USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 49 TYR OH : rot 180:sc= -0.386 USER MOD Set 1.2: A 62 SER OG : rot 91:sc= 1.19 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.034 K(o=-0.034,f=-0.74) USER MOD Single : A 19 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -4.55! C(o=-4.5!,f=-3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -33:sc= 1.29 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 54 SER OG : rot -68:sc= 0.773 USER MOD Single : A 56 SER OG : rot 152:sc= 1.26 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 179:sc= 1.51 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 161:sc= -2.16 (180deg=-3.86!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.992 -12.823 -6.307 1.00 0.00 N ATOM 88 CA LEU A 10 3.009 -11.789 -6.463 1.00 0.00 C ATOM 89 C LEU A 10 4.347 -12.251 -5.894 1.00 0.00 C ATOM 90 O LEU A 10 4.401 -12.862 -4.827 1.00 0.00 O ATOM 91 CB LEU A 10 2.565 -10.500 -5.768 1.00 0.00 C ATOM 92 CG LEU A 10 1.515 -9.668 -6.504 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.056 -8.503 -5.642 1.00 0.00 C ATOM 94 CD2 LEU A 10 2.065 -9.168 -7.832 1.00 0.00 C ATOM 0 HA LEU A 10 3.135 -11.596 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.171 -10.758 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.445 -9.877 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 10 0.653 -10.304 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.309 -7.922 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.621 -8.883 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.909 -7.867 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.304 -8.578 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.944 -8.549 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.342 -10.019 -8.455 1.00 0.00 H new ATOM 106 N SER A 11 5.424 -11.954 -6.614 1.00 0.00 N ATOM 107 CA SER A 11 6.762 -12.341 -6.182 1.00 0.00 C ATOM 108 C SER A 11 7.338 -11.315 -5.211 1.00 0.00 C ATOM 109 O SER A 11 8.420 -10.770 -5.434 1.00 0.00 O ATOM 110 CB SER A 11 7.688 -12.490 -7.391 1.00 0.00 C ATOM 111 OG SER A 11 7.488 -13.737 -8.035 1.00 0.00 O ATOM 0 H SER A 11 5.396 -11.447 -7.499 1.00 0.00 H new ATOM 0 HA SER A 11 6.688 -13.300 -5.669 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.504 -11.679 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.726 -12.405 -7.071 1.00 0.00 H new ATOM 0 HG SER A 11 8.090 -13.808 -8.805 1.00 0.00 H new ATOM 117 N LEU A 12 6.606 -11.056 -4.132 1.00 0.00 N ATOM 118 CA LEU A 12 7.042 -10.095 -3.125 1.00 0.00 C ATOM 119 C LEU A 12 7.328 -10.789 -1.797 1.00 0.00 C ATOM 120 O LEU A 12 7.063 -11.980 -1.639 1.00 0.00 O ATOM 121 CB LEU A 12 5.979 -9.013 -2.929 1.00 0.00 C ATOM 122 CG LEU A 12 5.717 -8.104 -4.131 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.344 -7.459 -4.023 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.800 -7.042 -4.243 1.00 0.00 C ATOM 0 H LEU A 12 5.709 -11.498 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 12 7.963 -9.631 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.042 -9.498 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.275 -8.390 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 12 5.739 -8.713 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.175 -6.816 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.579 -8.235 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.292 -6.863 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.597 -6.405 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.810 -6.436 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.770 -7.523 -4.369 1.00 0.00 H new ATOM 136 N GLY A 13 7.868 -10.035 -0.845 1.00 0.00 N ATOM 137 CA GLY A 13 8.178 -10.595 0.458 1.00 0.00 C ATOM 138 C GLY A 13 7.312 -10.016 1.559 1.00 0.00 C ATOM 139 O GLY A 13 7.022 -8.819 1.566 1.00 0.00 O ATOM 0 H GLY A 13 8.096 -9.047 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.045 -11.676 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.227 -10.410 0.690 1.00 0.00 H new ATOM 143 N ASP A 14 6.896 -10.866 2.491 1.00 0.00 N ATOM 144 CA ASP A 14 6.056 -10.433 3.602 1.00 0.00 C ATOM 145 C ASP A 14 6.423 -9.018 4.040 1.00 0.00 C ATOM 146 O ASP A 14 5.556 -8.153 4.171 1.00 0.00 O ATOM 147 CB ASP A 14 6.196 -11.397 4.781 1.00 0.00 C ATOM 148 CG ASP A 14 7.644 -11.655 5.150 1.00 0.00 C ATOM 149 OD1 ASP A 14 8.327 -12.381 4.399 1.00 0.00 O ATOM 150 OD2 ASP A 14 8.093 -11.130 6.191 1.00 0.00 O ATOM 0 H ASP A 14 7.127 -11.860 2.499 1.00 0.00 H new ATOM 0 HA ASP A 14 5.020 -10.433 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.671 -10.988 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.713 -12.342 4.533 1.00 0.00 H new ATOM 155 N THR A 15 7.713 -8.789 4.266 1.00 0.00 N ATOM 156 CA THR A 15 8.194 -7.481 4.691 1.00 0.00 C ATOM 157 C THR A 15 7.830 -6.404 3.675 1.00 0.00 C ATOM 158 O THR A 15 7.218 -5.394 4.018 1.00 0.00 O ATOM 159 CB THR A 15 9.720 -7.483 4.896 1.00 0.00 C ATOM 160 OG1 THR A 15 10.110 -8.626 5.666 1.00 0.00 O ATOM 161 CG2 THR A 15 10.174 -6.213 5.600 1.00 0.00 C ATOM 0 H THR A 15 8.443 -9.493 4.162 1.00 0.00 H new ATOM 0 HA THR A 15 7.708 -7.259 5.641 1.00 0.00 H new ATOM 0 HB THR A 15 10.195 -7.526 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.082 -8.621 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.256 -6.238 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.902 -5.346 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.690 -6.144 6.574 1.00 0.00 H new ATOM 169 N ALA A 16 8.211 -6.628 2.421 1.00 0.00 N ATOM 170 CA ALA A 16 7.923 -5.678 1.354 1.00 0.00 C ATOM 171 C ALA A 16 6.518 -5.103 1.496 1.00 0.00 C ATOM 172 O ALA A 16 6.325 -3.887 1.440 1.00 0.00 O ATOM 173 CB ALA A 16 8.087 -6.344 -0.004 1.00 0.00 C ATOM 0 H ALA A 16 8.720 -7.459 2.120 1.00 0.00 H new ATOM 0 HA ALA A 16 8.634 -4.856 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.869 -5.623 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.111 -6.701 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.399 -7.186 -0.082 1.00 0.00 H new ATOM 179 N LEU A 17 5.539 -5.982 1.679 1.00 0.00 N ATOM 180 CA LEU A 17 4.150 -5.561 1.829 1.00 0.00 C ATOM 181 C LEU A 17 4.001 -4.577 2.985 1.00 0.00 C ATOM 182 O LEU A 17 3.665 -3.411 2.779 1.00 0.00 O ATOM 183 CB LEU A 17 3.250 -6.776 2.060 1.00 0.00 C ATOM 184 CG LEU A 17 2.677 -7.435 0.805 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.758 -8.212 0.069 1.00 0.00 C ATOM 186 CD2 LEU A 17 1.514 -8.348 1.165 1.00 0.00 C ATOM 0 H LEU A 17 5.681 -6.991 1.727 1.00 0.00 H new ATOM 0 HA LEU A 17 3.847 -5.061 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.819 -7.525 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.420 -6.472 2.698 1.00 0.00 H new ATOM 0 HG LEU A 17 2.307 -6.651 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.332 -8.674 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.559 -7.533 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.159 -8.986 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.119 -8.808 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.859 -9.126 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.730 -7.765 1.648 1.00 0.00 H new ATOM 198 N GLN A 18 4.256 -5.054 4.199 1.00 0.00 N ATOM 199 CA GLN A 18 4.151 -4.215 5.386 1.00 0.00 C ATOM 200 C GLN A 18 4.610 -2.791 5.089 1.00 0.00 C ATOM 201 O GLN A 18 3.928 -1.826 5.430 1.00 0.00 O ATOM 202 CB GLN A 18 4.983 -4.804 6.527 1.00 0.00 C ATOM 203 CG GLN A 18 4.400 -6.082 7.108 1.00 0.00 C ATOM 204 CD GLN A 18 3.318 -5.816 8.136 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.443 -4.914 8.966 1.00 0.00 O ATOM 206 NE2 GLN A 18 2.248 -6.601 8.087 1.00 0.00 N ATOM 0 H GLN A 18 4.537 -6.017 4.386 1.00 0.00 H new ATOM 0 HA GLN A 18 3.104 -4.184 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.991 -5.006 6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.073 -4.062 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.988 -6.688 6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.198 -6.664 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.187 -7.336 7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.488 -6.469 8.754 1.00 0.00 H new ATOM 215 N ASN A 19 5.770 -2.669 4.452 1.00 0.00 N ATOM 216 CA ASN A 19 6.320 -1.363 4.109 1.00 0.00 C ATOM 217 C ASN A 19 5.484 -0.687 3.026 1.00 0.00 C ATOM 218 O ASN A 19 4.866 0.352 3.262 1.00 0.00 O ATOM 219 CB ASN A 19 7.769 -1.504 3.637 1.00 0.00 C ATOM 220 CG ASN A 19 8.751 -1.547 4.791 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.187 -0.509 5.288 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.105 -2.752 5.223 1.00 0.00 N ATOM 0 H ASN A 19 6.347 -3.459 4.163 1.00 0.00 H new ATOM 0 HA ASN A 19 6.295 -0.740 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.868 -2.414 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.018 -0.669 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.763 -2.843 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.718 -3.586 4.781 1.00 0.00 H new ATOM 229 N LEU A 20 5.469 -1.285 1.840 1.00 0.00 N ATOM 230 CA LEU A 20 4.708 -0.742 0.720 1.00 0.00 C ATOM 231 C LEU A 20 3.358 -0.206 1.187 1.00 0.00 C ATOM 232 O LEU A 20 2.872 0.803 0.679 1.00 0.00 O ATOM 233 CB LEU A 20 4.502 -1.815 -0.350 1.00 0.00 C ATOM 234 CG LEU A 20 4.163 -1.309 -1.753 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.880 -0.492 -1.730 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.312 -0.485 -2.314 1.00 0.00 C ATOM 0 H LEU A 20 5.975 -2.145 1.629 1.00 0.00 H new ATOM 0 HA LEU A 20 5.277 0.084 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.409 -2.416 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.702 -2.478 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 20 4.009 -2.171 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.655 -0.140 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.060 -1.113 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.005 0.364 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.054 -0.133 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.497 0.370 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.210 -1.101 -2.367 1.00 0.00 H new ATOM 248 N GLU A 21 2.760 -0.889 2.158 1.00 0.00 N ATOM 249 CA GLU A 21 1.467 -0.481 2.694 1.00 0.00 C ATOM 250 C GLU A 21 1.520 0.956 3.205 1.00 0.00 C ATOM 251 O GLU A 21 0.849 1.839 2.673 1.00 0.00 O ATOM 252 CB GLU A 21 1.038 -1.420 3.823 1.00 0.00 C ATOM 253 CG GLU A 21 0.567 -2.781 3.336 1.00 0.00 C ATOM 254 CD GLU A 21 -0.145 -3.572 4.417 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.907 -2.962 5.195 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.061 -4.802 4.483 1.00 0.00 O ATOM 0 H GLU A 21 3.150 -1.727 2.589 1.00 0.00 H new ATOM 0 HA GLU A 21 0.735 -0.536 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.875 -1.558 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.236 -0.949 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.104 -2.647 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.424 -3.351 2.978 1.00 0.00 H new ATOM 263 N GLN A 22 2.321 1.180 4.242 1.00 0.00 N ATOM 264 CA GLN A 22 2.460 2.508 4.826 1.00 0.00 C ATOM 265 C GLN A 22 2.850 3.532 3.765 1.00 0.00 C ATOM 266 O GLN A 22 2.239 4.596 3.659 1.00 0.00 O ATOM 267 CB GLN A 22 3.505 2.491 5.943 1.00 0.00 C ATOM 268 CG GLN A 22 3.333 1.338 6.919 1.00 0.00 C ATOM 269 CD GLN A 22 3.843 1.667 8.308 1.00 0.00 C ATOM 270 OE1 GLN A 22 5.005 1.416 8.631 1.00 0.00 O ATOM 271 NE2 GLN A 22 2.976 2.234 9.139 1.00 0.00 N ATOM 0 H GLN A 22 2.883 0.459 4.694 1.00 0.00 H new ATOM 0 HA GLN A 22 1.495 2.795 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.499 2.435 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.454 3.431 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.278 1.071 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.862 0.464 6.540 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.023 2.424 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.263 2.479 10.086 1.00 0.00 H new ATOM 280 N LEU A 23 3.872 3.204 2.981 1.00 0.00 N ATOM 281 CA LEU A 23 4.344 4.095 1.928 1.00 0.00 C ATOM 282 C LEU A 23 3.175 4.662 1.129 1.00 0.00 C ATOM 283 O LEU A 23 3.278 5.736 0.535 1.00 0.00 O ATOM 284 CB LEU A 23 5.301 3.351 0.995 1.00 0.00 C ATOM 285 CG LEU A 23 6.781 3.390 1.380 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.603 2.534 0.430 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.292 4.824 1.387 1.00 0.00 C ATOM 0 H LEU A 23 4.389 2.328 3.055 1.00 0.00 H new ATOM 0 HA LEU A 23 4.874 4.923 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.987 2.308 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.196 3.767 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 23 6.886 2.983 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.653 2.574 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.254 1.503 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.493 2.911 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.346 4.833 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.173 5.258 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.723 5.410 2.109 1.00 0.00 H new ATOM 299 N LEU A 24 2.064 3.934 1.119 1.00 0.00 N ATOM 300 CA LEU A 24 0.874 4.365 0.394 1.00 0.00 C ATOM 301 C LEU A 24 -0.082 5.116 1.316 1.00 0.00 C ATOM 302 O LEU A 24 -0.766 6.047 0.891 1.00 0.00 O ATOM 303 CB LEU A 24 0.163 3.158 -0.222 1.00 0.00 C ATOM 304 CG LEU A 24 0.609 2.764 -1.630 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.008 1.434 -2.033 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.241 3.850 -2.631 1.00 0.00 C ATOM 0 H LEU A 24 1.962 3.043 1.605 1.00 0.00 H new ATOM 0 HA LEU A 24 1.188 5.040 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.307 2.301 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.907 3.365 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 24 1.693 2.653 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.321 1.170 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.307 0.660 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.095 1.517 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.566 3.552 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.839 3.995 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.732 4.783 -2.353 1.00 0.00 H new ATOM 318 N ASP A 25 -0.123 4.706 2.579 1.00 0.00 N ATOM 319 CA ASP A 25 -0.992 5.342 3.562 1.00 0.00 C ATOM 320 C ASP A 25 -0.187 6.230 4.505 1.00 0.00 C ATOM 321 O ASP A 25 0.646 5.745 5.271 1.00 0.00 O ATOM 322 CB ASP A 25 -1.753 4.284 4.362 1.00 0.00 C ATOM 323 CG ASP A 25 -0.827 3.372 5.142 1.00 0.00 C ATOM 324 OD1 ASP A 25 -0.361 3.784 6.225 1.00 0.00 O ATOM 325 OD2 ASP A 25 -0.569 2.245 4.670 1.00 0.00 O ATOM 0 H ASP A 25 0.436 3.936 2.946 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.708 5.966 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.438 4.777 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.360 3.686 3.683 1.00 0.00 H new ATOM 330 N GLY A 26 -0.440 7.534 4.444 1.00 0.00 N ATOM 331 CA GLY A 26 0.270 8.469 5.297 1.00 0.00 C ATOM 332 C GLY A 26 0.339 9.861 4.701 1.00 0.00 C ATOM 333 O GLY A 26 0.209 10.048 3.491 1.00 0.00 O ATOM 0 H GLY A 26 -1.124 7.960 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.223 8.517 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.281 8.101 5.471 1.00 0.00 H new ATOM 337 N PRO A 27 0.547 10.868 5.562 1.00 0.00 N ATOM 338 CA PRO A 27 0.637 12.268 5.136 1.00 0.00 C ATOM 339 C PRO A 27 1.908 12.553 4.343 1.00 0.00 C ATOM 340 O PRO A 27 1.934 13.444 3.495 1.00 0.00 O ATOM 341 CB PRO A 27 0.646 13.041 6.457 1.00 0.00 C ATOM 342 CG PRO A 27 1.185 12.076 7.456 1.00 0.00 C ATOM 343 CD PRO A 27 0.712 10.718 7.017 1.00 0.00 C ATOM 0 HA PRO A 27 -0.181 12.544 4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.270 13.932 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.356 13.373 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.274 12.118 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.825 12.310 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.437 9.942 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.225 10.443 7.501 1.00 0.00 H new ATOM 351 N GLU A 28 2.959 11.790 4.626 1.00 0.00 N ATOM 352 CA GLU A 28 4.234 11.962 3.938 1.00 0.00 C ATOM 353 C GLU A 28 4.213 11.278 2.574 1.00 0.00 C ATOM 354 O GLU A 28 4.875 11.720 1.636 1.00 0.00 O ATOM 355 CB GLU A 28 5.376 11.399 4.786 1.00 0.00 C ATOM 356 CG GLU A 28 6.709 12.087 4.544 1.00 0.00 C ATOM 357 CD GLU A 28 7.877 11.317 5.130 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.198 10.233 4.600 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.470 11.798 6.118 1.00 0.00 O ATOM 0 H GLU A 28 2.953 11.048 5.326 1.00 0.00 H new ATOM 0 HA GLU A 28 4.395 13.029 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.115 11.492 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.483 10.335 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.861 12.210 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.682 13.086 4.979 1.00 0.00 H new ATOM 366 N ALA A 29 3.448 10.195 2.474 1.00 0.00 N ATOM 367 CA ALA A 29 3.339 9.450 1.225 1.00 0.00 C ATOM 368 C ALA A 29 3.176 10.391 0.037 1.00 0.00 C ATOM 369 O ALA A 29 2.129 11.016 -0.132 1.00 0.00 O ATOM 370 CB ALA A 29 2.174 8.475 1.293 1.00 0.00 C ATOM 0 H ALA A 29 2.895 9.814 3.242 1.00 0.00 H new ATOM 0 HA ALA A 29 4.262 8.887 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.104 7.926 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.333 7.774 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.248 9.025 1.461 1.00 0.00 H new ATOM 376 N GLN A 30 4.218 10.488 -0.783 1.00 0.00 N ATOM 377 CA GLN A 30 4.189 11.355 -1.955 1.00 0.00 C ATOM 378 C GLN A 30 2.852 11.245 -2.680 1.00 0.00 C ATOM 379 O GLN A 30 2.446 12.159 -3.397 1.00 0.00 O ATOM 380 CB GLN A 30 5.330 10.997 -2.908 1.00 0.00 C ATOM 381 CG GLN A 30 5.829 12.174 -3.731 1.00 0.00 C ATOM 382 CD GLN A 30 4.743 12.783 -4.596 1.00 0.00 C ATOM 383 OE1 GLN A 30 4.403 13.958 -4.451 1.00 0.00 O ATOM 384 NE2 GLN A 30 4.191 11.985 -5.502 1.00 0.00 N ATOM 0 H GLN A 30 5.092 9.977 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 30 4.315 12.384 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.160 10.590 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.995 10.209 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.227 12.938 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.652 11.846 -4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.503 11.018 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.454 12.339 -6.112 1.00 0.00 H new ATOM 393 N GLY A 31 2.171 10.120 -2.489 1.00 0.00 N ATOM 394 CA GLY A 31 0.886 9.912 -3.132 1.00 0.00 C ATOM 395 C GLY A 31 -0.114 9.227 -2.221 1.00 0.00 C ATOM 396 O GLY A 31 -0.307 9.640 -1.078 1.00 0.00 O ATOM 0 H GLY A 31 2.486 9.349 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.483 10.873 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.026 9.311 -4.030 1.00 0.00 H new ATOM 400 N SER A 32 -0.752 8.178 -2.729 1.00 0.00 N ATOM 401 CA SER A 32 -1.742 7.437 -1.956 1.00 0.00 C ATOM 402 C SER A 32 -2.118 6.136 -2.658 1.00 0.00 C ATOM 403 O SER A 32 -1.623 5.840 -3.745 1.00 0.00 O ATOM 404 CB SER A 32 -2.993 8.291 -1.737 1.00 0.00 C ATOM 405 OG SER A 32 -3.780 7.781 -0.675 1.00 0.00 O ATOM 0 H SER A 32 -0.601 7.822 -3.673 1.00 0.00 H new ATOM 0 HA SER A 32 -1.302 7.194 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.702 9.318 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.584 8.316 -2.652 1.00 0.00 H new ATOM 0 HG SER A 32 -4.572 8.345 -0.555 1.00 0.00 H new ATOM 411 N TRP A 33 -2.995 5.363 -2.028 1.00 0.00 N ATOM 412 CA TRP A 33 -3.438 4.093 -2.591 1.00 0.00 C ATOM 413 C TRP A 33 -4.698 4.278 -3.428 1.00 0.00 C ATOM 414 O TRP A 33 -4.813 3.730 -4.524 1.00 0.00 O ATOM 415 CB TRP A 33 -3.696 3.079 -1.475 1.00 0.00 C ATOM 416 CG TRP A 33 -4.662 3.569 -0.439 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.358 4.221 0.722 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.088 3.446 -0.471 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.510 4.509 1.414 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.585 4.045 0.704 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.995 2.889 -1.377 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.945 4.101 0.993 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.345 2.945 -1.089 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.810 3.548 0.088 1.00 0.00 C ATOM 0 H TRP A 33 -3.413 5.594 -1.127 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.647 3.716 -3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.080 2.158 -1.913 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.750 2.832 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.360 4.473 1.048 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.557 4.991 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.646 2.423 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.305 4.565 1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.054 2.517 -1.782 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.872 3.577 0.284 1.00 0.00 H new ATOM 435 N ALA A 34 -5.642 5.055 -2.906 1.00 0.00 N ATOM 436 CA ALA A 34 -6.893 5.315 -3.607 1.00 0.00 C ATOM 437 C ALA A 34 -6.654 5.513 -5.100 1.00 0.00 C ATOM 438 O ALA A 34 -7.123 4.726 -5.922 1.00 0.00 O ATOM 439 CB ALA A 34 -7.587 6.532 -3.015 1.00 0.00 C ATOM 0 H ALA A 34 -5.564 5.515 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.539 4.446 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.520 6.714 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.801 6.352 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.938 7.403 -3.110 1.00 0.00 H new ATOM 445 N GLU A 35 -5.924 6.569 -5.443 1.00 0.00 N ATOM 446 CA GLU A 35 -5.626 6.871 -6.838 1.00 0.00 C ATOM 447 C GLU A 35 -4.940 5.688 -7.516 1.00 0.00 C ATOM 448 O GLU A 35 -5.314 5.287 -8.619 1.00 0.00 O ATOM 449 CB GLU A 35 -4.738 8.113 -6.936 1.00 0.00 C ATOM 450 CG GLU A 35 -4.526 8.599 -8.361 1.00 0.00 C ATOM 451 CD GLU A 35 -3.771 9.912 -8.423 1.00 0.00 C ATOM 452 OE1 GLU A 35 -2.524 9.877 -8.492 1.00 0.00 O ATOM 453 OE2 GLU A 35 -4.426 10.975 -8.402 1.00 0.00 O ATOM 0 H GLU A 35 -5.528 7.230 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.568 7.066 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.185 8.916 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.769 7.893 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.977 7.842 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.494 8.717 -8.848 1.00 0.00 H new ATOM 460 N LEU A 36 -3.934 5.133 -6.848 1.00 0.00 N ATOM 461 CA LEU A 36 -3.195 3.996 -7.385 1.00 0.00 C ATOM 462 C LEU A 36 -4.147 2.916 -7.889 1.00 0.00 C ATOM 463 O LEU A 36 -4.026 2.447 -9.020 1.00 0.00 O ATOM 464 CB LEU A 36 -2.267 3.415 -6.316 1.00 0.00 C ATOM 465 CG LEU A 36 -1.687 2.032 -6.611 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.781 2.081 -7.831 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.929 1.503 -5.402 1.00 0.00 C ATOM 0 H LEU A 36 -3.612 5.452 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.597 4.348 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.440 4.109 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.816 3.364 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.511 1.352 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.378 1.087 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.353 2.415 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.039 2.776 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.523 0.517 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.114 2.184 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.607 1.428 -4.552 1.00 0.00 H new ATOM 479 N ALA A 37 -5.095 2.528 -7.042 1.00 0.00 N ATOM 480 CA ALA A 37 -6.071 1.507 -7.404 1.00 0.00 C ATOM 481 C ALA A 37 -6.761 1.849 -8.720 1.00 0.00 C ATOM 482 O ALA A 37 -6.857 1.011 -9.616 1.00 0.00 O ATOM 483 CB ALA A 37 -7.098 1.343 -6.293 1.00 0.00 C ATOM 0 H ALA A 37 -5.208 2.905 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.542 0.563 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.821 0.578 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.595 1.044 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.615 2.289 -6.133 1.00 0.00 H new ATOM 489 N GLU A 38 -7.241 3.084 -8.828 1.00 0.00 N ATOM 490 CA GLU A 38 -7.924 3.534 -10.035 1.00 0.00 C ATOM 491 C GLU A 38 -7.070 3.274 -11.273 1.00 0.00 C ATOM 492 O GLU A 38 -7.554 2.748 -12.275 1.00 0.00 O ATOM 493 CB GLU A 38 -8.255 5.024 -9.934 1.00 0.00 C ATOM 494 CG GLU A 38 -9.166 5.368 -8.768 1.00 0.00 C ATOM 495 CD GLU A 38 -9.846 6.713 -8.935 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.623 6.870 -9.900 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.601 7.609 -8.100 1.00 0.00 O ATOM 0 H GLU A 38 -7.170 3.790 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.851 2.968 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.327 5.588 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.729 5.346 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.925 4.592 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.584 5.371 -7.846 1.00 0.00 H new ATOM 504 N ARG A 39 -5.797 3.648 -11.195 1.00 0.00 N ATOM 505 CA ARG A 39 -4.875 3.457 -12.308 1.00 0.00 C ATOM 506 C ARG A 39 -4.819 1.990 -12.723 1.00 0.00 C ATOM 507 O ARG A 39 -4.734 1.672 -13.910 1.00 0.00 O ATOM 508 CB ARG A 39 -3.476 3.945 -11.929 1.00 0.00 C ATOM 509 CG ARG A 39 -3.399 5.443 -11.679 1.00 0.00 C ATOM 510 CD ARG A 39 -1.992 5.973 -11.900 1.00 0.00 C ATOM 511 NE ARG A 39 -1.982 7.411 -12.154 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.213 7.948 -13.348 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.470 7.170 -14.390 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.187 9.266 -13.499 1.00 0.00 N ATOM 0 H ARG A 39 -5.381 4.085 -10.373 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.240 4.041 -13.153 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.147 3.419 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.781 3.682 -12.726 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.092 5.960 -12.343 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.714 5.659 -10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.381 5.755 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.537 5.453 -12.743 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.787 8.037 -11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.491 6.157 -14.277 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.647 7.585 -15.305 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.990 9.867 -12.699 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.364 9.678 -14.415 1.00 0.00 H new ATOM 528 N LEU A 40 -4.867 1.100 -11.737 1.00 0.00 N ATOM 529 CA LEU A 40 -4.821 -0.334 -11.999 1.00 0.00 C ATOM 530 C LEU A 40 -6.156 -0.832 -12.542 1.00 0.00 C ATOM 531 O LEU A 40 -6.200 -1.707 -13.405 1.00 0.00 O ATOM 532 CB LEU A 40 -4.462 -1.094 -10.721 1.00 0.00 C ATOM 533 CG LEU A 40 -3.151 -0.690 -10.045 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.140 -1.135 -8.591 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.963 -1.277 -10.793 1.00 0.00 C ATOM 0 H LEU A 40 -4.938 1.346 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.054 -0.516 -12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.273 -0.962 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.414 -2.157 -10.956 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.071 0.397 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.199 -0.839 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.969 -0.667 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.243 -2.219 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.038 -0.979 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.038 -2.364 -10.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.961 -0.908 -11.819 1.00 0.00 H new ATOM 547 N GLY A 41 -7.245 -0.265 -12.031 1.00 0.00 N ATOM 548 CA GLY A 41 -8.568 -0.662 -12.478 1.00 0.00 C ATOM 549 C GLY A 41 -9.470 -1.068 -11.330 1.00 0.00 C ATOM 550 O GLY A 41 -10.532 -1.655 -11.542 1.00 0.00 O ATOM 0 H GLY A 41 -7.235 0.462 -11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.027 0.163 -13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.478 -1.494 -13.177 1.00 0.00 H new ATOM 554 N LEU A 42 -9.048 -0.757 -10.109 1.00 0.00 N ATOM 555 CA LEU A 42 -9.825 -1.095 -8.922 1.00 0.00 C ATOM 556 C LEU A 42 -10.397 0.160 -8.270 1.00 0.00 C ATOM 557 O LEU A 42 -10.271 0.357 -7.062 1.00 0.00 O ATOM 558 CB LEU A 42 -8.956 -1.854 -7.917 1.00 0.00 C ATOM 559 CG LEU A 42 -7.905 -2.791 -8.513 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.792 -3.052 -7.510 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.545 -4.099 -8.954 1.00 0.00 C ATOM 0 H LEU A 42 -8.172 -0.271 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.654 -1.732 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.448 -1.127 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.610 -2.439 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.471 -2.308 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.053 -3.721 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.314 -2.109 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.210 -3.513 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.782 -4.753 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.006 -4.586 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.306 -3.896 -9.708 1.00 0.00 H new ATOM 573 N ARG A 43 -11.029 1.005 -9.079 1.00 0.00 N ATOM 574 CA ARG A 43 -11.621 2.240 -8.581 1.00 0.00 C ATOM 575 C ARG A 43 -12.927 1.958 -7.843 1.00 0.00 C ATOM 576 O ARG A 43 -13.503 2.849 -7.219 1.00 0.00 O ATOM 577 CB ARG A 43 -11.875 3.211 -9.736 1.00 0.00 C ATOM 578 CG ARG A 43 -13.047 2.813 -10.620 1.00 0.00 C ATOM 579 CD ARG A 43 -13.207 3.764 -11.795 1.00 0.00 C ATOM 580 NE ARG A 43 -14.160 3.262 -12.780 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.678 4.009 -13.749 1.00 0.00 C ATOM 582 NH1 ARG A 43 -14.335 5.284 -13.863 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.540 3.479 -14.608 1.00 0.00 N ATOM 0 H ARG A 43 -11.144 0.856 -10.082 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.919 2.694 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.059 4.206 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.975 3.278 -10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.897 1.799 -10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.963 2.805 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.540 4.736 -11.432 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.239 3.916 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.444 2.284 -12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.672 5.694 -13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.734 5.855 -14.608 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.805 2.498 -14.524 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.937 4.053 -15.352 1.00 0.00 H new ATOM 597 N SER A 44 -13.388 0.714 -7.921 1.00 0.00 N ATOM 598 CA SER A 44 -14.627 0.315 -7.264 1.00 0.00 C ATOM 599 C SER A 44 -14.353 -0.204 -5.856 1.00 0.00 C ATOM 600 O SER A 44 -15.076 0.116 -4.911 1.00 0.00 O ATOM 601 CB SER A 44 -15.342 -0.759 -8.086 1.00 0.00 C ATOM 602 OG SER A 44 -16.142 -0.176 -9.100 1.00 0.00 O ATOM 0 H SER A 44 -12.922 -0.035 -8.433 1.00 0.00 H new ATOM 0 HA SER A 44 -15.269 1.193 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.607 -1.426 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.966 -1.368 -7.431 1.00 0.00 H new ATOM 0 HG SER A 44 -16.587 -0.883 -9.612 1.00 0.00 H new ATOM 608 N LEU A 45 -13.305 -1.009 -5.723 1.00 0.00 N ATOM 609 CA LEU A 45 -12.933 -1.574 -4.430 1.00 0.00 C ATOM 610 C LEU A 45 -12.324 -0.509 -3.525 1.00 0.00 C ATOM 611 O LEU A 45 -11.973 -0.782 -2.377 1.00 0.00 O ATOM 612 CB LEU A 45 -11.943 -2.725 -4.620 1.00 0.00 C ATOM 613 CG LEU A 45 -12.504 -3.994 -5.263 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.411 -4.741 -6.012 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.139 -4.889 -4.210 1.00 0.00 C ATOM 0 H LEU A 45 -12.698 -1.285 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.837 -1.955 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.114 -2.368 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.530 -2.987 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.274 -3.706 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.829 -5.641 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.002 -4.100 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.618 -5.018 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.533 -5.787 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.389 -5.169 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.951 -4.353 -3.718 1.00 0.00 H new ATOM 627 N VAL A 46 -12.204 0.707 -4.048 1.00 0.00 N ATOM 628 CA VAL A 46 -11.642 1.815 -3.285 1.00 0.00 C ATOM 629 C VAL A 46 -12.424 2.051 -1.998 1.00 0.00 C ATOM 630 O VAL A 46 -11.841 2.214 -0.926 1.00 0.00 O ATOM 631 CB VAL A 46 -11.630 3.116 -4.111 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.335 4.312 -3.219 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.615 3.020 -5.240 1.00 0.00 C ATOM 0 H VAL A 46 -12.488 0.950 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.617 1.540 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.617 3.256 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.331 5.222 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.102 4.390 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.360 4.183 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.620 3.947 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.621 2.856 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.876 2.188 -5.894 1.00 0.00 H new ATOM 643 N ASP A 47 -13.748 2.066 -2.112 1.00 0.00 N ATOM 644 CA ASP A 47 -14.612 2.280 -0.957 1.00 0.00 C ATOM 645 C ASP A 47 -14.369 1.214 0.108 1.00 0.00 C ATOM 646 O ASP A 47 -14.186 1.527 1.285 1.00 0.00 O ATOM 647 CB ASP A 47 -16.081 2.268 -1.382 1.00 0.00 C ATOM 648 CG ASP A 47 -16.574 3.640 -1.797 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.312 4.041 -2.951 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.223 4.312 -0.969 1.00 0.00 O ATOM 0 H ASP A 47 -14.246 1.933 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.373 3.255 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.211 1.572 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.692 1.899 -0.558 1.00 0.00 H new ATOM 655 N THR A 48 -14.370 -0.047 -0.313 1.00 0.00 N ATOM 656 CA THR A 48 -14.153 -1.159 0.603 1.00 0.00 C ATOM 657 C THR A 48 -12.850 -0.988 1.376 1.00 0.00 C ATOM 658 O THR A 48 -12.846 -0.961 2.607 1.00 0.00 O ATOM 659 CB THR A 48 -14.119 -2.505 -0.144 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.348 -2.703 -0.852 1.00 0.00 O ATOM 661 CG2 THR A 48 -13.896 -3.657 0.824 1.00 0.00 C ATOM 0 H THR A 48 -14.519 -0.323 -1.284 1.00 0.00 H new ATOM 0 HA THR A 48 -14.990 -1.160 1.301 1.00 0.00 H new ATOM 0 HB THR A 48 -13.291 -2.481 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.318 -3.560 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.876 -4.597 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.946 -3.519 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.706 -3.681 1.553 1.00 0.00 H new ATOM 669 N TYR A 49 -11.746 -0.871 0.647 1.00 0.00 N ATOM 670 CA TYR A 49 -10.436 -0.704 1.264 1.00 0.00 C ATOM 671 C TYR A 49 -10.474 0.379 2.338 1.00 0.00 C ATOM 672 O TYR A 49 -10.021 0.170 3.463 1.00 0.00 O ATOM 673 CB TYR A 49 -9.390 -0.352 0.205 1.00 0.00 C ATOM 674 CG TYR A 49 -9.252 -1.396 -0.881 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.227 -2.750 -0.570 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.147 -1.028 -2.216 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.101 -3.707 -1.558 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.022 -1.978 -3.211 1.00 0.00 C ATOM 679 CZ TYR A 49 -8.999 -3.316 -2.877 1.00 0.00 C ATOM 680 OH TYR A 49 -8.873 -4.266 -3.865 1.00 0.00 O ATOM 0 H TYR A 49 -11.732 -0.889 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.162 -1.648 1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.654 0.602 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.424 -0.216 0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.307 -3.059 0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.163 0.019 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.082 -4.755 -1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.943 -1.675 -4.245 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.814 -3.824 -4.738 1.00 0.00 H new ATOM 690 N ARG A 50 -11.017 1.538 1.980 1.00 0.00 N ATOM 691 CA ARG A 50 -11.115 2.656 2.911 1.00 0.00 C ATOM 692 C ARG A 50 -11.761 2.217 4.222 1.00 0.00 C ATOM 693 O ARG A 50 -11.404 2.704 5.294 1.00 0.00 O ATOM 694 CB ARG A 50 -11.922 3.797 2.289 1.00 0.00 C ATOM 695 CG ARG A 50 -12.249 4.914 3.266 1.00 0.00 C ATOM 696 CD ARG A 50 -12.532 6.222 2.542 1.00 0.00 C ATOM 697 NE ARG A 50 -12.215 7.384 3.367 1.00 0.00 N ATOM 698 CZ ARG A 50 -10.979 7.826 3.570 1.00 0.00 C ATOM 699 NH1 ARG A 50 -9.950 7.207 3.010 1.00 0.00 N ATOM 700 NH2 ARG A 50 -10.772 8.891 4.335 1.00 0.00 N ATOM 0 H ARG A 50 -11.396 1.727 1.052 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.106 3.008 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.363 4.211 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.851 3.395 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.116 4.633 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.416 5.051 3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.949 6.261 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.583 6.257 2.255 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.985 7.884 3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.106 6.389 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.002 7.549 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.562 9.370 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.823 9.230 4.491 1.00 0.00 H new ATOM 714 N GLN A 51 -12.714 1.296 4.126 1.00 0.00 N ATOM 715 CA GLN A 51 -13.411 0.793 5.304 1.00 0.00 C ATOM 716 C GLN A 51 -12.522 -0.159 6.097 1.00 0.00 C ATOM 717 O GLN A 51 -12.402 -0.043 7.317 1.00 0.00 O ATOM 718 CB GLN A 51 -14.702 0.082 4.894 1.00 0.00 C ATOM 719 CG GLN A 51 -15.271 -0.819 5.978 1.00 0.00 C ATOM 720 CD GLN A 51 -16.768 -1.018 5.845 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.558 -0.301 6.460 1.00 0.00 O ATOM 722 NE2 GLN A 51 -17.166 -1.995 5.040 1.00 0.00 N ATOM 0 H GLN A 51 -13.021 0.883 3.245 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.659 1.643 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.449 0.829 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.511 -0.514 4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.774 -1.788 5.937 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.051 -0.389 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.476 -2.565 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.162 -2.176 4.911 1.00 0.00 H new ATOM 731 N THR A 52 -11.900 -1.102 5.397 1.00 0.00 N ATOM 732 CA THR A 52 -11.023 -2.075 6.036 1.00 0.00 C ATOM 733 C THR A 52 -9.937 -1.384 6.852 1.00 0.00 C ATOM 734 O THR A 52 -9.845 -0.156 6.870 1.00 0.00 O ATOM 735 CB THR A 52 -10.359 -3.000 4.998 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.499 -2.238 4.142 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.408 -3.716 4.162 1.00 0.00 C ATOM 0 H THR A 52 -11.987 -1.213 4.387 1.00 0.00 H new ATOM 0 HA THR A 52 -11.646 -2.674 6.700 1.00 0.00 H new ATOM 0 HB THR A 52 -9.771 -3.746 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.872 -1.340 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.915 -4.363 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.043 -4.318 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.019 -2.981 3.637 1.00 0.00 H new ATOM 745 N THR A 53 -9.114 -2.180 7.528 1.00 0.00 N ATOM 746 CA THR A 53 -8.034 -1.645 8.347 1.00 0.00 C ATOM 747 C THR A 53 -6.715 -1.638 7.582 1.00 0.00 C ATOM 748 O THR A 53 -5.853 -0.794 7.821 1.00 0.00 O ATOM 749 CB THR A 53 -7.858 -2.456 9.645 1.00 0.00 C ATOM 750 OG1 THR A 53 -7.949 -3.857 9.363 1.00 0.00 O ATOM 751 CG2 THR A 53 -8.913 -2.071 10.671 1.00 0.00 C ATOM 0 H THR A 53 -9.175 -3.198 7.524 1.00 0.00 H new ATOM 0 HA THR A 53 -8.308 -0.621 8.602 1.00 0.00 H new ATOM 0 HB THR A 53 -6.874 -2.231 10.057 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.834 -4.366 10.193 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.768 -2.657 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.823 -1.010 10.905 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.905 -2.270 10.265 1.00 0.00 H new ATOM 759 N SER A 54 -6.566 -2.585 6.662 1.00 0.00 N ATOM 760 CA SER A 54 -5.350 -2.690 5.864 1.00 0.00 C ATOM 761 C SER A 54 -5.665 -2.571 4.376 1.00 0.00 C ATOM 762 O SER A 54 -5.602 -3.542 3.621 1.00 0.00 O ATOM 763 CB SER A 54 -4.645 -4.019 6.142 1.00 0.00 C ATOM 764 OG SER A 54 -3.651 -4.283 5.167 1.00 0.00 O ATOM 0 H SER A 54 -7.272 -3.290 6.451 1.00 0.00 H new ATOM 0 HA SER A 54 -4.689 -1.870 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.190 -3.993 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.376 -4.828 6.149 1.00 0.00 H new ATOM 0 HG SER A 54 -4.079 -4.453 4.302 1.00 0.00 H new ATOM 770 N PRO A 55 -6.012 -1.350 3.942 1.00 0.00 N ATOM 771 CA PRO A 55 -6.344 -1.072 2.541 1.00 0.00 C ATOM 772 C PRO A 55 -5.125 -1.157 1.629 1.00 0.00 C ATOM 773 O PRO A 55 -5.225 -1.590 0.481 1.00 0.00 O ATOM 774 CB PRO A 55 -6.883 0.359 2.581 1.00 0.00 C ATOM 775 CG PRO A 55 -6.253 0.968 3.786 1.00 0.00 C ATOM 776 CD PRO A 55 -6.108 -0.146 4.785 1.00 0.00 C ATOM 0 HA PRO A 55 -7.051 -1.797 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.619 0.907 1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.970 0.370 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.283 1.402 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.871 1.772 4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.220 -0.017 5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.963 -0.195 5.459 1.00 0.00 H new ATOM 784 N SER A 56 -3.973 -0.741 2.147 1.00 0.00 N ATOM 785 CA SER A 56 -2.735 -0.767 1.378 1.00 0.00 C ATOM 786 C SER A 56 -2.294 -2.202 1.107 1.00 0.00 C ATOM 787 O SER A 56 -1.950 -2.555 -0.020 1.00 0.00 O ATOM 788 CB SER A 56 -1.631 -0.015 2.124 1.00 0.00 C ATOM 789 OG SER A 56 -2.171 1.027 2.919 1.00 0.00 O ATOM 0 H SER A 56 -3.872 -0.382 3.096 1.00 0.00 H new ATOM 0 HA SER A 56 -2.919 -0.275 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.077 -0.709 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.922 0.400 1.408 1.00 0.00 H new ATOM 0 HG SER A 56 -1.581 1.194 3.684 1.00 0.00 H new ATOM 795 N GLY A 57 -2.307 -3.026 2.150 1.00 0.00 N ATOM 796 CA GLY A 57 -1.907 -4.414 2.005 1.00 0.00 C ATOM 797 C GLY A 57 -2.901 -5.222 1.196 1.00 0.00 C ATOM 798 O GLY A 57 -2.515 -6.005 0.328 1.00 0.00 O ATOM 0 H GLY A 57 -2.587 -2.757 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.930 -4.459 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.797 -4.862 2.992 1.00 0.00 H new ATOM 802 N SER A 58 -4.186 -5.035 1.482 1.00 0.00 N ATOM 803 CA SER A 58 -5.238 -5.758 0.778 1.00 0.00 C ATOM 804 C SER A 58 -5.334 -5.301 -0.675 1.00 0.00 C ATOM 805 O SER A 58 -5.877 -6.007 -1.526 1.00 0.00 O ATOM 806 CB SER A 58 -6.583 -5.552 1.478 1.00 0.00 C ATOM 807 OG SER A 58 -7.573 -6.415 0.945 1.00 0.00 O ATOM 0 H SER A 58 -4.523 -4.389 2.196 1.00 0.00 H new ATOM 0 HA SER A 58 -4.987 -6.819 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.472 -5.737 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.900 -4.515 1.365 1.00 0.00 H new ATOM 0 HG SER A 58 -8.422 -6.265 1.410 1.00 0.00 H new ATOM 813 N LEU A 59 -4.802 -4.115 -0.951 1.00 0.00 N ATOM 814 CA LEU A 59 -4.826 -3.562 -2.301 1.00 0.00 C ATOM 815 C LEU A 59 -3.838 -4.291 -3.206 1.00 0.00 C ATOM 816 O LEU A 59 -4.053 -4.405 -4.413 1.00 0.00 O ATOM 817 CB LEU A 59 -4.498 -2.068 -2.267 1.00 0.00 C ATOM 818 CG LEU A 59 -4.240 -1.407 -3.621 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.553 -1.030 -4.290 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.353 -0.181 -3.456 1.00 0.00 C ATOM 0 H LEU A 59 -4.349 -3.518 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.829 -3.698 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.323 -1.546 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.617 -1.924 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.722 -2.123 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.349 -0.561 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.154 -1.926 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.098 -0.332 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.180 0.277 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.844 0.538 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.399 -0.478 -3.020 1.00 0.00 H new ATOM 832 N LEU A 60 -2.756 -4.785 -2.615 1.00 0.00 N ATOM 833 CA LEU A 60 -1.735 -5.506 -3.367 1.00 0.00 C ATOM 834 C LEU A 60 -2.173 -6.941 -3.642 1.00 0.00 C ATOM 835 O LEU A 60 -1.979 -7.460 -4.741 1.00 0.00 O ATOM 836 CB LEU A 60 -0.411 -5.502 -2.601 1.00 0.00 C ATOM 837 CG LEU A 60 0.172 -4.127 -2.276 1.00 0.00 C ATOM 838 CD1 LEU A 60 1.188 -4.231 -1.149 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.807 -3.511 -3.514 1.00 0.00 C ATOM 0 H LEU A 60 -2.563 -4.700 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.596 -4.999 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.553 -6.044 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.324 -6.058 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.639 -3.478 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.592 -3.242 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.703 -4.629 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.998 -4.896 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.217 -2.532 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.607 -4.159 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.053 -3.400 -4.293 1.00 0.00 H new ATOM 851 N ARG A 61 -2.766 -7.576 -2.636 1.00 0.00 N ATOM 852 CA ARG A 61 -3.232 -8.951 -2.769 1.00 0.00 C ATOM 853 C ARG A 61 -4.445 -9.026 -3.693 1.00 0.00 C ATOM 854 O ARG A 61 -4.770 -10.090 -4.220 1.00 0.00 O ATOM 855 CB ARG A 61 -3.586 -9.527 -1.397 1.00 0.00 C ATOM 856 CG ARG A 61 -5.031 -9.290 -0.991 1.00 0.00 C ATOM 857 CD ARG A 61 -5.324 -9.862 0.387 1.00 0.00 C ATOM 858 NE ARG A 61 -4.579 -9.170 1.436 1.00 0.00 N ATOM 859 CZ ARG A 61 -3.334 -9.480 1.781 1.00 0.00 C ATOM 860 NH1 ARG A 61 -2.698 -10.465 1.162 1.00 0.00 N ATOM 861 NH2 ARG A 61 -2.723 -8.804 2.745 1.00 0.00 N ATOM 0 H ARG A 61 -2.935 -7.160 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.426 -9.541 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.390 -10.599 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.930 -9.086 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.240 -8.220 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.696 -9.747 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.392 -9.787 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.070 -10.922 0.401 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.040 -8.407 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.165 -10.986 0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.742 -10.702 1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.209 -8.045 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.767 -9.043 3.009 1.00 0.00 H new ATOM 875 N SER A 62 -5.109 -7.891 -3.883 1.00 0.00 N ATOM 876 CA SER A 62 -6.288 -7.829 -4.739 1.00 0.00 C ATOM 877 C SER A 62 -5.901 -7.477 -6.172 1.00 0.00 C ATOM 878 O SER A 62 -6.421 -8.054 -7.127 1.00 0.00 O ATOM 879 CB SER A 62 -7.283 -6.800 -4.199 1.00 0.00 C ATOM 880 OG SER A 62 -7.833 -7.221 -2.963 1.00 0.00 O ATOM 0 H SER A 62 -4.851 -7.001 -3.456 1.00 0.00 H new ATOM 0 HA SER A 62 -6.758 -8.812 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.784 -5.840 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.083 -6.648 -4.924 1.00 0.00 H new ATOM 0 HG SER A 62 -7.284 -6.879 -2.227 1.00 0.00 H new ATOM 886 N TYR A 63 -4.985 -6.525 -6.313 1.00 0.00 N ATOM 887 CA TYR A 63 -4.529 -6.093 -7.629 1.00 0.00 C ATOM 888 C TYR A 63 -3.995 -7.273 -8.436 1.00 0.00 C ATOM 889 O TYR A 63 -4.062 -7.279 -9.664 1.00 0.00 O ATOM 890 CB TYR A 63 -3.444 -5.024 -7.490 1.00 0.00 C ATOM 891 CG TYR A 63 -2.623 -4.827 -8.744 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.207 -4.352 -9.913 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.265 -5.117 -8.762 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.462 -4.172 -11.062 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.511 -4.938 -9.906 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.114 -4.465 -11.053 1.00 0.00 C ATOM 897 OH TYR A 63 -0.367 -4.287 -12.195 1.00 0.00 O ATOM 0 H TYR A 63 -4.544 -6.038 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.382 -5.670 -8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.911 -4.077 -7.220 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.780 -5.297 -6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.262 -4.120 -9.923 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.790 -5.489 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.932 -3.804 -11.962 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.544 -5.167 -9.902 1.00 0.00 H new ATOM 0 HH TYR A 63 0.567 -4.523 -12.015 1.00 0.00 H new ATOM 907 N GLU A 64 -3.466 -8.270 -7.734 1.00 0.00 N ATOM 908 CA GLU A 64 -2.920 -9.456 -8.384 1.00 0.00 C ATOM 909 C GLU A 64 -4.030 -10.442 -8.737 1.00 0.00 C ATOM 910 O GLU A 64 -3.968 -11.124 -9.761 1.00 0.00 O ATOM 911 CB GLU A 64 -1.890 -10.133 -7.478 1.00 0.00 C ATOM 912 CG GLU A 64 -2.504 -10.848 -6.286 1.00 0.00 C ATOM 913 CD GLU A 64 -1.523 -11.774 -5.593 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.515 -11.273 -5.052 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.765 -12.999 -5.591 1.00 0.00 O ATOM 0 H GLU A 64 -3.404 -8.280 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.431 -9.141 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.317 -10.850 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.186 -9.382 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.867 -10.109 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.369 -11.423 -6.618 1.00 0.00 H new ATOM 922 N LEU A 65 -5.044 -10.513 -7.881 1.00 0.00 N ATOM 923 CA LEU A 65 -6.168 -11.416 -8.101 1.00 0.00 C ATOM 924 C LEU A 65 -6.945 -11.024 -9.354 1.00 0.00 C ATOM 925 O LEU A 65 -7.543 -11.872 -10.015 1.00 0.00 O ATOM 926 CB LEU A 65 -7.099 -11.408 -6.887 1.00 0.00 C ATOM 927 CG LEU A 65 -6.575 -12.113 -5.635 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.442 -11.778 -4.431 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.521 -13.618 -5.853 1.00 0.00 C ATOM 0 H LEU A 65 -5.111 -9.956 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.772 -12.422 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.320 -10.372 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.042 -11.874 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.563 -11.758 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.054 -12.289 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.429 -10.701 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.465 -12.104 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.146 -14.103 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.521 -13.990 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.857 -13.841 -6.688 1.00 0.00 H new ATOM 941 N ALA A 66 -6.929 -9.735 -9.674 1.00 0.00 N ATOM 942 CA ALA A 66 -7.628 -9.231 -10.850 1.00 0.00 C ATOM 943 C ALA A 66 -6.872 -9.577 -12.128 1.00 0.00 C ATOM 944 O ALA A 66 -7.474 -9.768 -13.184 1.00 0.00 O ATOM 945 CB ALA A 66 -7.826 -7.726 -10.742 1.00 0.00 C ATOM 0 H ALA A 66 -6.440 -9.020 -9.136 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.605 -9.712 -10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.349 -7.363 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.416 -7.499 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.855 -7.236 -10.668 1.00 0.00 H new ATOM 951 N GLY A 67 -5.549 -9.655 -12.025 1.00 0.00 N ATOM 952 CA GLY A 67 -4.733 -9.978 -13.181 1.00 0.00 C ATOM 953 C GLY A 67 -3.636 -8.959 -13.418 1.00 0.00 C ATOM 954 O GLY A 67 -3.234 -8.722 -14.557 1.00 0.00 O ATOM 0 H GLY A 67 -5.028 -9.500 -11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.287 -10.963 -13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.368 -10.037 -14.065 1.00 0.00 H new ATOM 958 N GLY A 68 -3.150 -8.351 -12.340 1.00 0.00 N ATOM 959 CA GLY A 68 -2.099 -7.358 -12.458 1.00 0.00 C ATOM 960 C GLY A 68 -0.724 -7.932 -12.178 1.00 0.00 C ATOM 961 O GLY A 68 -0.599 -9.077 -11.742 1.00 0.00 O ATOM 0 H GLY A 68 -3.466 -8.529 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.115 -6.935 -13.462 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.296 -6.541 -11.764 1.00 0.00 H new ATOM 965 N ASP A 69 0.309 -7.137 -12.430 1.00 0.00 N ATOM 966 CA ASP A 69 1.682 -7.573 -12.203 1.00 0.00 C ATOM 967 C ASP A 69 2.520 -6.444 -11.611 1.00 0.00 C ATOM 968 O ASP A 69 2.056 -5.309 -11.490 1.00 0.00 O ATOM 969 CB ASP A 69 2.309 -8.057 -13.512 1.00 0.00 C ATOM 970 CG ASP A 69 1.886 -7.218 -14.701 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.805 -7.491 -15.265 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.635 -6.290 -15.070 1.00 0.00 O ATOM 0 H ASP A 69 0.222 -6.187 -12.792 1.00 0.00 H new ATOM 0 HA ASP A 69 1.662 -8.398 -11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.395 -8.033 -13.422 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.026 -9.095 -13.685 1.00 0.00 H new ATOM 977 N LEU A 70 3.756 -6.762 -11.241 1.00 0.00 N ATOM 978 CA LEU A 70 4.659 -5.775 -10.660 1.00 0.00 C ATOM 979 C LEU A 70 4.785 -4.553 -11.564 1.00 0.00 C ATOM 980 O LEU A 70 4.499 -3.430 -11.150 1.00 0.00 O ATOM 981 CB LEU A 70 6.038 -6.393 -10.424 1.00 0.00 C ATOM 982 CG LEU A 70 6.909 -5.709 -9.369 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.290 -5.857 -7.988 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.319 -6.281 -9.388 1.00 0.00 C ATOM 0 H LEU A 70 4.156 -7.696 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 70 4.242 -5.456 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.902 -7.435 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.580 -6.393 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 70 6.967 -4.647 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.924 -5.364 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.301 -5.398 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.201 -6.915 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.924 -5.782 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.281 -7.350 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.763 -6.121 -10.371 1.00 0.00 H new ATOM 996 N ALA A 71 5.212 -4.781 -12.801 1.00 0.00 N ATOM 997 CA ALA A 71 5.372 -3.699 -13.766 1.00 0.00 C ATOM 998 C ALA A 71 4.200 -2.726 -13.697 1.00 0.00 C ATOM 999 O ALA A 71 4.370 -1.559 -13.345 1.00 0.00 O ATOM 1000 CB ALA A 71 5.511 -4.263 -15.172 1.00 0.00 C ATOM 0 H ALA A 71 5.454 -5.705 -13.159 1.00 0.00 H new ATOM 0 HA ALA A 71 6.280 -3.151 -13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.630 -3.445 -15.882 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.384 -4.913 -15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.618 -4.836 -15.424 1.00 0.00 H new ATOM 1006 N GLY A 72 3.011 -3.213 -14.036 1.00 0.00 N ATOM 1007 CA GLY A 72 1.828 -2.372 -14.007 1.00 0.00 C ATOM 1008 C GLY A 72 1.782 -1.479 -12.783 1.00 0.00 C ATOM 1009 O GLY A 72 1.404 -0.310 -12.871 1.00 0.00 O ATOM 0 H GLY A 72 2.845 -4.175 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.803 -1.754 -14.905 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.938 -3.001 -14.028 1.00 0.00 H new ATOM 1013 N LEU A 73 2.166 -2.030 -11.636 1.00 0.00 N ATOM 1014 CA LEU A 73 2.165 -1.276 -10.387 1.00 0.00 C ATOM 1015 C LEU A 73 3.276 -0.231 -10.382 1.00 0.00 C ATOM 1016 O LEU A 73 3.056 0.922 -10.008 1.00 0.00 O ATOM 1017 CB LEU A 73 2.334 -2.222 -9.197 1.00 0.00 C ATOM 1018 CG LEU A 73 1.853 -1.694 -7.846 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.351 -1.456 -7.870 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.223 -2.662 -6.732 1.00 0.00 C ATOM 0 H LEU A 73 2.482 -2.996 -11.545 1.00 0.00 H new ATOM 0 HA LEU A 73 1.207 -0.763 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.799 -3.146 -9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.390 -2.478 -9.109 1.00 0.00 H new ATOM 0 HG LEU A 73 2.348 -0.742 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.027 -1.080 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.111 -0.724 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.162 -2.393 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.872 -2.269 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.756 -3.629 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.306 -2.782 -6.699 1.00 0.00 H new ATOM 1032 N LEU A 74 4.468 -0.640 -10.800 1.00 0.00 N ATOM 1033 CA LEU A 74 5.614 0.262 -10.846 1.00 0.00 C ATOM 1034 C LEU A 74 5.335 1.450 -11.762 1.00 0.00 C ATOM 1035 O LEU A 74 5.825 2.555 -11.527 1.00 0.00 O ATOM 1036 CB LEU A 74 6.858 -0.486 -11.327 1.00 0.00 C ATOM 1037 CG LEU A 74 7.302 -1.671 -10.469 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.296 -2.537 -11.228 1.00 0.00 C ATOM 1039 CD2 LEU A 74 7.907 -1.185 -9.160 1.00 0.00 C ATOM 0 H LEU A 74 4.667 -1.590 -11.112 1.00 0.00 H new ATOM 0 HA LEU A 74 5.791 0.637 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.673 -0.845 -12.339 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.684 0.223 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 74 6.425 -2.276 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.601 -3.375 -10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.829 -2.915 -12.138 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.171 -1.942 -11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.217 -2.042 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.773 -0.557 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.165 -0.608 -8.608 1.00 0.00 H new ATOM 1051 N GLU A 75 4.545 1.215 -12.804 1.00 0.00 N ATOM 1052 CA GLU A 75 4.200 2.267 -13.754 1.00 0.00 C ATOM 1053 C GLU A 75 3.201 3.245 -13.143 1.00 0.00 C ATOM 1054 O GLU A 75 3.294 4.454 -13.350 1.00 0.00 O ATOM 1055 CB GLU A 75 3.620 1.660 -15.033 1.00 0.00 C ATOM 1056 CG GLU A 75 2.717 2.609 -15.802 1.00 0.00 C ATOM 1057 CD GLU A 75 3.475 3.775 -16.406 1.00 0.00 C ATOM 1058 OE1 GLU A 75 4.620 3.568 -16.858 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.921 4.895 -16.426 1.00 0.00 O ATOM 0 H GLU A 75 4.132 0.306 -13.012 1.00 0.00 H new ATOM 0 HA GLU A 75 5.111 2.812 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.439 1.347 -15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.056 0.763 -14.776 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.211 2.060 -16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.944 2.990 -15.135 1.00 0.00 H new ATOM 1066 N ALA A 76 2.244 2.712 -12.391 1.00 0.00 N ATOM 1067 CA ALA A 76 1.228 3.536 -11.749 1.00 0.00 C ATOM 1068 C ALA A 76 1.837 4.405 -10.653 1.00 0.00 C ATOM 1069 O ALA A 76 1.566 5.604 -10.575 1.00 0.00 O ATOM 1070 CB ALA A 76 0.121 2.661 -11.178 1.00 0.00 C ATOM 0 H ALA A 76 2.151 1.712 -12.211 1.00 0.00 H new ATOM 0 HA ALA A 76 0.801 4.196 -12.504 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.631 3.290 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.342 2.089 -11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.542 1.977 -10.441 1.00 0.00 H new ATOM 1076 N LEU A 77 2.659 3.793 -9.809 1.00 0.00 N ATOM 1077 CA LEU A 77 3.307 4.510 -8.716 1.00 0.00 C ATOM 1078 C LEU A 77 4.137 5.675 -9.246 1.00 0.00 C ATOM 1079 O LEU A 77 4.082 6.783 -8.713 1.00 0.00 O ATOM 1080 CB LEU A 77 4.196 3.560 -7.912 1.00 0.00 C ATOM 1081 CG LEU A 77 3.496 2.350 -7.291 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.517 1.322 -6.830 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.611 2.783 -6.132 1.00 0.00 C ATOM 0 H LEU A 77 2.893 2.802 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 77 2.529 4.908 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.991 3.199 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.672 4.129 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 77 2.865 1.889 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.001 0.468 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.109 0.989 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.174 1.771 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.121 1.909 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.221 3.268 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.856 3.482 -6.492 1.00 0.00 H new ATOM 1095 N SER A 78 4.904 5.417 -10.301 1.00 0.00 N ATOM 1096 CA SER A 78 5.747 6.443 -10.902 1.00 0.00 C ATOM 1097 C SER A 78 4.912 7.640 -11.348 1.00 0.00 C ATOM 1098 O SER A 78 5.142 8.768 -10.912 1.00 0.00 O ATOM 1099 CB SER A 78 6.513 5.869 -12.096 1.00 0.00 C ATOM 1100 OG SER A 78 7.239 6.882 -12.771 1.00 0.00 O ATOM 0 H SER A 78 4.959 4.506 -10.757 1.00 0.00 H new ATOM 0 HA SER A 78 6.460 6.779 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.198 5.093 -11.754 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.815 5.396 -12.787 1.00 0.00 H new ATOM 0 HG SER A 78 7.721 6.489 -13.529 1.00 0.00 H new ATOM 1106 N ASP A 79 3.942 7.385 -12.219 1.00 0.00 N ATOM 1107 CA ASP A 79 3.071 8.439 -12.724 1.00 0.00 C ATOM 1108 C ASP A 79 2.496 9.265 -11.577 1.00 0.00 C ATOM 1109 O ASP A 79 2.328 10.478 -11.696 1.00 0.00 O ATOM 1110 CB ASP A 79 1.936 7.839 -13.555 1.00 0.00 C ATOM 1111 CG ASP A 79 1.455 8.779 -14.643 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.824 9.802 -14.306 1.00 0.00 O ATOM 1113 OD2 ASP A 79 1.710 8.490 -15.831 1.00 0.00 O ATOM 0 H ASP A 79 3.739 6.457 -12.590 1.00 0.00 H new ATOM 0 HA ASP A 79 3.667 9.095 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.275 6.907 -14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.102 7.590 -12.899 1.00 0.00 H new ATOM 1118 N MET A 80 2.197 8.598 -10.467 1.00 0.00 N ATOM 1119 CA MET A 80 1.641 9.271 -9.298 1.00 0.00 C ATOM 1120 C MET A 80 2.715 10.075 -8.572 1.00 0.00 C ATOM 1121 O MET A 80 2.413 11.037 -7.867 1.00 0.00 O ATOM 1122 CB MET A 80 1.019 8.250 -8.344 1.00 0.00 C ATOM 1123 CG MET A 80 -0.264 7.628 -8.871 1.00 0.00 C ATOM 1124 SD MET A 80 -1.113 6.631 -7.632 1.00 0.00 S ATOM 1125 CE MET A 80 -1.023 7.712 -6.207 1.00 0.00 C ATOM 0 H MET A 80 2.330 7.593 -10.352 1.00 0.00 H new ATOM 0 HA MET A 80 0.866 9.958 -9.639 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.743 7.459 -8.149 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.813 8.735 -7.390 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.931 8.418 -9.215 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.033 7.006 -9.736 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.771 7.411 -5.474 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.031 7.645 -5.761 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.212 8.740 -6.517 1.00 0.00 H new ATOM 1135 N GLY A 81 3.970 9.674 -8.750 1.00 0.00 N ATOM 1136 CA GLY A 81 5.069 10.369 -8.104 1.00 0.00 C ATOM 1137 C GLY A 81 5.776 9.507 -7.077 1.00 0.00 C ATOM 1138 O GLY A 81 6.949 9.727 -6.772 1.00 0.00 O ATOM 0 H GLY A 81 4.245 8.881 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.786 10.690 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.691 11.269 -7.620 1.00 0.00 H new ATOM 1142 N LEU A 82 5.062 8.523 -6.541 1.00 0.00 N ATOM 1143 CA LEU A 82 5.628 7.625 -5.540 1.00 0.00 C ATOM 1144 C LEU A 82 6.854 6.902 -6.088 1.00 0.00 C ATOM 1145 O LEU A 82 6.737 5.849 -6.713 1.00 0.00 O ATOM 1146 CB LEU A 82 4.580 6.606 -5.090 1.00 0.00 C ATOM 1147 CG LEU A 82 3.221 7.176 -4.681 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.126 6.139 -4.876 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.255 7.654 -3.237 1.00 0.00 C ATOM 0 H LEU A 82 4.091 8.327 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 82 5.935 8.224 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.424 5.894 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.985 6.046 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 82 3.001 8.031 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.167 6.563 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.085 5.846 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.341 5.264 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.279 8.056 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.499 6.817 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.011 8.431 -3.129 1.00 0.00 H new ATOM 1161 N GLU A 83 8.029 7.475 -5.847 1.00 0.00 N ATOM 1162 CA GLU A 83 9.277 6.883 -6.315 1.00 0.00 C ATOM 1163 C GLU A 83 9.744 5.779 -5.371 1.00 0.00 C ATOM 1164 O GLU A 83 10.088 4.681 -5.807 1.00 0.00 O ATOM 1165 CB GLU A 83 10.361 7.956 -6.439 1.00 0.00 C ATOM 1166 CG GLU A 83 10.749 8.585 -5.111 1.00 0.00 C ATOM 1167 CD GLU A 83 11.606 9.824 -5.281 1.00 0.00 C ATOM 1168 OE1 GLU A 83 11.037 10.919 -5.471 1.00 0.00 O ATOM 1169 OE2 GLU A 83 12.848 9.699 -5.223 1.00 0.00 O ATOM 0 H GLU A 83 8.143 8.347 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 83 9.096 6.445 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.247 7.514 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.011 8.738 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.846 8.845 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.290 7.853 -4.511 1.00 0.00 H new ATOM 1176 N GLU A 84 9.754 6.080 -4.077 1.00 0.00 N ATOM 1177 CA GLU A 84 10.180 5.113 -3.071 1.00 0.00 C ATOM 1178 C GLU A 84 9.594 3.734 -3.360 1.00 0.00 C ATOM 1179 O GLU A 84 10.316 2.802 -3.711 1.00 0.00 O ATOM 1180 CB GLU A 84 9.758 5.576 -1.675 1.00 0.00 C ATOM 1181 CG GLU A 84 10.679 5.091 -0.569 1.00 0.00 C ATOM 1182 CD GLU A 84 12.067 5.696 -0.658 1.00 0.00 C ATOM 1183 OE1 GLU A 84 12.909 5.144 -1.396 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.310 6.722 0.011 1.00 0.00 O ATOM 0 H GLU A 84 9.472 6.985 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 84 11.267 5.043 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.725 6.665 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.746 5.223 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.241 5.338 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.757 4.005 -0.616 1.00 0.00 H new ATOM 1191 N GLY A 85 8.279 3.612 -3.209 1.00 0.00 N ATOM 1192 CA GLY A 85 7.618 2.344 -3.456 1.00 0.00 C ATOM 1193 C GLY A 85 8.155 1.641 -4.687 1.00 0.00 C ATOM 1194 O GLY A 85 8.470 0.452 -4.643 1.00 0.00 O ATOM 0 H GLY A 85 7.659 4.369 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.744 1.697 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.548 2.513 -3.575 1.00 0.00 H new ATOM 1198 N VAL A 86 8.258 2.376 -5.789 1.00 0.00 N ATOM 1199 CA VAL A 86 8.761 1.816 -7.038 1.00 0.00 C ATOM 1200 C VAL A 86 10.079 1.082 -6.820 1.00 0.00 C ATOM 1201 O VAL A 86 10.239 -0.066 -7.237 1.00 0.00 O ATOM 1202 CB VAL A 86 8.965 2.910 -8.102 1.00 0.00 C ATOM 1203 CG1 VAL A 86 9.558 2.317 -9.371 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.651 3.617 -8.398 1.00 0.00 C ATOM 0 H VAL A 86 8.000 3.361 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 86 8.010 1.110 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 86 9.667 3.646 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.695 3.105 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.522 1.861 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.883 1.559 -9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.814 4.387 -9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.924 2.894 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.272 4.077 -7.486 1.00 0.00 H new ATOM 1214 N ARG A 87 11.021 1.751 -6.163 1.00 0.00 N ATOM 1215 CA ARG A 87 12.326 1.162 -5.890 1.00 0.00 C ATOM 1216 C ARG A 87 12.195 -0.051 -4.974 1.00 0.00 C ATOM 1217 O ARG A 87 12.672 -1.140 -5.297 1.00 0.00 O ATOM 1218 CB ARG A 87 13.253 2.198 -5.251 1.00 0.00 C ATOM 1219 CG ARG A 87 13.423 3.459 -6.084 1.00 0.00 C ATOM 1220 CD ARG A 87 13.788 4.654 -5.217 1.00 0.00 C ATOM 1221 NE ARG A 87 15.232 4.774 -5.031 1.00 0.00 N ATOM 1222 CZ ARG A 87 16.063 5.189 -5.981 1.00 0.00 C ATOM 1223 NH1 ARG A 87 15.596 5.523 -7.176 1.00 0.00 N ATOM 1224 NH2 ARG A 87 17.364 5.272 -5.735 1.00 0.00 N ATOM 0 H ARG A 87 10.905 2.701 -5.810 1.00 0.00 H new ATOM 0 HA ARG A 87 12.754 0.836 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.860 2.470 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.231 1.746 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.200 3.300 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.499 3.668 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.405 5.565 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.304 4.558 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 87 15.624 4.526 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.596 5.462 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.237 5.841 -7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.727 5.017 -4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.002 5.591 -6.465 1.00 0.00 H new ATOM 1238 N LEU A 88 11.546 0.144 -3.832 1.00 0.00 N ATOM 1239 CA LEU A 88 11.351 -0.934 -2.869 1.00 0.00 C ATOM 1240 C LEU A 88 10.884 -2.208 -3.564 1.00 0.00 C ATOM 1241 O LEU A 88 11.534 -3.250 -3.478 1.00 0.00 O ATOM 1242 CB LEU A 88 10.334 -0.517 -1.805 1.00 0.00 C ATOM 1243 CG LEU A 88 10.508 -1.151 -0.425 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.593 -0.482 0.589 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.235 -2.647 -0.486 1.00 0.00 C ATOM 0 H LEU A 88 11.146 1.039 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 88 12.308 -1.135 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.379 0.566 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.336 -0.759 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 88 11.540 -1.003 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.731 -0.946 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.836 0.579 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.556 -0.598 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.364 -3.081 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.214 -2.817 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.932 -3.116 -1.181 1.00 0.00 H new ATOM 1257 N LEU A 89 9.753 -2.117 -4.256 1.00 0.00 N ATOM 1258 CA LEU A 89 9.198 -3.263 -4.969 1.00 0.00 C ATOM 1259 C LEU A 89 10.277 -3.974 -5.780 1.00 0.00 C ATOM 1260 O LEU A 89 10.425 -5.194 -5.700 1.00 0.00 O ATOM 1261 CB LEU A 89 8.064 -2.813 -5.892 1.00 0.00 C ATOM 1262 CG LEU A 89 6.767 -2.387 -5.203 1.00 0.00 C ATOM 1263 CD1 LEU A 89 5.940 -1.504 -6.123 1.00 0.00 C ATOM 1264 CD2 LEU A 89 5.967 -3.607 -4.771 1.00 0.00 C ATOM 0 H LEU A 89 9.203 -1.262 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 89 8.803 -3.962 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.423 -1.979 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.836 -3.628 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 89 7.023 -1.811 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.021 -1.210 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.512 -0.613 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.694 -2.054 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.047 -3.285 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.721 -4.209 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.558 -4.202 -4.075 1.00 0.00 H new ATOM 1276 N ARG A 90 11.030 -3.203 -6.557 1.00 0.00 N ATOM 1277 CA ARG A 90 12.097 -3.759 -7.382 1.00 0.00 C ATOM 1278 C ARG A 90 13.132 -4.477 -6.520 1.00 0.00 C ATOM 1279 O ARG A 90 13.582 -5.571 -6.856 1.00 0.00 O ATOM 1280 CB ARG A 90 12.773 -2.653 -8.193 1.00 0.00 C ATOM 1281 CG ARG A 90 11.965 -2.203 -9.400 1.00 0.00 C ATOM 1282 CD ARG A 90 12.709 -1.150 -10.207 1.00 0.00 C ATOM 1283 NE ARG A 90 13.856 -1.712 -10.915 1.00 0.00 N ATOM 1284 CZ ARG A 90 13.756 -2.388 -12.054 1.00 0.00 C ATOM 1285 NH1 ARG A 90 12.570 -2.584 -12.612 1.00 0.00 N ATOM 1286 NH2 ARG A 90 14.846 -2.869 -12.639 1.00 0.00 N ATOM 0 H ARG A 90 10.922 -2.192 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 90 11.653 -4.482 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.950 -1.795 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.748 -3.005 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.747 -3.062 -10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.008 -1.800 -9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.027 -0.695 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.047 -0.356 -9.542 1.00 0.00 H new ATOM 0 HE ARG A 90 14.784 -1.578 -10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.730 -2.215 -12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.498 -3.104 -13.487 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.761 -2.720 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.769 -3.388 -13.514 1.00 0.00 H new