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= -0.33 USER MOD Set 1.2: A 62 SER OG : rot 76:sc= 0.636 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 56 SER OG : rot -170:sc= -0.928 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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.192 K(o=-0.19,f=-2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 30 GLN : amide:sc= -1.33 X(o=-1.3,f=-0.84) USER MOD Single : A 32 SER OG : rot 180:sc= 0 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 K(o=0,f=-0.89) USER MOD Single : A 52 THR OG1 : rot -46:sc= 1.27 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -79:sc= 0.111 USER MOD Single : A 63 TYR OH : rot -150:sc= 1.37 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 139:sc= -3.94 (180deg=-8.23!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 2.022 -12.652 -5.033 1.00 0.00 N ATOM 88 CA LEU A 10 2.961 -11.705 -5.624 1.00 0.00 C ATOM 89 C LEU A 10 4.398 -12.060 -5.254 1.00 0.00 C ATOM 90 O LEU A 10 4.720 -12.243 -4.080 1.00 0.00 O ATOM 91 CB LEU A 10 2.640 -10.282 -5.162 1.00 0.00 C ATOM 92 CG LEU A 10 1.481 -9.589 -5.879 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.141 -8.274 -5.195 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.822 -9.358 -7.344 1.00 0.00 C ATOM 0 HA LEU A 10 2.860 -11.760 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.417 -10.309 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.534 -9.671 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 10 0.607 -10.238 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.314 -7.795 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.854 -8.465 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.011 -7.618 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.986 -8.864 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.709 -8.729 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.015 -10.315 -7.828 1.00 0.00 H new ATOM 106 N SER A 11 5.257 -12.154 -6.263 1.00 0.00 N ATOM 107 CA SER A 11 6.659 -12.489 -6.045 1.00 0.00 C ATOM 108 C SER A 11 7.201 -11.778 -4.808 1.00 0.00 C ATOM 109 O SER A 11 8.151 -12.242 -4.176 1.00 0.00 O ATOM 110 CB SER A 11 7.493 -12.111 -7.271 1.00 0.00 C ATOM 111 OG SER A 11 8.879 -12.143 -6.975 1.00 0.00 O ATOM 0 H SER A 11 5.007 -12.003 -7.240 1.00 0.00 H new ATOM 0 HA SER A 11 6.729 -13.565 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.277 -12.799 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.214 -11.114 -7.611 1.00 0.00 H new ATOM 0 HG SER A 11 9.390 -11.899 -7.775 1.00 0.00 H new ATOM 117 N LEU A 12 6.591 -10.648 -4.469 1.00 0.00 N ATOM 118 CA LEU A 12 7.011 -9.870 -3.308 1.00 0.00 C ATOM 119 C LEU A 12 6.999 -10.727 -2.046 1.00 0.00 C ATOM 120 O LEU A 12 6.229 -11.680 -1.938 1.00 0.00 O ATOM 121 CB LEU A 12 6.097 -8.658 -3.124 1.00 0.00 C ATOM 122 CG LEU A 12 5.948 -7.739 -4.337 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.766 -6.800 -4.153 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.228 -6.949 -4.568 1.00 0.00 C ATOM 0 H LEU A 12 5.804 -10.250 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 12 8.030 -9.525 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.107 -9.015 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.475 -8.067 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 12 5.762 -8.356 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.676 -6.154 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.853 -7.383 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.922 -6.189 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.104 -6.300 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.445 -6.342 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.054 -7.638 -4.746 1.00 0.00 H new ATOM 136 N GLY A 13 7.857 -10.378 -1.092 1.00 0.00 N ATOM 137 CA GLY A 13 7.928 -11.124 0.151 1.00 0.00 C ATOM 138 C GLY A 13 7.008 -10.562 1.217 1.00 0.00 C ATOM 139 O GLY A 13 6.117 -9.766 0.921 1.00 0.00 O ATOM 0 H GLY A 13 8.504 -9.592 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.667 -12.165 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.954 -11.115 0.519 1.00 0.00 H new ATOM 143 N ASP A 14 7.223 -10.978 2.460 1.00 0.00 N ATOM 144 CA ASP A 14 6.405 -10.512 3.574 1.00 0.00 C ATOM 145 C ASP A 14 6.750 -9.070 3.935 1.00 0.00 C ATOM 146 O ASP A 14 5.871 -8.273 4.265 1.00 0.00 O ATOM 147 CB ASP A 14 6.601 -11.417 4.792 1.00 0.00 C ATOM 148 CG ASP A 14 8.059 -11.553 5.183 1.00 0.00 C ATOM 149 OD1 ASP A 14 8.891 -11.814 4.289 1.00 0.00 O ATOM 150 OD2 ASP A 14 8.368 -11.400 6.384 1.00 0.00 O ATOM 0 H ASP A 14 7.956 -11.637 2.722 1.00 0.00 H new ATOM 0 HA ASP A 14 5.360 -10.551 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.038 -11.015 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.192 -12.404 4.577 1.00 0.00 H new ATOM 155 N THR A 15 8.037 -8.741 3.872 1.00 0.00 N ATOM 156 CA THR A 15 8.499 -7.397 4.195 1.00 0.00 C ATOM 157 C THR A 15 8.149 -6.414 3.083 1.00 0.00 C ATOM 158 O THR A 15 7.365 -5.488 3.284 1.00 0.00 O ATOM 159 CB THR A 15 10.020 -7.368 4.431 1.00 0.00 C ATOM 160 OG1 THR A 15 10.397 -8.415 5.332 1.00 0.00 O ATOM 161 CG2 THR A 15 10.454 -6.024 4.998 1.00 0.00 C ATOM 0 H THR A 15 8.778 -9.387 3.600 1.00 0.00 H new ATOM 0 HA THR A 15 7.991 -7.099 5.112 1.00 0.00 H new ATOM 0 HB THR A 15 10.517 -7.518 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.366 -8.390 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.532 -6.027 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.193 -5.232 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.948 -5.849 5.948 1.00 0.00 H new ATOM 169 N ALA A 16 8.737 -6.623 1.909 1.00 0.00 N ATOM 170 CA ALA A 16 8.485 -5.756 0.764 1.00 0.00 C ATOM 171 C ALA A 16 7.026 -5.313 0.721 1.00 0.00 C ATOM 172 O ALA A 16 6.731 -4.128 0.558 1.00 0.00 O ATOM 173 CB ALA A 16 8.861 -6.466 -0.528 1.00 0.00 C ATOM 0 H ALA A 16 9.391 -7.384 1.726 1.00 0.00 H new ATOM 0 HA ALA A 16 9.105 -4.866 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.668 -5.807 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.919 -6.727 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.266 -7.373 -0.631 1.00 0.00 H new ATOM 179 N LEU A 17 6.117 -6.271 0.868 1.00 0.00 N ATOM 180 CA LEU A 17 4.688 -5.979 0.846 1.00 0.00 C ATOM 181 C LEU A 17 4.311 -5.018 1.969 1.00 0.00 C ATOM 182 O LEU A 17 3.908 -3.883 1.718 1.00 0.00 O ATOM 183 CB LEU A 17 3.882 -7.272 0.973 1.00 0.00 C ATOM 184 CG LEU A 17 2.514 -7.281 0.289 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.674 -7.222 -1.223 1.00 0.00 C ATOM 186 CD2 LEU A 17 1.722 -8.514 0.695 1.00 0.00 C ATOM 0 H LEU A 17 6.344 -7.256 1.004 1.00 0.00 H new ATOM 0 HA LEU A 17 4.454 -5.504 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.476 -8.089 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.737 -7.484 2.032 1.00 0.00 H new ATOM 0 HG LEU A 17 1.962 -6.398 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.691 -7.229 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.201 -6.308 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.245 -8.086 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.752 -8.503 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.269 -9.410 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.577 -8.514 1.775 1.00 0.00 H new ATOM 198 N GLN A 18 4.447 -5.481 3.207 1.00 0.00 N ATOM 199 CA GLN A 18 4.122 -4.662 4.369 1.00 0.00 C ATOM 200 C GLN A 18 4.613 -3.230 4.180 1.00 0.00 C ATOM 201 O GLN A 18 3.891 -2.274 4.460 1.00 0.00 O ATOM 202 CB GLN A 18 4.739 -5.263 5.633 1.00 0.00 C ATOM 203 CG GLN A 18 3.907 -6.378 6.245 1.00 0.00 C ATOM 204 CD GLN A 18 4.400 -6.788 7.618 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.761 -6.503 8.631 1.00 0.00 O ATOM 206 NE2 GLN A 18 5.544 -7.462 7.660 1.00 0.00 N ATOM 0 H GLN A 18 4.780 -6.419 3.432 1.00 0.00 H new ATOM 0 HA GLN A 18 3.038 -4.644 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.730 -5.649 5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.873 -4.474 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.869 -6.053 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.924 -7.244 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.041 -7.677 6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.925 -7.764 8.556 1.00 0.00 H new ATOM 215 N ASN A 19 5.846 -3.091 3.703 1.00 0.00 N ATOM 216 CA ASN A 19 6.434 -1.776 3.478 1.00 0.00 C ATOM 217 C ASN A 19 5.578 -0.954 2.519 1.00 0.00 C ATOM 218 O ASN A 19 5.087 0.119 2.872 1.00 0.00 O ATOM 219 CB ASN A 19 7.852 -1.917 2.920 1.00 0.00 C ATOM 220 CG ASN A 19 8.881 -2.151 4.009 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.646 -1.842 5.178 1.00 0.00 O ATOM 222 ND2 ASN A 19 10.029 -2.699 3.630 1.00 0.00 N ATOM 0 H ASN A 19 6.457 -3.873 3.465 1.00 0.00 H new ATOM 0 HA ASN A 19 6.477 -1.256 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.880 -2.746 2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.113 -1.016 2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.760 -2.880 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.181 -2.939 2.650 1.00 0.00 H new ATOM 229 N LEU A 20 5.402 -1.465 1.306 1.00 0.00 N ATOM 230 CA LEU A 20 4.605 -0.779 0.295 1.00 0.00 C ATOM 231 C LEU A 20 3.250 -0.364 0.860 1.00 0.00 C ATOM 232 O LEU A 20 2.743 0.714 0.552 1.00 0.00 O ATOM 233 CB LEU A 20 4.407 -1.680 -0.925 1.00 0.00 C ATOM 234 CG LEU A 20 4.241 -0.966 -2.267 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.904 -0.245 -2.326 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.386 0.010 -2.497 1.00 0.00 C ATOM 0 H LEU A 20 5.800 -2.352 0.998 1.00 0.00 H new ATOM 0 HA LEU A 20 5.143 0.119 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.262 -2.353 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.527 -2.300 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 20 4.263 -1.714 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.804 0.257 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.096 -0.967 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.853 0.492 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.251 0.509 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.396 0.753 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.331 -0.532 -2.500 1.00 0.00 H new ATOM 248 N GLU A 21 2.671 -1.227 1.689 1.00 0.00 N ATOM 249 CA GLU A 21 1.375 -0.949 2.297 1.00 0.00 C ATOM 250 C GLU A 21 1.415 0.354 3.091 1.00 0.00 C ATOM 251 O GLU A 21 0.644 1.276 2.827 1.00 0.00 O ATOM 252 CB GLU A 21 0.958 -2.103 3.211 1.00 0.00 C ATOM 253 CG GLU A 21 0.733 -3.413 2.474 1.00 0.00 C ATOM 254 CD GLU A 21 0.782 -4.616 3.395 1.00 0.00 C ATOM 255 OE1 GLU A 21 0.470 -4.460 4.594 1.00 0.00 O ATOM 256 OE2 GLU A 21 1.134 -5.715 2.916 1.00 0.00 O ATOM 0 H GLU A 21 3.078 -2.124 1.955 1.00 0.00 H new ATOM 0 HA GLU A 21 0.642 -0.845 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.727 -2.250 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.042 -1.828 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.235 -3.382 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.490 -3.523 1.698 1.00 0.00 H new ATOM 263 N GLN A 22 2.319 0.420 4.063 1.00 0.00 N ATOM 264 CA GLN A 22 2.459 1.609 4.895 1.00 0.00 C ATOM 265 C GLN A 22 2.856 2.818 4.055 1.00 0.00 C ATOM 266 O GLN A 22 2.279 3.898 4.192 1.00 0.00 O ATOM 267 CB GLN A 22 3.499 1.371 5.991 1.00 0.00 C ATOM 268 CG GLN A 22 3.117 0.267 6.964 1.00 0.00 C ATOM 269 CD GLN A 22 2.102 0.723 7.994 1.00 0.00 C ATOM 270 OE1 GLN A 22 2.371 1.621 8.792 1.00 0.00 O ATOM 271 NE2 GLN A 22 0.927 0.105 7.981 1.00 0.00 N ATOM 0 H GLN A 22 2.965 -0.335 4.294 1.00 0.00 H new ATOM 0 HA GLN A 22 1.494 1.813 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.453 1.120 5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.648 2.297 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.710 -0.578 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.012 -0.088 7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.747 -0.634 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.204 0.369 8.650 1.00 0.00 H new ATOM 280 N LEU A 23 3.843 2.631 3.187 1.00 0.00 N ATOM 281 CA LEU A 23 4.318 3.707 2.324 1.00 0.00 C ATOM 282 C LEU A 23 3.149 4.434 1.667 1.00 0.00 C ATOM 283 O LEU A 23 3.221 5.635 1.403 1.00 0.00 O ATOM 284 CB LEU A 23 5.255 3.150 1.250 1.00 0.00 C ATOM 285 CG LEU A 23 6.734 3.069 1.628 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.433 1.987 0.819 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.413 4.415 1.419 1.00 0.00 C ATOM 0 H LEU A 23 4.331 1.744 3.062 1.00 0.00 H new ATOM 0 HA LEU A 23 4.865 4.420 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.914 2.150 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.162 3.769 0.358 1.00 0.00 H new ATOM 0 HG LEU A 23 6.805 2.809 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.485 1.944 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.964 1.023 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.352 2.217 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.465 4.338 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.331 4.705 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.930 5.167 2.042 1.00 0.00 H new ATOM 299 N LEU A 24 2.072 3.700 1.409 1.00 0.00 N ATOM 300 CA LEU A 24 0.886 4.276 0.785 1.00 0.00 C ATOM 301 C LEU A 24 -0.011 4.937 1.827 1.00 0.00 C ATOM 302 O LEU A 24 -0.676 5.934 1.545 1.00 0.00 O ATOM 303 CB LEU A 24 0.104 3.195 0.035 1.00 0.00 C ATOM 304 CG LEU A 24 0.561 2.907 -1.395 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.010 1.573 -1.873 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.130 4.030 -2.328 1.00 0.00 C ATOM 0 H LEU A 24 1.996 2.705 1.622 1.00 0.00 H new ATOM 0 HA LEU A 24 1.212 5.038 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.163 2.269 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.946 3.487 0.008 1.00 0.00 H new ATOM 0 HG LEU A 24 1.650 2.851 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.346 1.385 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.368 0.777 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.079 1.600 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.463 3.809 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.956 4.118 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.574 4.969 -1.997 1.00 0.00 H new ATOM 318 N ASP A 25 -0.022 4.376 3.031 1.00 0.00 N ATOM 319 CA ASP A 25 -0.834 4.913 4.117 1.00 0.00 C ATOM 320 C ASP A 25 -0.026 5.888 4.969 1.00 0.00 C ATOM 321 O ASP A 25 0.875 5.486 5.704 1.00 0.00 O ATOM 322 CB ASP A 25 -1.372 3.778 4.990 1.00 0.00 C ATOM 323 CG ASP A 25 -1.709 4.238 6.394 1.00 0.00 C ATOM 324 OD1 ASP A 25 -2.563 5.139 6.535 1.00 0.00 O ATOM 325 OD2 ASP A 25 -1.121 3.696 7.353 1.00 0.00 O ATOM 0 H ASP A 25 0.522 3.550 3.280 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.674 5.452 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.263 3.357 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.631 2.980 5.040 1.00 0.00 H new ATOM 330 N GLY A 26 -0.356 7.172 4.864 1.00 0.00 N ATOM 331 CA GLY A 26 0.349 8.183 5.629 1.00 0.00 C ATOM 332 C GLY A 26 0.130 9.580 5.083 1.00 0.00 C ATOM 333 O GLY A 26 -0.077 9.777 3.886 1.00 0.00 O ATOM 0 H GLY A 26 -1.099 7.529 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.018 8.146 6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.416 7.958 5.627 1.00 0.00 H new ATOM 337 N PRO A 27 0.173 10.582 5.975 1.00 0.00 N ATOM 338 CA PRO A 27 -0.021 11.985 5.599 1.00 0.00 C ATOM 339 C PRO A 27 1.144 12.533 4.781 1.00 0.00 C ATOM 340 O PRO A 27 0.963 13.412 3.939 1.00 0.00 O ATOM 341 CB PRO A 27 -0.113 12.704 6.947 1.00 0.00 C ATOM 342 CG PRO A 27 0.635 11.830 7.894 1.00 0.00 C ATOM 343 CD PRO A 27 0.415 10.421 7.418 1.00 0.00 C ATOM 0 HA PRO A 27 -0.899 12.120 4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.327 13.700 6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.150 12.830 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.696 12.079 7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.272 11.959 8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.283 9.791 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.434 9.956 7.918 1.00 0.00 H new ATOM 351 N GLU A 28 2.338 12.006 5.034 1.00 0.00 N ATOM 352 CA GLU A 28 3.532 12.444 4.320 1.00 0.00 C ATOM 353 C GLU A 28 3.649 11.738 2.972 1.00 0.00 C ATOM 354 O GLU A 28 4.259 12.258 2.039 1.00 0.00 O ATOM 355 CB GLU A 28 4.782 12.175 5.160 1.00 0.00 C ATOM 356 CG GLU A 28 5.909 13.163 4.908 1.00 0.00 C ATOM 357 CD GLU A 28 6.910 13.208 6.046 1.00 0.00 C ATOM 358 OE1 GLU A 28 7.595 12.189 6.274 1.00 0.00 O ATOM 359 OE2 GLU A 28 7.009 14.262 6.708 1.00 0.00 O ATOM 0 H GLU A 28 2.504 11.276 5.727 1.00 0.00 H new ATOM 0 HA GLU A 28 3.446 13.516 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.513 12.205 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.140 11.167 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.424 12.893 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.489 14.158 4.759 1.00 0.00 H new ATOM 366 N ALA A 29 3.060 10.550 2.880 1.00 0.00 N ATOM 367 CA ALA A 29 3.097 9.774 1.647 1.00 0.00 C ATOM 368 C ALA A 29 2.902 10.669 0.428 1.00 0.00 C ATOM 369 O ALA A 29 1.777 11.030 0.086 1.00 0.00 O ATOM 370 CB ALA A 29 2.036 8.683 1.678 1.00 0.00 C ATOM 0 H ALA A 29 2.552 10.105 3.644 1.00 0.00 H new ATOM 0 HA ALA A 29 4.080 9.309 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.075 8.111 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.222 8.019 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.051 9.137 1.783 1.00 0.00 H new ATOM 376 N GLN A 30 4.006 11.023 -0.223 1.00 0.00 N ATOM 377 CA GLN A 30 3.955 11.877 -1.403 1.00 0.00 C ATOM 378 C GLN A 30 2.801 11.477 -2.316 1.00 0.00 C ATOM 379 O GLN A 30 2.267 12.301 -3.057 1.00 0.00 O ATOM 380 CB GLN A 30 5.276 11.803 -2.170 1.00 0.00 C ATOM 381 CG GLN A 30 5.649 10.395 -2.605 1.00 0.00 C ATOM 382 CD GLN A 30 7.087 10.290 -3.073 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.693 11.281 -3.482 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.642 9.085 -3.016 1.00 0.00 N ATOM 0 H GLN A 30 4.945 10.732 0.047 1.00 0.00 H new ATOM 0 HA GLN A 30 3.793 12.902 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.211 12.441 -3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.073 12.204 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.491 9.708 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.985 10.080 -3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.103 8.291 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.607 8.953 -3.318 1.00 0.00 H new ATOM 393 N GLY A 31 2.419 10.204 -2.256 1.00 0.00 N ATOM 394 CA GLY A 31 1.331 9.717 -3.083 1.00 0.00 C ATOM 395 C GLY A 31 0.160 9.215 -2.262 1.00 0.00 C ATOM 396 O GLY A 31 -0.142 9.760 -1.201 1.00 0.00 O ATOM 0 H GLY A 31 2.844 9.502 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.993 10.517 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.696 8.912 -3.721 1.00 0.00 H new ATOM 400 N SER A 32 -0.503 8.173 -2.755 1.00 0.00 N ATOM 401 CA SER A 32 -1.652 7.601 -2.063 1.00 0.00 C ATOM 402 C SER A 32 -2.086 6.294 -2.719 1.00 0.00 C ATOM 403 O SER A 32 -1.674 5.981 -3.836 1.00 0.00 O ATOM 404 CB SER A 32 -2.816 8.593 -2.056 1.00 0.00 C ATOM 405 OG SER A 32 -3.730 8.300 -1.013 1.00 0.00 O ATOM 0 H SER A 32 -0.264 7.708 -3.631 1.00 0.00 H new ATOM 0 HA SER A 32 -1.358 7.391 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.433 9.606 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.332 8.560 -3.016 1.00 0.00 H new ATOM 0 HG SER A 32 -4.464 8.949 -1.029 1.00 0.00 H new ATOM 411 N TRP A 33 -2.920 5.535 -2.017 1.00 0.00 N ATOM 412 CA TRP A 33 -3.410 4.261 -2.531 1.00 0.00 C ATOM 413 C TRP A 33 -4.666 4.461 -3.372 1.00 0.00 C ATOM 414 O TRP A 33 -4.925 3.703 -4.306 1.00 0.00 O ATOM 415 CB TRP A 33 -3.702 3.301 -1.377 1.00 0.00 C ATOM 416 CG TRP A 33 -4.814 3.765 -0.485 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.694 4.496 0.662 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.214 3.526 -0.666 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.935 4.727 1.205 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.884 4.143 0.409 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.967 2.853 -1.632 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.269 4.104 0.543 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.342 2.816 -1.498 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.982 3.439 -0.418 1.00 0.00 C ATOM 0 H TRP A 33 -3.271 5.779 -1.091 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.635 3.831 -3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.956 2.322 -1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.798 3.174 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.761 4.842 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.119 5.249 2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.483 2.370 -2.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.764 4.582 1.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.934 2.298 -2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -10.058 3.394 -0.342 1.00 0.00 H new ATOM 435 N ALA A 34 -5.442 5.486 -3.035 1.00 0.00 N ATOM 436 CA ALA A 34 -6.670 5.786 -3.761 1.00 0.00 C ATOM 437 C ALA A 34 -6.404 5.919 -5.257 1.00 0.00 C ATOM 438 O ALA A 34 -6.826 5.078 -6.049 1.00 0.00 O ATOM 439 CB ALA A 34 -7.306 7.058 -3.221 1.00 0.00 C ATOM 0 H ALA A 34 -5.242 6.123 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.362 4.957 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.222 7.269 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.541 6.927 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.612 7.890 -3.338 1.00 0.00 H new ATOM 445 N GLU A 35 -5.702 6.983 -5.636 1.00 0.00 N ATOM 446 CA GLU A 35 -5.382 7.226 -7.038 1.00 0.00 C ATOM 447 C GLU A 35 -4.765 5.986 -7.678 1.00 0.00 C ATOM 448 O GLU A 35 -5.041 5.669 -8.836 1.00 0.00 O ATOM 449 CB GLU A 35 -4.422 8.411 -7.166 1.00 0.00 C ATOM 450 CG GLU A 35 -3.747 8.502 -8.525 1.00 0.00 C ATOM 451 CD GLU A 35 -3.324 9.916 -8.871 1.00 0.00 C ATOM 452 OE1 GLU A 35 -4.203 10.802 -8.926 1.00 0.00 O ATOM 453 OE2 GLU A 35 -2.114 10.138 -9.088 1.00 0.00 O ATOM 0 H GLU A 35 -5.345 7.689 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.309 7.460 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.971 9.334 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.657 8.333 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.872 7.852 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.429 8.133 -9.291 1.00 0.00 H new ATOM 460 N LEU A 36 -3.929 5.288 -6.917 1.00 0.00 N ATOM 461 CA LEU A 36 -3.272 4.082 -7.409 1.00 0.00 C ATOM 462 C LEU A 36 -4.298 3.056 -7.879 1.00 0.00 C ATOM 463 O LEU A 36 -4.208 2.538 -8.991 1.00 0.00 O ATOM 464 CB LEU A 36 -2.391 3.476 -6.316 1.00 0.00 C ATOM 465 CG LEU A 36 -2.074 1.987 -6.458 1.00 0.00 C ATOM 466 CD1 LEU A 36 -1.217 1.739 -7.690 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.377 1.468 -5.209 1.00 0.00 C ATOM 0 H LEU A 36 -3.690 5.536 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.648 4.359 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.450 4.026 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.880 3.633 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.012 1.446 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.001 0.674 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.752 2.073 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.282 2.292 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.159 0.407 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.446 2.015 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.026 1.610 -4.345 1.00 0.00 H new ATOM 479 N ALA A 37 -5.274 2.768 -7.023 1.00 0.00 N ATOM 480 CA ALA A 37 -6.319 1.807 -7.352 1.00 0.00 C ATOM 481 C ALA A 37 -6.933 2.109 -8.715 1.00 0.00 C ATOM 482 O ALA A 37 -7.239 1.198 -9.483 1.00 0.00 O ATOM 483 CB ALA A 37 -7.394 1.808 -6.275 1.00 0.00 C ATOM 0 H ALA A 37 -5.362 3.187 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.867 0.816 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.168 1.086 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.950 1.537 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.835 2.802 -6.202 1.00 0.00 H new ATOM 489 N GLU A 38 -7.111 3.394 -9.008 1.00 0.00 N ATOM 490 CA GLU A 38 -7.690 3.814 -10.278 1.00 0.00 C ATOM 491 C GLU A 38 -6.761 3.472 -11.440 1.00 0.00 C ATOM 492 O GLU A 38 -7.211 3.043 -12.503 1.00 0.00 O ATOM 493 CB GLU A 38 -7.972 5.318 -10.263 1.00 0.00 C ATOM 494 CG GLU A 38 -8.658 5.796 -8.994 1.00 0.00 C ATOM 495 CD GLU A 38 -9.024 7.266 -9.047 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.131 7.586 -9.527 1.00 0.00 O ATOM 497 OE2 GLU A 38 -8.202 8.098 -8.608 1.00 0.00 O ATOM 0 H GLU A 38 -6.863 4.161 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.628 3.276 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.032 5.857 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.596 5.571 -11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.560 5.207 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.002 5.619 -8.142 1.00 0.00 H new ATOM 504 N ARG A 39 -5.463 3.664 -11.228 1.00 0.00 N ATOM 505 CA ARG A 39 -4.471 3.378 -12.257 1.00 0.00 C ATOM 506 C ARG A 39 -4.430 1.886 -12.573 1.00 0.00 C ATOM 507 O ARG A 39 -4.232 1.488 -13.722 1.00 0.00 O ATOM 508 CB ARG A 39 -3.088 3.853 -11.808 1.00 0.00 C ATOM 509 CG ARG A 39 -2.863 5.344 -12.001 1.00 0.00 C ATOM 510 CD ARG A 39 -1.819 5.880 -11.035 1.00 0.00 C ATOM 511 NE ARG A 39 -1.181 7.094 -11.536 1.00 0.00 N ATOM 512 CZ ARG A 39 -1.795 8.270 -11.611 1.00 0.00 C ATOM 513 NH1 ARG A 39 -3.056 8.389 -11.219 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.147 9.329 -12.079 1.00 0.00 N ATOM 0 H ARG A 39 -5.074 4.016 -10.353 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.757 3.916 -13.161 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.953 3.607 -10.755 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.327 3.305 -12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.544 5.535 -13.026 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.803 5.877 -11.855 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.288 6.088 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.060 5.117 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.211 7.036 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.557 7.577 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.525 9.293 -11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.177 9.241 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.619 10.231 -12.136 1.00 0.00 H new ATOM 528 N LEU A 40 -4.618 1.064 -11.546 1.00 0.00 N ATOM 529 CA LEU A 40 -4.602 -0.385 -11.713 1.00 0.00 C ATOM 530 C LEU A 40 -5.886 -0.870 -12.379 1.00 0.00 C ATOM 531 O LEU A 40 -5.872 -1.824 -13.157 1.00 0.00 O ATOM 532 CB LEU A 40 -4.426 -1.073 -10.358 1.00 0.00 C ATOM 533 CG LEU A 40 -3.139 -0.743 -9.601 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.260 -1.150 -8.140 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.947 -1.431 -10.251 1.00 0.00 C ATOM 0 H LEU A 40 -4.783 1.376 -10.589 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.760 -0.643 -12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.274 -0.809 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.467 -2.151 -10.512 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.980 0.334 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.335 -0.908 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.089 -0.612 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.443 -2.223 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.040 -1.185 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.098 -2.510 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.848 -1.091 -11.282 1.00 0.00 H new ATOM 547 N GLY A 41 -6.995 -0.205 -12.071 1.00 0.00 N ATOM 548 CA GLY A 41 -8.271 -0.582 -12.650 1.00 0.00 C ATOM 549 C GLY A 41 -9.298 -0.951 -11.598 1.00 0.00 C ATOM 550 O GLY A 41 -10.355 -1.498 -11.916 1.00 0.00 O ATOM 0 H GLY A 41 -7.033 0.588 -11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.652 0.243 -13.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.126 -1.427 -13.324 1.00 0.00 H new ATOM 554 N LEU A 42 -8.989 -0.654 -10.341 1.00 0.00 N ATOM 555 CA LEU A 42 -9.893 -0.960 -9.237 1.00 0.00 C ATOM 556 C LEU A 42 -10.437 0.319 -8.609 1.00 0.00 C ATOM 557 O LEU A 42 -10.400 0.488 -7.390 1.00 0.00 O ATOM 558 CB LEU A 42 -9.172 -1.795 -8.178 1.00 0.00 C ATOM 559 CG LEU A 42 -8.195 -2.848 -8.703 1.00 0.00 C ATOM 560 CD1 LEU A 42 -7.087 -3.100 -7.693 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.929 -4.141 -9.026 1.00 0.00 C ATOM 0 H LEU A 42 -8.119 -0.201 -10.060 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.731 -1.533 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.627 -1.118 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.922 -2.297 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.742 -2.471 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.402 -3.852 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.543 -2.173 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.521 -3.456 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.219 -4.879 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.409 -4.522 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.686 -3.950 -9.787 1.00 0.00 H new ATOM 573 N ARG A 43 -10.945 1.215 -9.449 1.00 0.00 N ATOM 574 CA ARG A 43 -11.498 2.478 -8.976 1.00 0.00 C ATOM 575 C ARG A 43 -12.868 2.267 -8.338 1.00 0.00 C ATOM 576 O ARG A 43 -13.348 3.110 -7.580 1.00 0.00 O ATOM 577 CB ARG A 43 -11.611 3.475 -10.132 1.00 0.00 C ATOM 578 CG ARG A 43 -12.446 2.966 -11.295 1.00 0.00 C ATOM 579 CD ARG A 43 -11.977 3.553 -12.617 1.00 0.00 C ATOM 580 NE ARG A 43 -12.486 4.906 -12.827 1.00 0.00 N ATOM 581 CZ ARG A 43 -13.758 5.179 -13.092 1.00 0.00 C ATOM 582 NH1 ARG A 43 -14.646 4.199 -13.179 1.00 0.00 N ATOM 583 NH2 ARG A 43 -14.145 6.436 -13.270 1.00 0.00 N ATOM 0 H ARG A 43 -10.985 1.089 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.823 2.881 -8.221 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.048 4.402 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.611 3.716 -10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.388 1.878 -11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.493 3.223 -11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.887 3.568 -12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.305 2.911 -13.435 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.828 5.683 -12.767 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.353 3.232 -13.042 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.622 4.412 -13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.465 7.193 -13.203 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.122 6.645 -13.474 1.00 0.00 H new ATOM 597 N SER A 44 -13.491 1.135 -8.649 1.00 0.00 N ATOM 598 CA SER A 44 -14.808 0.814 -8.109 1.00 0.00 C ATOM 599 C SER A 44 -14.688 0.181 -6.726 1.00 0.00 C ATOM 600 O SER A 44 -15.473 0.477 -5.825 1.00 0.00 O ATOM 601 CB SER A 44 -15.552 -0.132 -9.053 1.00 0.00 C ATOM 602 OG SER A 44 -14.811 -1.319 -9.275 1.00 0.00 O ATOM 0 H SER A 44 -13.106 0.425 -9.272 1.00 0.00 H new ATOM 0 HA SER A 44 -15.372 1.742 -8.017 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.525 -0.381 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.736 0.369 -10.004 1.00 0.00 H new ATOM 0 HG SER A 44 -15.309 -1.907 -9.880 1.00 0.00 H new ATOM 608 N LEU A 45 -13.700 -0.693 -6.566 1.00 0.00 N ATOM 609 CA LEU A 45 -13.475 -1.369 -5.293 1.00 0.00 C ATOM 610 C LEU A 45 -12.816 -0.432 -4.287 1.00 0.00 C ATOM 611 O LEU A 45 -12.498 -0.830 -3.167 1.00 0.00 O ATOM 612 CB LEU A 45 -12.603 -2.609 -5.499 1.00 0.00 C ATOM 613 CG LEU A 45 -13.312 -3.843 -6.060 1.00 0.00 C ATOM 614 CD1 LEU A 45 -12.305 -4.808 -6.665 1.00 0.00 C ATOM 615 CD2 LEU A 45 -14.126 -4.530 -4.973 1.00 0.00 C ATOM 0 H LEU A 45 -13.042 -0.950 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.443 -1.674 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.786 -2.347 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.154 -2.876 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.993 -3.521 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.828 -5.680 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.766 -4.312 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.598 -5.125 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.624 -5.406 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -13.465 -4.839 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.874 -3.838 -4.586 1.00 0.00 H new ATOM 627 N VAL A 46 -12.615 0.818 -4.694 1.00 0.00 N ATOM 628 CA VAL A 46 -11.998 1.814 -3.827 1.00 0.00 C ATOM 629 C VAL A 46 -12.832 2.043 -2.571 1.00 0.00 C ATOM 630 O VAL A 46 -12.330 2.541 -1.563 1.00 0.00 O ATOM 631 CB VAL A 46 -11.812 3.157 -4.558 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.214 4.196 -3.622 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.941 2.975 -5.792 1.00 0.00 C ATOM 0 H VAL A 46 -12.871 1.164 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.020 1.424 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.790 3.514 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.090 5.138 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.879 4.346 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.243 3.850 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.820 3.934 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.963 2.595 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.415 2.265 -6.470 1.00 0.00 H new ATOM 643 N ASP A 47 -14.107 1.676 -2.640 1.00 0.00 N ATOM 644 CA ASP A 47 -15.011 1.840 -1.507 1.00 0.00 C ATOM 645 C ASP A 47 -15.016 0.591 -0.631 1.00 0.00 C ATOM 646 O ASP A 47 -15.594 0.585 0.457 1.00 0.00 O ATOM 647 CB ASP A 47 -16.428 2.139 -1.999 1.00 0.00 C ATOM 648 CG ASP A 47 -16.480 3.341 -2.922 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.941 4.402 -2.544 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.060 3.220 -4.021 1.00 0.00 O ATOM 0 H ASP A 47 -14.538 1.263 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.657 2.680 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.819 1.266 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.077 2.315 -1.141 1.00 0.00 H new ATOM 655 N THR A 48 -14.369 -0.466 -1.112 1.00 0.00 N ATOM 656 CA THR A 48 -14.301 -1.721 -0.374 1.00 0.00 C ATOM 657 C THR A 48 -13.212 -1.674 0.691 1.00 0.00 C ATOM 658 O THR A 48 -13.299 -2.356 1.713 1.00 0.00 O ATOM 659 CB THR A 48 -14.032 -2.911 -1.314 1.00 0.00 C ATOM 660 OG1 THR A 48 -14.539 -4.118 -0.733 1.00 0.00 O ATOM 661 CG2 THR A 48 -12.543 -3.060 -1.587 1.00 0.00 C ATOM 0 H THR A 48 -13.885 -0.478 -2.010 1.00 0.00 H new ATOM 0 HA THR A 48 -15.270 -1.858 0.106 1.00 0.00 H new ATOM 0 HB THR A 48 -14.541 -2.721 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.366 -4.870 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.378 -3.907 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.166 -2.151 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.016 -3.229 -0.648 1.00 0.00 H new ATOM 669 N TYR A 49 -12.188 -0.864 0.448 1.00 0.00 N ATOM 670 CA TYR A 49 -11.080 -0.729 1.387 1.00 0.00 C ATOM 671 C TYR A 49 -11.276 0.485 2.289 1.00 0.00 C ATOM 672 O TYR A 49 -10.966 0.444 3.480 1.00 0.00 O ATOM 673 CB TYR A 49 -9.755 -0.608 0.631 1.00 0.00 C ATOM 674 CG TYR A 49 -9.652 -1.533 -0.561 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.426 -2.894 -0.391 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.778 -1.047 -1.856 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.330 -3.743 -1.477 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.685 -1.888 -2.947 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.461 -3.235 -2.753 1.00 0.00 C ATOM 680 OH TYR A 49 -9.366 -4.076 -3.838 1.00 0.00 O ATOM 0 H TYR A 49 -12.102 -0.291 -0.391 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.055 -1.623 2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.631 0.421 0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.934 -0.819 1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.324 -3.295 0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.952 0.007 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.153 -4.798 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.787 -1.493 -3.947 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.482 -3.560 -4.663 1.00 0.00 H new ATOM 690 N ARG A 50 -11.793 1.566 1.713 1.00 0.00 N ATOM 691 CA ARG A 50 -12.030 2.793 2.464 1.00 0.00 C ATOM 692 C ARG A 50 -12.829 2.508 3.732 1.00 0.00 C ATOM 693 O ARG A 50 -12.724 3.236 4.719 1.00 0.00 O ATOM 694 CB ARG A 50 -12.774 3.810 1.597 1.00 0.00 C ATOM 695 CG ARG A 50 -14.283 3.632 1.609 1.00 0.00 C ATOM 696 CD ARG A 50 -14.932 4.443 2.720 1.00 0.00 C ATOM 697 NE ARG A 50 -16.346 4.116 2.883 1.00 0.00 N ATOM 698 CZ ARG A 50 -17.217 4.908 3.499 1.00 0.00 C ATOM 699 NH1 ARG A 50 -16.821 6.067 4.006 1.00 0.00 N ATOM 700 NH2 ARG A 50 -18.487 4.541 3.607 1.00 0.00 N ATOM 0 H ARG A 50 -12.056 1.617 0.729 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.063 3.208 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.532 4.815 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.415 3.731 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.694 3.937 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.525 2.577 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.407 4.259 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.829 5.506 2.501 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.683 3.231 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.845 6.353 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.492 6.673 4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.795 3.650 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.155 5.149 4.080 1.00 0.00 H new ATOM 714 N GLN A 51 -13.626 1.445 3.697 1.00 0.00 N ATOM 715 CA GLN A 51 -14.443 1.065 4.844 1.00 0.00 C ATOM 716 C GLN A 51 -13.637 0.233 5.835 1.00 0.00 C ATOM 717 O GLN A 51 -13.944 0.197 7.027 1.00 0.00 O ATOM 718 CB GLN A 51 -15.673 0.281 4.383 1.00 0.00 C ATOM 719 CG GLN A 51 -15.334 -1.005 3.648 1.00 0.00 C ATOM 720 CD GLN A 51 -16.567 -1.762 3.197 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.672 -1.219 3.182 1.00 0.00 O ATOM 722 NE2 GLN A 51 -16.385 -3.025 2.827 1.00 0.00 N ATOM 0 H GLN A 51 -13.724 0.832 2.888 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.769 1.977 5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -16.288 0.042 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.274 0.915 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.718 -0.771 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.738 -1.644 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.452 -3.435 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.179 -3.584 2.515 1.00 0.00 H new ATOM 731 N THR A 52 -12.603 -0.437 5.335 1.00 0.00 N ATOM 732 CA THR A 52 -11.753 -1.271 6.176 1.00 0.00 C ATOM 733 C THR A 52 -10.712 -0.432 6.908 1.00 0.00 C ATOM 734 O THR A 52 -10.470 0.723 6.556 1.00 0.00 O ATOM 735 CB THR A 52 -11.035 -2.354 5.350 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.924 -1.782 4.651 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.989 -2.997 4.355 1.00 0.00 C ATOM 0 H THR A 52 -12.334 -0.418 4.351 1.00 0.00 H new ATOM 0 HA THR A 52 -12.405 -1.753 6.905 1.00 0.00 H new ATOM 0 HB THR A 52 -10.676 -3.123 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.204 -0.948 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.459 -3.759 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.818 -3.458 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.374 -2.236 3.676 1.00 0.00 H new ATOM 745 N THR A 53 -10.096 -1.020 7.929 1.00 0.00 N ATOM 746 CA THR A 53 -9.080 -0.327 8.711 1.00 0.00 C ATOM 747 C THR A 53 -7.750 -0.283 7.968 1.00 0.00 C ATOM 748 O THR A 53 -7.103 0.762 7.895 1.00 0.00 O ATOM 749 CB THR A 53 -8.868 -1.000 10.080 1.00 0.00 C ATOM 750 OG1 THR A 53 -10.131 -1.219 10.718 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.985 -0.143 10.974 1.00 0.00 C ATOM 0 H THR A 53 -10.283 -1.975 8.234 1.00 0.00 H new ATOM 0 HA THR A 53 -9.440 0.690 8.867 1.00 0.00 H new ATOM 0 HB THR A 53 -8.372 -1.957 9.917 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.988 -1.649 11.587 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.850 -0.639 11.935 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.014 -0.002 10.499 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.457 0.827 11.130 1.00 0.00 H new ATOM 759 N SER A 54 -7.346 -1.423 7.417 1.00 0.00 N ATOM 760 CA SER A 54 -6.090 -1.515 6.682 1.00 0.00 C ATOM 761 C SER A 54 -6.346 -1.779 5.201 1.00 0.00 C ATOM 762 O SER A 54 -6.257 -2.909 4.721 1.00 0.00 O ATOM 763 CB SER A 54 -5.213 -2.624 7.266 1.00 0.00 C ATOM 764 OG SER A 54 -3.956 -2.676 6.614 1.00 0.00 O ATOM 0 H SER A 54 -7.871 -2.296 7.466 1.00 0.00 H new ATOM 0 HA SER A 54 -5.570 -0.562 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.066 -2.453 8.332 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.719 -3.584 7.164 1.00 0.00 H new ATOM 0 HG SER A 54 -3.413 -3.392 7.006 1.00 0.00 H new ATOM 770 N PRO A 55 -6.671 -0.711 4.458 1.00 0.00 N ATOM 771 CA PRO A 55 -6.946 -0.801 3.021 1.00 0.00 C ATOM 772 C PRO A 55 -5.692 -1.106 2.209 1.00 0.00 C ATOM 773 O PRO A 55 -5.772 -1.645 1.105 1.00 0.00 O ATOM 774 CB PRO A 55 -7.482 0.591 2.675 1.00 0.00 C ATOM 775 CG PRO A 55 -6.898 1.490 3.709 1.00 0.00 C ATOM 776 CD PRO A 55 -6.796 0.667 4.963 1.00 0.00 C ATOM 0 HA PRO A 55 -7.639 -1.610 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.181 0.893 1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.571 0.613 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.918 1.855 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.529 2.365 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.933 0.955 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.677 0.785 5.594 1.00 0.00 H new ATOM 784 N SER A 56 -4.535 -0.758 2.762 1.00 0.00 N ATOM 785 CA SER A 56 -3.264 -0.992 2.087 1.00 0.00 C ATOM 786 C SER A 56 -3.074 -2.475 1.785 1.00 0.00 C ATOM 787 O SER A 56 -2.975 -2.876 0.626 1.00 0.00 O ATOM 788 CB SER A 56 -2.105 -0.483 2.947 1.00 0.00 C ATOM 789 OG SER A 56 -2.066 -1.149 4.197 1.00 0.00 O ATOM 0 H SER A 56 -4.451 -0.313 3.676 1.00 0.00 H new ATOM 0 HA SER A 56 -3.276 -0.446 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.163 -0.636 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.210 0.590 3.106 1.00 0.00 H new ATOM 0 HG SER A 56 -1.423 -0.702 4.786 1.00 0.00 H new ATOM 795 N GLY A 57 -3.025 -3.286 2.837 1.00 0.00 N ATOM 796 CA GLY A 57 -2.848 -4.716 2.665 1.00 0.00 C ATOM 797 C GLY A 57 -3.894 -5.324 1.751 1.00 0.00 C ATOM 798 O GLY A 57 -3.561 -5.941 0.740 1.00 0.00 O ATOM 0 H GLY A 57 -3.105 -2.978 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.856 -4.910 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.893 -5.204 3.639 1.00 0.00 H new ATOM 802 N SER A 58 -5.162 -5.150 2.109 1.00 0.00 N ATOM 803 CA SER A 58 -6.261 -5.692 1.317 1.00 0.00 C ATOM 804 C SER A 58 -6.158 -5.238 -0.136 1.00 0.00 C ATOM 805 O SER A 58 -6.403 -6.015 -1.060 1.00 0.00 O ATOM 806 CB SER A 58 -7.604 -5.256 1.906 1.00 0.00 C ATOM 807 OG SER A 58 -7.516 -3.963 2.477 1.00 0.00 O ATOM 0 H SER A 58 -5.454 -4.638 2.942 1.00 0.00 H new ATOM 0 HA SER A 58 -6.196 -6.780 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.365 -5.261 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.921 -5.971 2.665 1.00 0.00 H new ATOM 0 HG SER A 58 -7.092 -4.023 3.359 1.00 0.00 H new ATOM 813 N LEU A 59 -5.794 -3.975 -0.330 1.00 0.00 N ATOM 814 CA LEU A 59 -5.658 -3.416 -1.670 1.00 0.00 C ATOM 815 C LEU A 59 -4.655 -4.216 -2.495 1.00 0.00 C ATOM 816 O LEU A 59 -4.954 -4.646 -3.610 1.00 0.00 O ATOM 817 CB LEU A 59 -5.220 -1.952 -1.592 1.00 0.00 C ATOM 818 CG LEU A 59 -4.965 -1.255 -2.928 1.00 0.00 C ATOM 819 CD1 LEU A 59 -6.211 -1.298 -3.799 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.518 0.182 -2.704 1.00 0.00 C ATOM 0 H LEU A 59 -5.588 -3.319 0.424 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.630 -3.472 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.986 -1.393 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.308 -1.898 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.166 -1.786 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.010 -0.797 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.487 -2.335 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.030 -0.793 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.341 0.662 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.294 0.725 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.598 0.190 -2.120 1.00 0.00 H new ATOM 832 N LEU A 60 -3.464 -4.413 -1.940 1.00 0.00 N ATOM 833 CA LEU A 60 -2.416 -5.163 -2.623 1.00 0.00 C ATOM 834 C LEU A 60 -2.814 -6.626 -2.789 1.00 0.00 C ATOM 835 O LEU A 60 -2.452 -7.271 -3.773 1.00 0.00 O ATOM 836 CB LEU A 60 -1.102 -5.066 -1.845 1.00 0.00 C ATOM 837 CG LEU A 60 -0.285 -3.792 -2.065 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.849 -3.705 -1.056 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.258 -3.746 -3.486 1.00 0.00 C ATOM 0 H LEU A 60 -3.200 -4.064 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.278 -4.728 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.325 -5.152 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.482 -5.922 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.940 -2.933 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.420 -2.792 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.438 -3.691 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.504 -4.569 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.837 -2.833 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.898 -4.611 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.571 -3.761 -4.193 1.00 0.00 H new ATOM 851 N ARG A 61 -3.563 -7.144 -1.821 1.00 0.00 N ATOM 852 CA ARG A 61 -4.012 -8.531 -1.860 1.00 0.00 C ATOM 853 C ARG A 61 -5.065 -8.731 -2.946 1.00 0.00 C ATOM 854 O ARG A 61 -5.165 -9.805 -3.538 1.00 0.00 O ATOM 855 CB ARG A 61 -4.580 -8.944 -0.501 1.00 0.00 C ATOM 856 CG ARG A 61 -3.527 -9.456 0.469 1.00 0.00 C ATOM 857 CD ARG A 61 -3.325 -10.957 0.331 1.00 0.00 C ATOM 858 NE ARG A 61 -4.376 -11.715 1.004 1.00 0.00 N ATOM 859 CZ ARG A 61 -4.686 -12.970 0.700 1.00 0.00 C ATOM 860 NH1 ARG A 61 -4.029 -13.605 -0.260 1.00 0.00 N ATOM 861 NH2 ARG A 61 -5.656 -13.593 1.358 1.00 0.00 N ATOM 0 H ARG A 61 -3.872 -6.624 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.152 -9.159 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.089 -8.090 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.331 -9.719 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.583 -8.943 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.826 -9.220 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.305 -11.224 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.356 -11.232 0.748 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.901 -11.255 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.283 -13.130 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.270 -14.569 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.164 -13.108 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.894 -14.557 1.124 1.00 0.00 H new ATOM 875 N SER A 62 -5.850 -7.688 -3.201 1.00 0.00 N ATOM 876 CA SER A 62 -6.898 -7.751 -4.213 1.00 0.00 C ATOM 877 C SER A 62 -6.354 -7.367 -5.585 1.00 0.00 C ATOM 878 O SER A 62 -6.923 -7.727 -6.615 1.00 0.00 O ATOM 879 CB SER A 62 -8.057 -6.826 -3.834 1.00 0.00 C ATOM 880 OG SER A 62 -8.589 -7.168 -2.566 1.00 0.00 O ATOM 0 H SER A 62 -5.780 -6.791 -2.721 1.00 0.00 H new ATOM 0 HA SER A 62 -7.261 -8.778 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.712 -5.792 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.840 -6.890 -4.590 1.00 0.00 H new ATOM 0 HG SER A 62 -7.989 -6.846 -1.862 1.00 0.00 H new ATOM 886 N TYR A 63 -5.247 -6.632 -5.590 1.00 0.00 N ATOM 887 CA TYR A 63 -4.625 -6.196 -6.835 1.00 0.00 C ATOM 888 C TYR A 63 -4.001 -7.375 -7.575 1.00 0.00 C ATOM 889 O TYR A 63 -3.884 -7.361 -8.799 1.00 0.00 O ATOM 890 CB TYR A 63 -3.559 -5.135 -6.553 1.00 0.00 C ATOM 891 CG TYR A 63 -2.625 -4.892 -7.716 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.120 -4.600 -8.981 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.247 -4.953 -7.551 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.270 -4.377 -10.047 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.389 -4.730 -8.611 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.906 -4.443 -9.857 1.00 0.00 C ATOM 897 OH TYR A 63 -0.055 -4.222 -10.916 1.00 0.00 O ATOM 0 H TYR A 63 -4.762 -6.326 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.401 -5.764 -7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.051 -4.198 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.974 -5.441 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.188 -4.546 -9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.839 -5.179 -6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.672 -4.152 -11.024 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.680 -4.780 -8.465 1.00 0.00 H new ATOM 0 HH TYR A 63 0.768 -4.738 -10.787 1.00 0.00 H new ATOM 907 N GLU A 64 -3.603 -8.395 -6.820 1.00 0.00 N ATOM 908 CA GLU A 64 -2.990 -9.583 -7.404 1.00 0.00 C ATOM 909 C GLU A 64 -4.054 -10.601 -7.806 1.00 0.00 C ATOM 910 O GLU A 64 -3.899 -11.319 -8.795 1.00 0.00 O ATOM 911 CB GLU A 64 -2.010 -10.216 -6.415 1.00 0.00 C ATOM 912 CG GLU A 64 -2.685 -11.032 -5.326 1.00 0.00 C ATOM 913 CD GLU A 64 -1.699 -11.846 -4.510 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.597 -11.332 -4.226 1.00 0.00 O ATOM 915 OE2 GLU A 64 -2.031 -12.997 -4.156 1.00 0.00 O ATOM 0 H GLU A 64 -3.694 -8.423 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.446 -9.279 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.319 -10.857 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.416 -9.429 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.234 -10.363 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.416 -11.702 -5.779 1.00 0.00 H new ATOM 922 N LEU A 65 -5.132 -10.658 -7.032 1.00 0.00 N ATOM 923 CA LEU A 65 -6.222 -11.589 -7.306 1.00 0.00 C ATOM 924 C LEU A 65 -6.930 -11.229 -8.608 1.00 0.00 C ATOM 925 O LEU A 65 -7.379 -12.107 -9.344 1.00 0.00 O ATOM 926 CB LEU A 65 -7.223 -11.586 -6.150 1.00 0.00 C ATOM 927 CG LEU A 65 -6.718 -12.155 -4.823 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.621 -11.723 -3.679 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.631 -13.673 -4.892 1.00 0.00 C ATOM 0 H LEU A 65 -5.275 -10.071 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.798 -12.588 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.550 -10.560 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.102 -12.154 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.718 -11.762 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.246 -12.137 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.632 -10.635 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.633 -12.087 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.270 -14.060 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.618 -14.085 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.942 -13.962 -5.686 1.00 0.00 H new ATOM 941 N ALA A 66 -7.024 -9.933 -8.887 1.00 0.00 N ATOM 942 CA ALA A 66 -7.674 -9.458 -10.102 1.00 0.00 C ATOM 943 C ALA A 66 -6.865 -9.832 -11.339 1.00 0.00 C ATOM 944 O ALA A 66 -7.416 -10.002 -12.425 1.00 0.00 O ATOM 945 CB ALA A 66 -7.877 -7.952 -10.037 1.00 0.00 C ATOM 0 H ALA A 66 -6.658 -9.193 -8.288 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.648 -9.942 -10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.363 -7.611 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.503 -7.706 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.910 -7.459 -9.934 1.00 0.00 H new ATOM 951 N GLY A 67 -5.552 -9.959 -11.167 1.00 0.00 N ATOM 952 CA GLY A 67 -4.688 -10.311 -12.278 1.00 0.00 C ATOM 953 C GLY A 67 -3.650 -9.245 -12.566 1.00 0.00 C ATOM 954 O GLY A 67 -3.290 -9.014 -13.719 1.00 0.00 O ATOM 0 H GLY A 67 -5.072 -9.824 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.186 -11.253 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.295 -10.473 -13.169 1.00 0.00 H new ATOM 958 N GLY A 68 -3.166 -8.592 -11.513 1.00 0.00 N ATOM 959 CA GLY A 68 -2.169 -7.552 -11.679 1.00 0.00 C ATOM 960 C GLY A 68 -0.755 -8.098 -11.678 1.00 0.00 C ATOM 961 O GLY A 68 -0.551 -9.310 -11.603 1.00 0.00 O ATOM 0 H GLY A 68 -3.447 -8.766 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.351 -7.025 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.274 -6.822 -10.877 1.00 0.00 H new ATOM 965 N ASP A 69 0.223 -7.203 -11.762 1.00 0.00 N ATOM 966 CA ASP A 69 1.626 -7.603 -11.771 1.00 0.00 C ATOM 967 C ASP A 69 2.531 -6.416 -11.454 1.00 0.00 C ATOM 968 O ASP A 69 2.162 -5.263 -11.681 1.00 0.00 O ATOM 969 CB ASP A 69 2.001 -8.198 -13.129 1.00 0.00 C ATOM 970 CG ASP A 69 1.259 -7.538 -14.274 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.027 -7.720 -14.366 1.00 0.00 O ATOM 972 OD2 ASP A 69 1.910 -6.840 -15.080 1.00 0.00 O ATOM 0 H ASP A 69 0.071 -6.196 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 69 1.767 -8.361 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.074 -8.091 -13.286 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.784 -9.266 -13.127 1.00 0.00 H new ATOM 977 N LEU A 70 3.715 -6.706 -10.928 1.00 0.00 N ATOM 978 CA LEU A 70 4.673 -5.662 -10.579 1.00 0.00 C ATOM 979 C LEU A 70 4.606 -4.506 -11.572 1.00 0.00 C ATOM 980 O LEU A 70 4.264 -3.382 -11.209 1.00 0.00 O ATOM 981 CB LEU A 70 6.091 -6.236 -10.542 1.00 0.00 C ATOM 982 CG LEU A 70 7.083 -5.515 -9.628 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.607 -5.560 -8.184 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.469 -6.131 -9.755 1.00 0.00 C ATOM 0 H LEU A 70 4.035 -7.655 -10.734 1.00 0.00 H new ATOM 0 HA LEU A 70 4.415 -5.282 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.031 -7.279 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.491 -6.229 -11.556 1.00 0.00 H new ATOM 0 HG LEU A 70 7.142 -4.471 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.325 -5.042 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.635 -5.072 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.519 -6.598 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.162 -5.606 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.427 -7.183 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.812 -6.046 -10.786 1.00 0.00 H new ATOM 996 N ALA A 71 4.932 -4.793 -12.829 1.00 0.00 N ATOM 997 CA ALA A 71 4.904 -3.779 -13.875 1.00 0.00 C ATOM 998 C ALA A 71 3.757 -2.797 -13.658 1.00 0.00 C ATOM 999 O ALA A 71 3.976 -1.598 -13.491 1.00 0.00 O ATOM 1000 CB ALA A 71 4.788 -4.435 -15.243 1.00 0.00 C ATOM 0 H ALA A 71 5.218 -5.719 -13.147 1.00 0.00 H new ATOM 0 HA ALA A 71 5.839 -3.220 -13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.768 -3.666 -16.015 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.643 -5.091 -15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.869 -5.019 -15.290 1.00 0.00 H new ATOM 1006 N GLY A 72 2.532 -3.315 -13.663 1.00 0.00 N ATOM 1007 CA GLY A 72 1.369 -2.470 -13.467 1.00 0.00 C ATOM 1008 C GLY A 72 1.510 -1.559 -12.263 1.00 0.00 C ATOM 1009 O GLY A 72 1.140 -0.386 -12.316 1.00 0.00 O ATOM 0 H GLY A 72 2.325 -4.304 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.209 -1.865 -14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.485 -3.096 -13.343 1.00 0.00 H new ATOM 1013 N LEU A 73 2.046 -2.100 -11.174 1.00 0.00 N ATOM 1014 CA LEU A 73 2.234 -1.328 -9.950 1.00 0.00 C ATOM 1015 C LEU A 73 3.326 -0.279 -10.131 1.00 0.00 C ATOM 1016 O LEU A 73 3.204 0.849 -9.649 1.00 0.00 O ATOM 1017 CB LEU A 73 2.591 -2.257 -8.788 1.00 0.00 C ATOM 1018 CG LEU A 73 2.181 -1.777 -7.395 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.716 -1.372 -7.380 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.448 -2.859 -6.359 1.00 0.00 C ATOM 0 H LEU A 73 2.358 -3.069 -11.114 1.00 0.00 H new ATOM 0 HA LEU A 73 1.298 -0.817 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.126 -3.226 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.669 -2.415 -8.793 1.00 0.00 H new ATOM 0 HG LEU A 73 2.781 -0.903 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.442 -1.033 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.554 -0.564 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.099 -2.228 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.150 -2.501 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.874 -3.752 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.511 -3.101 -6.351 1.00 0.00 H new ATOM 1032 N LEU A 74 4.392 -0.655 -10.829 1.00 0.00 N ATOM 1033 CA LEU A 74 5.505 0.255 -11.075 1.00 0.00 C ATOM 1034 C LEU A 74 5.084 1.392 -12.000 1.00 0.00 C ATOM 1035 O LEU A 74 5.605 2.503 -11.909 1.00 0.00 O ATOM 1036 CB LEU A 74 6.684 -0.505 -11.686 1.00 0.00 C ATOM 1037 CG LEU A 74 7.455 -1.422 -10.736 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.272 -2.437 -11.521 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.354 -0.606 -9.819 1.00 0.00 C ATOM 0 H LEU A 74 4.509 -1.584 -11.234 1.00 0.00 H new ATOM 0 HA LEU A 74 5.811 0.683 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.313 -1.105 -12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.381 0.221 -12.104 1.00 0.00 H new ATOM 0 HG LEU A 74 6.736 -1.962 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.814 -3.081 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.606 -3.043 -12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.982 -1.915 -12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.895 -1.275 -9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.066 -0.039 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.746 0.081 -9.231 1.00 0.00 H new ATOM 1051 N GLU A 75 4.137 1.106 -12.889 1.00 0.00 N ATOM 1052 CA GLU A 75 3.646 2.106 -13.829 1.00 0.00 C ATOM 1053 C GLU A 75 2.896 3.217 -13.100 1.00 0.00 C ATOM 1054 O GLU A 75 2.988 4.388 -13.467 1.00 0.00 O ATOM 1055 CB GLU A 75 2.731 1.455 -14.869 1.00 0.00 C ATOM 1056 CG GLU A 75 1.697 2.405 -15.449 1.00 0.00 C ATOM 1057 CD GLU A 75 1.168 1.941 -16.792 1.00 0.00 C ATOM 1058 OE1 GLU A 75 0.978 0.719 -16.966 1.00 0.00 O ATOM 1059 OE2 GLU A 75 0.943 2.801 -17.670 1.00 0.00 O ATOM 0 H GLU A 75 3.695 0.191 -12.977 1.00 0.00 H new ATOM 0 HA GLU A 75 4.506 2.544 -14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.342 1.057 -15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.218 0.609 -14.411 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.867 2.503 -14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.140 3.395 -15.559 1.00 0.00 H new ATOM 1066 N ALA A 76 2.153 2.840 -12.064 1.00 0.00 N ATOM 1067 CA ALA A 76 1.388 3.803 -11.282 1.00 0.00 C ATOM 1068 C ALA A 76 2.271 4.501 -10.254 1.00 0.00 C ATOM 1069 O ALA A 76 2.233 5.724 -10.115 1.00 0.00 O ATOM 1070 CB ALA A 76 0.218 3.114 -10.594 1.00 0.00 C ATOM 0 H ALA A 76 2.065 1.874 -11.747 1.00 0.00 H new ATOM 0 HA ALA A 76 1.000 4.560 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.345 3.845 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.434 2.668 -11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.594 2.335 -9.930 1.00 0.00 H new ATOM 1076 N LEU A 77 3.067 3.717 -9.535 1.00 0.00 N ATOM 1077 CA LEU A 77 3.961 4.260 -8.518 1.00 0.00 C ATOM 1078 C LEU A 77 4.881 5.320 -9.113 1.00 0.00 C ATOM 1079 O LEU A 77 5.299 6.251 -8.424 1.00 0.00 O ATOM 1080 CB LEU A 77 4.793 3.139 -7.891 1.00 0.00 C ATOM 1081 CG LEU A 77 4.049 2.206 -6.935 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.901 0.990 -6.606 1.00 0.00 C ATOM 1083 CD2 LEU A 77 3.659 2.945 -5.663 1.00 0.00 C ATOM 0 H LEU A 77 3.112 2.703 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 77 3.351 4.727 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.221 2.538 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.626 3.590 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 77 3.138 1.865 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.356 0.337 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.130 0.447 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.829 1.313 -6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.131 2.265 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.557 3.316 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.010 3.784 -5.914 1.00 0.00 H new ATOM 1095 N SER A 78 5.192 5.175 -10.397 1.00 0.00 N ATOM 1096 CA SER A 78 6.064 6.119 -11.084 1.00 0.00 C ATOM 1097 C SER A 78 5.248 7.192 -11.799 1.00 0.00 C ATOM 1098 O SER A 78 5.782 8.219 -12.218 1.00 0.00 O ATOM 1099 CB SER A 78 6.955 5.386 -12.089 1.00 0.00 C ATOM 1100 OG SER A 78 8.164 6.091 -12.309 1.00 0.00 O ATOM 0 H SER A 78 4.852 4.412 -10.983 1.00 0.00 H new ATOM 0 HA SER A 78 6.693 6.603 -10.337 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.177 4.384 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.423 5.268 -13.033 1.00 0.00 H new ATOM 0 HG SER A 78 8.716 5.601 -12.954 1.00 0.00 H new ATOM 1106 N ASP A 79 3.950 6.945 -11.935 1.00 0.00 N ATOM 1107 CA ASP A 79 3.057 7.889 -12.598 1.00 0.00 C ATOM 1108 C ASP A 79 2.386 8.807 -11.582 1.00 0.00 C ATOM 1109 O ASP A 79 1.946 9.906 -11.920 1.00 0.00 O ATOM 1110 CB ASP A 79 1.997 7.139 -13.406 1.00 0.00 C ATOM 1111 CG ASP A 79 2.416 6.916 -14.846 1.00 0.00 C ATOM 1112 OD1 ASP A 79 3.630 6.757 -15.092 1.00 0.00 O ATOM 1113 OD2 ASP A 79 1.530 6.902 -15.727 1.00 0.00 O ATOM 0 H ASP A 79 3.492 6.099 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 79 3.653 8.501 -13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.800 6.176 -12.935 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.064 7.701 -13.385 1.00 0.00 H new ATOM 1118 N MET A 80 2.309 8.348 -10.338 1.00 0.00 N ATOM 1119 CA MET A 80 1.691 9.129 -9.272 1.00 0.00 C ATOM 1120 C MET A 80 2.721 10.016 -8.580 1.00 0.00 C ATOM 1121 O MET A 80 2.397 11.101 -8.099 1.00 0.00 O ATOM 1122 CB MET A 80 1.028 8.203 -8.251 1.00 0.00 C ATOM 1123 CG MET A 80 -0.071 7.335 -8.840 1.00 0.00 C ATOM 1124 SD MET A 80 -0.690 6.109 -7.672 1.00 0.00 S ATOM 1125 CE MET A 80 -1.068 7.146 -6.261 1.00 0.00 C ATOM 0 H MET A 80 2.667 7.440 -10.043 1.00 0.00 H new ATOM 0 HA MET A 80 0.930 9.769 -9.719 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.789 7.560 -7.808 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.611 8.805 -7.444 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.895 7.970 -9.165 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.309 6.827 -9.727 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.010 6.825 -5.815 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.270 7.062 -5.523 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.155 8.183 -6.585 1.00 0.00 H new ATOM 1135 N GLY A 81 3.964 9.545 -8.533 1.00 0.00 N ATOM 1136 CA GLY A 81 5.022 10.308 -7.897 1.00 0.00 C ATOM 1137 C GLY A 81 5.593 9.605 -6.681 1.00 0.00 C ATOM 1138 O GLY A 81 6.400 10.176 -5.946 1.00 0.00 O ATOM 0 H GLY A 81 4.257 8.649 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.820 10.487 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.635 11.283 -7.601 1.00 0.00 H new ATOM 1142 N LEU A 82 5.174 8.363 -6.467 1.00 0.00 N ATOM 1143 CA LEU A 82 5.648 7.581 -5.331 1.00 0.00 C ATOM 1144 C LEU A 82 6.963 6.881 -5.661 1.00 0.00 C ATOM 1145 O LEU A 82 7.090 5.669 -5.495 1.00 0.00 O ATOM 1146 CB LEU A 82 4.596 6.547 -4.923 1.00 0.00 C ATOM 1147 CG LEU A 82 3.278 7.107 -4.387 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.130 6.159 -4.696 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.375 7.359 -2.890 1.00 0.00 C ATOM 0 H LEU A 82 4.507 7.876 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 82 5.820 8.264 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.377 5.921 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.029 5.899 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 82 3.081 8.057 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.200 6.574 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.046 6.029 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.320 5.193 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.428 7.757 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.596 6.423 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.171 8.077 -2.693 1.00 0.00 H new ATOM 1161 N GLU A 83 7.937 7.655 -6.129 1.00 0.00 N ATOM 1162 CA GLU A 83 9.243 7.109 -6.481 1.00 0.00 C ATOM 1163 C GLU A 83 9.728 6.129 -5.416 1.00 0.00 C ATOM 1164 O GLU A 83 10.287 5.080 -5.734 1.00 0.00 O ATOM 1165 CB GLU A 83 10.262 8.237 -6.654 1.00 0.00 C ATOM 1166 CG GLU A 83 10.204 8.907 -8.017 1.00 0.00 C ATOM 1167 CD GLU A 83 10.687 8.001 -9.133 1.00 0.00 C ATOM 1168 OE1 GLU A 83 11.652 7.243 -8.905 1.00 0.00 O ATOM 1169 OE2 GLU A 83 10.100 8.051 -10.234 1.00 0.00 O ATOM 0 H GLU A 83 7.847 8.661 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 83 9.142 6.573 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.094 8.988 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.264 7.837 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.179 9.216 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.812 9.811 -7.999 1.00 0.00 H new ATOM 1176 N GLU A 84 9.509 6.481 -4.153 1.00 0.00 N ATOM 1177 CA GLU A 84 9.926 5.633 -3.042 1.00 0.00 C ATOM 1178 C GLU A 84 9.555 4.176 -3.301 1.00 0.00 C ATOM 1179 O GLU A 84 10.425 3.319 -3.451 1.00 0.00 O ATOM 1180 CB GLU A 84 9.283 6.110 -1.738 1.00 0.00 C ATOM 1181 CG GLU A 84 10.119 5.817 -0.504 1.00 0.00 C ATOM 1182 CD GLU A 84 11.502 6.435 -0.576 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.607 7.670 -0.424 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.477 5.684 -0.783 1.00 0.00 O ATOM 0 H GLU A 84 9.046 7.346 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 84 11.010 5.704 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.108 7.184 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.309 5.634 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.602 6.194 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.213 4.738 -0.381 1.00 0.00 H new ATOM 1191 N GLY A 85 8.254 3.902 -3.352 1.00 0.00 N ATOM 1192 CA GLY A 85 7.790 2.548 -3.592 1.00 0.00 C ATOM 1193 C GLY A 85 8.553 1.863 -4.708 1.00 0.00 C ATOM 1194 O GLY A 85 9.221 0.853 -4.484 1.00 0.00 O ATOM 0 H GLY A 85 7.514 4.594 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.890 1.965 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.729 2.570 -3.841 1.00 0.00 H new ATOM 1198 N VAL A 86 8.453 2.411 -5.915 1.00 0.00 N ATOM 1199 CA VAL A 86 9.139 1.845 -7.070 1.00 0.00 C ATOM 1200 C VAL A 86 10.518 1.320 -6.688 1.00 0.00 C ATOM 1201 O VAL A 86 10.827 0.147 -6.899 1.00 0.00 O ATOM 1202 CB VAL A 86 9.291 2.885 -8.196 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.041 2.287 -9.377 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.929 3.406 -8.628 1.00 0.00 C ATOM 0 H VAL A 86 7.904 3.246 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 86 8.526 1.018 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 86 9.871 3.725 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.139 3.036 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.032 1.968 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.490 1.428 -9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.056 4.140 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.321 2.578 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.433 3.875 -7.778 1.00 0.00 H new ATOM 1214 N ARG A 87 11.343 2.196 -6.124 1.00 0.00 N ATOM 1215 CA ARG A 87 12.690 1.820 -5.713 1.00 0.00 C ATOM 1216 C ARG A 87 12.661 0.584 -4.819 1.00 0.00 C ATOM 1217 O ARG A 87 13.363 -0.396 -5.074 1.00 0.00 O ATOM 1218 CB ARG A 87 13.363 2.980 -4.976 1.00 0.00 C ATOM 1219 CG ARG A 87 13.712 4.153 -5.876 1.00 0.00 C ATOM 1220 CD ARG A 87 13.766 5.457 -5.096 1.00 0.00 C ATOM 1221 NE ARG A 87 14.579 6.466 -5.771 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.892 6.356 -5.943 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.536 5.289 -5.493 1.00 0.00 N ATOM 1224 NH2 ARG A 87 16.562 7.316 -6.568 1.00 0.00 N ATOM 0 H ARG A 87 11.102 3.170 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 87 13.264 1.585 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.702 3.327 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.273 2.617 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.675 3.973 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.972 4.235 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.755 5.839 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.173 5.269 -4.103 1.00 0.00 H new ATOM 0 HE ARG A 87 14.114 7.300 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.024 4.549 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.544 5.208 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.069 8.138 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.570 7.232 -6.700 1.00 0.00 H new ATOM 1238 N LEU A 88 11.846 0.637 -3.772 1.00 0.00 N ATOM 1239 CA LEU A 88 11.725 -0.479 -2.839 1.00 0.00 C ATOM 1240 C LEU A 88 11.492 -1.789 -3.585 1.00 0.00 C ATOM 1241 O LEU A 88 12.070 -2.822 -3.243 1.00 0.00 O ATOM 1242 CB LEU A 88 10.580 -0.226 -1.857 1.00 0.00 C ATOM 1243 CG LEU A 88 10.620 -1.032 -0.558 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.472 -0.630 0.355 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.571 -2.524 -0.854 1.00 0.00 C ATOM 0 H LEU A 88 11.259 1.440 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 88 12.660 -0.560 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.573 0.834 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.639 -0.439 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 88 11.558 -0.814 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.517 -1.214 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.552 0.430 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.524 -0.818 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.600 -3.082 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.650 -2.759 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.427 -2.801 -1.469 1.00 0.00 H new ATOM 1257 N LEU A 89 10.643 -1.740 -4.605 1.00 0.00 N ATOM 1258 CA LEU A 89 10.335 -2.922 -5.402 1.00 0.00 C ATOM 1259 C LEU A 89 11.497 -3.276 -6.325 1.00 0.00 C ATOM 1260 O LEU A 89 11.769 -4.450 -6.574 1.00 0.00 O ATOM 1261 CB LEU A 89 9.067 -2.690 -6.225 1.00 0.00 C ATOM 1262 CG LEU A 89 7.875 -2.101 -5.470 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.808 -1.625 -6.444 1.00 0.00 C ATOM 1264 CD2 LEU A 89 7.298 -3.124 -4.502 1.00 0.00 C ATOM 0 H LEU A 89 10.155 -0.894 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 89 10.171 -3.756 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.312 -2.024 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.761 -3.641 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 89 8.222 -1.242 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.968 -1.209 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.227 -0.859 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.464 -2.466 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.451 -2.687 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.967 -4.002 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.063 -3.416 -3.782 1.00 0.00 H new ATOM 1276 N ARG A 90 12.179 -2.252 -6.827 1.00 0.00 N ATOM 1277 CA ARG A 90 13.312 -2.454 -7.721 1.00 0.00 C ATOM 1278 C ARG A 90 14.344 -3.384 -7.090 1.00 0.00 C ATOM 1279 O ARG A 90 14.829 -4.316 -7.729 1.00 0.00 O ATOM 1280 CB ARG A 90 13.962 -1.113 -8.067 1.00 0.00 C ATOM 1281 CG ARG A 90 13.192 -0.312 -9.104 1.00 0.00 C ATOM 1282 CD ARG A 90 13.341 -0.911 -10.494 1.00 0.00 C ATOM 1283 NE ARG A 90 14.502 -0.374 -11.199 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.507 0.799 -11.822 1.00 0.00 C ATOM 1285 NH1 ARG A 90 13.417 1.555 -11.827 1.00 0.00 N ATOM 1286 NH2 ARG A 90 15.603 1.219 -12.441 1.00 0.00 N ATOM 0 H ARG A 90 11.966 -1.274 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 90 12.942 -2.917 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.056 -0.519 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.972 -1.293 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.137 -0.281 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.550 0.717 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.434 -1.994 -10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.440 -0.711 -11.074 1.00 0.00 H new ATOM 0 HE ARG A 90 15.356 -0.931 -11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.573 1.236 -11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.423 2.455 -12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.443 0.641 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.605 2.120 -12.919 1.00 0.00 H new