10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.426 5.079 10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.325 5.050 11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.662 7.029 12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.357 5.584 11.480 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.354 6.179 10.726 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.054 5.501 10.731 1.00 0.00 C ATOM 1512 C PRO A 100 -0.969 4.421 11.804 1.00 0.00 C ATOM 1513 O PRO A 100 0.058 3.757 11.951 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.066 6.632 11.030 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.867 7.651 11.764 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.258 7.571 11.198 1.00 0.00 C ATOM 0 HA PRO A 100 -0.859 4.984 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.771 6.278 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.353 7.044 10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.869 7.448 12.835 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.448 8.648 11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.012 7.792 11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.403 8.282 10.385 1.00 0.00 H new ATOM 1524 N LYS A 101 -2.053 4.250 12.552 1.00 0.00 N ATOM 1525 CA LYS A 101 -2.102 3.249 13.611 1.00 0.00 C ATOM 1526 C LYS A 101 -2.144 1.841 13.027 1.00 0.00 C ATOM 1527 O LYS A 101 -1.551 0.913 13.576 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.324 3.480 14.503 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.459 4.911 14.991 1.00 0.00 C ATOM 1530 CD LYS A 101 -2.409 5.245 16.039 1.00 0.00 C ATOM 1531 CE LYS A 101 -2.749 4.625 17.386 1.00 0.00 C ATOM 1532 NZ LYS A 101 -2.312 3.204 17.467 1.00 0.00 N ATOM 0 H LYS A 101 -2.910 4.792 12.445 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.198 3.347 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.223 3.207 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.265 2.815 15.365 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.363 5.595 14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.454 5.061 15.411 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.435 4.885 15.707 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.330 6.327 16.145 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.271 5.198 18.181 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.825 4.685 17.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.138 2.580 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.633 3.006 16.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.859 3.032 18.387 1.00 0.00 H new ATOM 1546 N MET A 102 -2.848 1.689 11.910 1.00 0.00 N ATOM 1547 CA MET A 102 -2.965 0.393 11.251 1.00 0.00 C ATOM 1548 C MET A 102 -2.077 0.332 10.012 1.00 0.00 C ATOM 1549 O MET A 102 -1.465 -0.697 9.726 1.00 0.00 O ATOM 1550 CB MET A 102 -4.421 0.124 10.864 1.00 0.00 C ATOM 1551 CG MET A 102 -5.242 -0.495 11.982 1.00 0.00 C ATOM 1552 SD MET A 102 -5.645 0.685 13.283 1.00 0.00 S ATOM 1553 CE MET A 102 -4.746 -0.014 14.666 1.00 0.00 C ATOM 0 H MET A 102 -3.346 2.447 11.442 1.00 0.00 H new ATOM 0 HA MET A 102 -2.635 -0.375 11.951 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.886 1.061 10.559 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.442 -0.539 9.999 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.164 -0.902 11.568 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.690 -1.330 12.413 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.764 0.685 15.502 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.213 -0.952 14.967 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.713 -0.201 14.372 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.012 1.440 9.281 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.199 1.511 8.073 1.00 0.00 C ATOM 1565 C VAL A 103 0.213 0.995 8.330 1.00 0.00 C ATOM 1566 O VAL A 103 0.923 0.611 7.400 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.116 2.954 7.536 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.066 3.057 6.441 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.475 3.411 7.028 1.00 0.00 C ATOM 0 H VAL A 103 -2.512 2.300 9.504 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.684 0.881 7.328 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.819 3.611 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.022 4.083 6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.907 2.773 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.329 2.389 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.399 4.431 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.803 2.752 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.198 3.377 7.843 1.00 0.00 H new ATOM 1579 N MET A 104 0.613 0.990 9.597 1.00 0.00 N ATOM 1580 CA MET A 104 1.941 0.518 9.976 1.00 0.00 C ATOM 1581 C MET A 104 2.174 -0.905 9.483 1.00 0.00 C ATOM 1582 O MET A 104 3.295 -1.277 9.133 1.00 0.00 O ATOM 1583 CB MET A 104 2.111 0.578 11.496 1.00 0.00 C ATOM 1584 CG MET A 104 0.833 0.280 12.263 1.00 0.00 C ATOM 1585 SD MET A 104 1.147 -0.483 13.867 1.00 0.00 S ATOM 1586 CE MET A 104 0.109 -1.938 13.758 1.00 0.00 C ATOM 0 H MET A 104 0.038 1.307 10.378 1.00 0.00 H new ATOM 0 HA MET A 104 2.678 1.170 9.508 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.879 -0.135 11.796 1.00 0.00 H new ATOM 0 HB3 MET A 104 2.469 1.569 11.774 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.277 1.206 12.408 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.202 -0.381 11.668 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.195 -2.516 14.678 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.928 -1.635 13.615 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.428 -2.550 12.914 1.00 0.00 H new ATOM 1596 N THR A 105 1.108 -1.700 9.456 1.00 0.00 N ATOM 1597 CA THR A 105 1.197 -3.083 9.006 1.00 0.00 C ATOM 1598 C THR A 105 0.780 -3.215 7.546 1.00 0.00 C ATOM 1599 O THR A 105 1.335 -4.023 6.802 1.00 0.00 O ATOM 1600 CB THR A 105 0.318 -4.012 9.865 1.00 0.00 C ATOM 1601 OG1 THR A 105 0.208 -5.297 9.243 1.00 0.00 O ATOM 1602 CG2 THR A 105 -1.069 -3.416 10.058 1.00 0.00 C ATOM 0 H THR A 105 0.173 -1.409 9.741 1.00 0.00 H new ATOM 0 HA THR A 105 2.240 -3.382 9.111 1.00 0.00 H new ATOM 0 HB THR A 105 0.789 -4.122 10.842 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.256 -5.997 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.673 -4.089 10.667 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.984 -2.451 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.545 -3.281 9.087 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.201 -2.415 7.141 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.692 -2.441 5.768 1.00 0.00 C ATOM 1612 C VAL A 106 0.461 -2.406 4.772 1.00 0.00 C ATOM 1613 O VAL A 106 0.426 -3.079 3.742 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.635 -1.256 5.487 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -0.863 -0.087 4.896 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.764 -1.683 4.561 1.00 0.00 C ATOM 0 H VAL A 106 -0.672 -1.741 7.744 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.245 -3.372 5.647 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.073 -0.930 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.546 0.740 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.093 0.233 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.395 -0.395 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.421 -0.834 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.347 -2.035 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -3.334 -2.486 5.028 1.00 0.00 H new ATOM 1626 N PHE A 107 1.484 -1.616 5.086 1.00 0.00 N ATOM 1627 CA PHE A 107 2.649 -1.492 4.218 1.00 0.00 C ATOM 1628 C PHE A 107 3.728 -2.497 4.610 1.00 0.00 C ATOM 1629 O PHE A 107 4.254 -3.220 3.764 1.00 0.00 O ATOM 1630 CB PHE A 107 3.211 -0.071 4.283 1.00 0.00 C ATOM 1631 CG PHE A 107 2.552 0.879 3.324 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.796 0.789 1.963 1.00 0.00 C ATOM 1633 CD2 PHE A 107 1.691 1.862 3.783 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.191 1.661 1.078 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.084 2.738 2.903 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.333 2.636 1.548 1.00 0.00 C ATOM 0 H PHE A 107 1.529 -1.053 5.935 1.00 0.00 H new ATOM 0 HA PHE A 107 2.334 -1.704 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.095 0.311 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.280 -0.102 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 107 3.466 0.029 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.492 1.945 4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.389 1.580 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.416 3.501 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.858 3.317 0.858 1.00 0.00 H new ATOM 1646 N ALA A 108 4.053 -2.535 5.898 1.00 0.00 N ATOM 1647 CA ALA A 108 5.068 -3.450 6.403 1.00 0.00 C ATOM 1648 C ALA A 108 5.012 -4.789 5.674 1.00 0.00 C ATOM 1649 O ALA A 108 6.010 -5.244 5.114 1.00 0.00 O ATOM 1650 CB ALA A 108 4.896 -3.656 7.900 1.00 0.00 C ATOM 0 H ALA A 108 3.628 -1.942 6.611 1.00 0.00 H new ATOM 0 HA ALA A 108 6.046 -3.005 6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.661 -4.342 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.994 -2.699 8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.910 -4.075 8.099 1.00 0.00 H new ATOM 1656 N CYS A 109 3.840 -5.414 5.685 1.00 0.00 N ATOM 1657 CA CYS A 109 3.655 -6.702 5.026 1.00 0.00 C ATOM 1658 C CYS A 109 4.135 -6.647 3.579 1.00 0.00 C ATOM 1659 O CYS A 109 4.705 -7.610 3.065 1.00 0.00 O ATOM 1660 CB CYS A 109 2.183 -7.115 5.072 1.00 0.00 C ATOM 1661 SG CYS A 109 1.913 -8.899 4.956 1.00 0.00 S ATOM 0 H CYS A 109 3.004 -5.050 6.143 1.00 0.00 H new ATOM 0 HA CYS A 109 4.250 -7.444 5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.744 -6.751 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.653 -6.624 4.255 1.00 0.00 H new ATOM 0 HG CYS A 109 1.316 -9.318 6.032 1.00 0.00 H new ATOM 1667 N LEU A 110 3.900 -5.514 2.927 1.00 0.00 N ATOM 1668 CA LEU A 110 4.306 -5.331 1.538 1.00 0.00 C ATOM 1669 C LEU A 110 5.805 -5.061 1.440 1.00 0.00 C ATOM 1670 O LEU A 110 6.431 -5.344 0.419 1.00 0.00 O ATOM 1671 CB LEU A 110 3.526 -4.179 0.904 1.00 0.00 C ATOM 1672 CG LEU A 110 2.004 -4.314 0.913 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.347 -2.973 0.625 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.554 -5.359 -0.098 1.00 0.00 C ATOM 0 H LEU A 110 3.430 -4.708 3.338 1.00 0.00 H new ATOM 0 HA LEU A 110 4.085 -6.251 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.792 -3.258 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.855 -4.069 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 110 1.694 -4.641 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.263 -3.089 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.642 -2.252 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.664 -2.615 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.467 -5.441 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.876 -5.062 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.996 -6.323 0.154 1.00 0.00 H new