USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 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 55 ASN : amide:sc= -0.442 K(o=-0.44,f=-6.2!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 22:sc= 0.199 USER MOD Set 3.1: A 34 SER OG : rot 161:sc= -2.3! USER MOD Set 3.2: A 66 MET CE :methyl 162:sc= -6.67! (180deg=-7.51!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 10 THR OG1 : rot -140:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.343 USER MOD Single : A 16 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -1.06 (180deg=-1.56) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -2.66! USER MOD Single : A 28 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 88:sc= -1.67! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 20:sc= 0.442 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.596 K(o=0.6,f=-1.9!) USER MOD Single : A 63 GLN : amide:sc= 0.19 K(o=0.19,f=-2.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.655 K(o=0.65,f=-2.9!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 141:sc= -0.0727 (180deg=-0.652) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.967 13.874 0.246 1.00 0.00 N ATOM 78 CA HIS A 9 7.965 12.831 0.053 1.00 0.00 C ATOM 79 C HIS A 9 7.028 12.750 1.255 1.00 0.00 C ATOM 80 O HIS A 9 7.262 13.387 2.282 1.00 0.00 O ATOM 81 CB HIS A 9 8.643 11.479 -0.172 1.00 0.00 C ATOM 82 CG HIS A 9 8.924 11.183 -1.613 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.965 11.758 -2.310 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.294 10.365 -2.488 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.962 11.308 -3.552 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.958 10.460 -3.686 1.00 0.00 N ATOM 0 HA HIS A 9 7.376 13.085 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.580 11.454 0.385 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.009 10.691 0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.429 9.751 -2.282 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.662 11.586 -4.326 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.716 9.958 -4.540 1.00 0.00 H new ATOM 94 N THR A 10 5.966 11.963 1.118 1.00 0.00 N ATOM 95 CA THR A 10 4.993 11.800 2.191 1.00 0.00 C ATOM 96 C THR A 10 4.642 10.331 2.397 1.00 0.00 C ATOM 97 O THR A 10 4.017 9.705 1.539 1.00 0.00 O ATOM 98 CB THR A 10 3.701 12.589 1.902 1.00 0.00 C ATOM 99 OG1 THR A 10 4.016 13.958 1.622 1.00 0.00 O ATOM 100 CG2 THR A 10 2.746 12.515 3.084 1.00 0.00 C ATOM 0 H THR A 10 5.758 11.428 0.275 1.00 0.00 H new ATOM 0 HA THR A 10 5.454 12.191 3.098 1.00 0.00 H new ATOM 0 HB THR A 10 3.215 12.143 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.349 14.540 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.841 13.079 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.486 11.474 3.277 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.226 12.939 3.966 1.00 0.00 H new ATOM 108 N LEU A 11 5.046 9.786 3.539 1.00 0.00 N ATOM 109 CA LEU A 11 4.773 8.389 3.858 1.00 0.00 C ATOM 110 C LEU A 11 3.506 8.259 4.698 1.00 0.00 C ATOM 111 O LEU A 11 3.218 9.110 5.542 1.00 0.00 O ATOM 112 CB LEU A 11 5.959 7.775 4.604 1.00 0.00 C ATOM 113 CG LEU A 11 7.252 7.625 3.802 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.463 7.777 4.709 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.283 6.283 3.087 1.00 0.00 C ATOM 0 H LEU A 11 5.564 10.290 4.259 1.00 0.00 H new ATOM 0 HA LEU A 11 4.622 7.851 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.168 8.388 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.664 6.790 4.967 1.00 0.00 H new ATOM 0 HG LEU A 11 7.285 8.414 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.374 7.667 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.448 8.763 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.436 7.010 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.210 6.194 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.226 5.479 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.435 6.214 2.406 1.00 0.00 H new ATOM 127 N LEU A 12 2.754 7.190 4.464 1.00 0.00 N ATOM 128 CA LEU A 12 1.519 6.947 5.201 1.00 0.00 C ATOM 129 C LEU A 12 1.653 5.722 6.100 1.00 0.00 C ATOM 130 O LEU A 12 2.435 4.814 5.817 1.00 0.00 O ATOM 131 CB LEU A 12 0.352 6.757 4.231 1.00 0.00 C ATOM 132 CG LEU A 12 -0.234 8.034 3.627 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.434 7.709 2.752 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.623 9.013 4.726 1.00 0.00 C ATOM 0 H LEU A 12 2.978 6.477 3.770 1.00 0.00 H new ATOM 0 HA LEU A 12 1.323 7.816 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.684 6.113 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.445 6.227 4.752 1.00 0.00 H new ATOM 0 HG LEU A 12 0.528 8.501 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.837 8.630 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.126 7.045 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.200 7.219 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.038 9.916 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.369 8.554 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.259 9.271 5.312 1.00 0.00 H new ATOM 146 N TYR A 13 0.882 5.701 7.182 1.00 0.00 N ATOM 147 CA TYR A 13 0.915 4.587 8.122 1.00 0.00 C ATOM 148 C TYR A 13 -0.449 3.909 8.210 1.00 0.00 C ATOM 149 O TYR A 13 -1.457 4.551 8.506 1.00 0.00 O ATOM 150 CB TYR A 13 1.345 5.074 9.507 1.00 0.00 C ATOM 151 CG TYR A 13 2.698 5.749 9.518 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.667 5.424 8.576 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.008 6.712 10.470 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.904 6.037 8.583 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.243 7.332 10.484 1.00 0.00 C ATOM 156 CZ TYR A 13 5.187 6.990 9.539 1.00 0.00 C ATOM 157 OH TYR A 13 6.419 7.605 9.549 1.00 0.00 O ATOM 0 H TYR A 13 0.227 6.443 7.430 1.00 0.00 H new ATOM 0 HA TYR A 13 1.640 3.859 7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.598 5.771 9.886 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.366 4.226 10.191 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.448 4.679 7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.271 6.981 11.212 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.646 5.772 7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.467 8.080 11.230 1.00 0.00 H new ATOM 0 HH TYR A 13 6.456 8.251 10.285 1.00 0.00 H new ATOM 167 N VAL A 14 -0.472 2.605 7.951 1.00 0.00 N ATOM 168 CA VAL A 14 -1.710 1.837 8.003 1.00 0.00 C ATOM 169 C VAL A 14 -1.749 0.940 9.234 1.00 0.00 C ATOM 170 O VAL A 14 -0.715 0.463 9.702 1.00 0.00 O ATOM 171 CB VAL A 14 -1.885 0.969 6.743 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.236 0.272 6.757 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.725 1.814 5.488 1.00 0.00 C ATOM 0 H VAL A 14 0.353 2.059 7.703 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.527 2.557 8.056 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.109 0.204 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.341 -0.336 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.307 -0.366 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.030 1.018 6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.852 1.185 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.477 2.603 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.731 2.261 5.475 1.00 0.00 H new ATOM 183 N TYR A 15 -2.950 0.713 9.756 1.00 0.00 N ATOM 184 CA TYR A 15 -3.125 -0.126 10.935 1.00 0.00 C ATOM 185 C TYR A 15 -4.370 -0.998 10.804 1.00 0.00 C ATOM 186 O TYR A 15 -5.153 -0.844 9.868 1.00 0.00 O ATOM 187 CB TYR A 15 -3.225 0.739 12.192 1.00 0.00 C ATOM 188 CG TYR A 15 -2.080 1.715 12.349 1.00 0.00 C ATOM 189 CD1 TYR A 15 -2.096 2.944 11.704 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.984 1.406 13.145 1.00 0.00 C ATOM 191 CE1 TYR A 15 -1.052 3.838 11.844 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.064 2.294 13.292 1.00 0.00 C ATOM 193 CZ TYR A 15 0.026 3.508 12.639 1.00 0.00 C ATOM 194 OH TYR A 15 1.067 4.396 12.782 1.00 0.00 O ATOM 0 H TYR A 15 -3.816 1.099 9.381 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.255 -0.777 11.018 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.163 1.293 12.167 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.261 0.090 13.067 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.939 3.206 11.082 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.951 0.456 13.657 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.080 4.790 11.334 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.909 2.039 13.915 1.00 0.00 H new ATOM 0 HH TYR A 15 0.730 5.312 12.696 1.00 0.00 H new ATOM 204 N ASN A 16 -4.544 -1.915 11.750 1.00 0.00 N ATOM 205 CA ASN A 16 -5.694 -2.813 11.742 1.00 0.00 C ATOM 206 C ASN A 16 -5.708 -3.666 10.477 1.00 0.00 C ATOM 207 O ASN A 16 -6.712 -3.724 9.765 1.00 0.00 O ATOM 208 CB ASN A 16 -6.993 -2.012 11.845 1.00 0.00 C ATOM 209 CG ASN A 16 -7.390 -1.737 13.282 1.00 0.00 C ATOM 210 OD1 ASN A 16 -8.490 -2.084 13.712 1.00 0.00 O ATOM 211 ND2 ASN A 16 -6.493 -1.109 14.033 1.00 0.00 N ATOM 0 H ASN A 16 -3.904 -2.056 12.532 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.614 -3.475 12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.876 -1.066 11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.794 -2.559 11.348 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.704 -0.896 15.008 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.593 -0.840 13.635 1.00 0.00 H new ATOM 218 N LEU A 17 -4.589 -4.327 10.203 1.00 0.00 N ATOM 219 CA LEU A 17 -4.472 -5.178 9.024 1.00 0.00 C ATOM 220 C LEU A 17 -4.710 -6.641 9.383 1.00 0.00 C ATOM 221 O LEU A 17 -4.421 -7.088 10.493 1.00 0.00 O ATOM 222 CB LEU A 17 -3.090 -5.015 8.388 1.00 0.00 C ATOM 223 CG LEU A 17 -2.822 -3.678 7.697 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.329 -3.467 7.504 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.549 -3.614 6.361 1.00 0.00 C ATOM 0 H LEU A 17 -3.750 -4.290 10.781 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.233 -4.870 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.337 -5.158 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.952 -5.812 7.658 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.201 -2.879 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.158 -2.510 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.833 -3.469 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.925 -4.270 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.347 -2.656 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.200 -4.421 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.621 -3.719 6.525 1.00 0.00 H new ATOM 237 N PRO A 18 -5.247 -7.407 8.422 1.00 0.00 N ATOM 238 CA PRO A 18 -5.533 -8.832 8.612 1.00 0.00 C ATOM 239 C PRO A 18 -4.263 -9.671 8.707 1.00 0.00 C ATOM 240 O PRO A 18 -3.750 -10.152 7.697 1.00 0.00 O ATOM 241 CB PRO A 18 -6.328 -9.205 7.359 1.00 0.00 C ATOM 242 CG PRO A 18 -5.900 -8.216 6.330 1.00 0.00 C ATOM 243 CD PRO A 18 -5.616 -6.940 7.075 1.00 0.00 C ATOM 0 HA PRO A 18 -6.067 -9.019 9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.111 -10.225 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.401 -9.149 7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.014 -8.564 5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.680 -8.067 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.808 -6.375 6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.488 -6.287 7.101 1.00 0.00 H new ATOM 251 N ALA A 19 -3.762 -9.842 9.925 1.00 0.00 N ATOM 252 CA ALA A 19 -2.553 -10.625 10.151 1.00 0.00 C ATOM 253 C ALA A 19 -2.680 -12.018 9.544 1.00 0.00 C ATOM 254 O ALA A 19 -1.732 -12.539 8.959 1.00 0.00 O ATOM 255 CB ALA A 19 -2.257 -10.721 11.641 1.00 0.00 C ATOM 0 H ALA A 19 -4.174 -9.449 10.771 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.723 -10.117 9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.352 -11.308 11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.114 -9.720 12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.093 -11.203 12.148 1.00 0.00 H new ATOM 261 N ASN A 20 -3.858 -12.616 9.688 1.00 0.00 N ATOM 262 CA ASN A 20 -4.108 -13.950 9.154 1.00 0.00 C ATOM 263 C ASN A 20 -3.836 -13.995 7.653 1.00 0.00 C ATOM 264 O ASN A 20 -3.128 -14.877 7.166 1.00 0.00 O ATOM 265 CB ASN A 20 -5.552 -14.372 9.434 1.00 0.00 C ATOM 266 CG ASN A 20 -5.819 -14.572 10.914 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.438 -13.729 11.564 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.352 -15.692 11.453 1.00 0.00 N ATOM 0 H ASN A 20 -4.654 -12.198 10.170 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.430 -14.645 9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.231 -13.614 9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.767 -15.298 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.501 -15.882 12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.844 -16.363 10.876 1.00 0.00 H new ATOM 275 N LYS A 21 -4.402 -13.039 6.926 1.00 0.00 N ATOM 276 CA LYS A 21 -4.220 -12.967 5.481 1.00 0.00 C ATOM 277 C LYS A 21 -2.740 -12.871 5.123 1.00 0.00 C ATOM 278 O LYS A 21 -2.105 -11.839 5.342 1.00 0.00 O ATOM 279 CB LYS A 21 -4.973 -11.763 4.910 1.00 0.00 C ATOM 280 CG LYS A 21 -6.474 -11.825 5.129 1.00 0.00 C ATOM 281 CD LYS A 21 -7.178 -12.518 3.974 1.00 0.00 C ATOM 282 CE LYS A 21 -6.993 -14.027 4.034 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.133 -14.548 5.422 1.00 0.00 N ATOM 0 H LYS A 21 -4.991 -12.302 7.314 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.623 -13.880 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.585 -10.853 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.773 -11.694 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.686 -12.357 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.868 -10.815 5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.241 -12.279 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.788 -12.140 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.728 -14.509 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.009 -14.288 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.471 -15.531 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.210 -14.514 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.816 -13.963 5.945 1.00 0.00 H new ATOM 297 N ASP A 22 -2.198 -13.951 4.572 1.00 0.00 N ATOM 298 CA ASP A 22 -0.794 -13.987 4.181 1.00 0.00 C ATOM 299 C ASP A 22 -0.333 -12.621 3.681 1.00 0.00 C ATOM 300 O ASP A 22 -0.930 -12.050 2.769 1.00 0.00 O ATOM 301 CB ASP A 22 -0.570 -15.043 3.097 1.00 0.00 C ATOM 302 CG ASP A 22 -0.382 -16.432 3.673 1.00 0.00 C ATOM 303 OD1 ASP A 22 -1.077 -16.768 4.655 1.00 0.00 O ATOM 304 OD2 ASP A 22 0.461 -17.185 3.141 1.00 0.00 O ATOM 0 H ASP A 22 -2.710 -14.813 4.386 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.205 -14.250 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.421 -15.047 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.307 -14.775 2.508 1.00 0.00 H new ATOM 309 N GLY A 23 0.732 -12.103 4.285 1.00 0.00 N ATOM 310 CA GLY A 23 1.253 -10.808 3.889 1.00 0.00 C ATOM 311 C GLY A 23 1.276 -10.629 2.383 1.00 0.00 C ATOM 312 O GLY A 23 0.669 -9.699 1.852 1.00 0.00 O ATOM 0 H GLY A 23 1.243 -12.557 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.644 -10.022 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.263 -10.690 4.281 1.00 0.00 H new ATOM 316 N LYS A 24 1.979 -11.520 1.694 1.00 0.00 N ATOM 317 CA LYS A 24 2.080 -11.457 0.240 1.00 0.00 C ATOM 318 C LYS A 24 0.759 -11.010 -0.378 1.00 0.00 C ATOM 319 O LYS A 24 0.736 -10.160 -1.268 1.00 0.00 O ATOM 320 CB LYS A 24 2.483 -12.822 -0.323 1.00 0.00 C ATOM 321 CG LYS A 24 3.982 -13.065 -0.315 1.00 0.00 C ATOM 322 CD LYS A 24 4.643 -12.516 -1.569 1.00 0.00 C ATOM 323 CE LYS A 24 6.148 -12.730 -1.545 1.00 0.00 C ATOM 324 NZ LYS A 24 6.523 -14.093 -2.014 1.00 0.00 N ATOM 0 H LYS A 24 2.488 -12.295 2.119 1.00 0.00 H new ATOM 0 HA LYS A 24 2.846 -10.725 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.994 -13.604 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.115 -12.907 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.423 -12.596 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.178 -14.135 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.219 -13.002 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.427 -11.451 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.631 -11.984 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.520 -12.580 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.557 -14.199 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.083 -14.806 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.191 -14.228 -2.990 1.00 0.00 H new ATOM 338 N SER A 25 -0.338 -11.587 0.100 1.00 0.00 N ATOM 339 CA SER A 25 -1.663 -11.249 -0.407 1.00 0.00 C ATOM 340 C SER A 25 -2.077 -9.852 0.044 1.00 0.00 C ATOM 341 O SER A 25 -2.425 -9.000 -0.774 1.00 0.00 O ATOM 342 CB SER A 25 -2.692 -12.277 0.068 1.00 0.00 C ATOM 343 OG SER A 25 -3.754 -12.402 -0.862 1.00 0.00 O ATOM 0 H SER A 25 -0.336 -12.291 0.838 1.00 0.00 H new ATOM 0 HA SER A 25 -1.623 -11.263 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.208 -13.244 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.088 -11.979 1.039 1.00 0.00 H new ATOM 0 HG SER A 25 -4.397 -13.066 -0.537 1.00 0.00 H new ATOM 349 N VAL A 26 -2.037 -9.623 1.353 1.00 0.00 N ATOM 350 CA VAL A 26 -2.408 -8.330 1.915 1.00 0.00 C ATOM 351 C VAL A 26 -1.867 -7.186 1.065 1.00 0.00 C ATOM 352 O VAL A 26 -2.628 -6.360 0.560 1.00 0.00 O ATOM 353 CB VAL A 26 -1.887 -8.175 3.356 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.308 -6.833 3.935 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.381 -9.319 4.228 1.00 0.00 C ATOM 0 H VAL A 26 -1.751 -10.317 2.044 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.497 -8.289 1.924 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.798 -8.209 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.931 -6.742 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.900 -6.029 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.396 -6.766 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.003 -9.193 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.471 -9.320 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.024 -10.266 3.823 1.00 0.00 H new ATOM 365 N SER A 27 -0.547 -7.144 0.909 1.00 0.00 N ATOM 366 CA SER A 27 0.097 -6.100 0.122 1.00 0.00 C ATOM 367 C SER A 27 -0.704 -5.800 -1.142 1.00 0.00 C ATOM 368 O SER A 27 -1.287 -4.726 -1.280 1.00 0.00 O ATOM 369 CB SER A 27 1.521 -6.517 -0.250 1.00 0.00 C ATOM 370 OG SER A 27 2.270 -6.858 0.903 1.00 0.00 O ATOM 0 H SER A 27 0.097 -7.821 1.318 1.00 0.00 H new ATOM 0 HA SER A 27 0.138 -5.195 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.488 -7.368 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.015 -5.703 -0.781 1.00 0.00 H new ATOM 0 HG SER A 27 3.176 -7.123 0.638 1.00 0.00 H new ATOM 376 N ASN A 28 -0.727 -6.759 -2.062 1.00 0.00 N ATOM 377 CA ASN A 28 -1.455 -6.599 -3.315 1.00 0.00 C ATOM 378 C ASN A 28 -2.727 -5.783 -3.105 1.00 0.00 C ATOM 379 O ASN A 28 -2.880 -4.699 -3.668 1.00 0.00 O ATOM 380 CB ASN A 28 -1.805 -7.967 -3.904 1.00 0.00 C ATOM 381 CG ASN A 28 -2.256 -7.877 -5.349 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.818 -7.000 -6.094 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.135 -8.786 -5.753 1.00 0.00 N ATOM 0 H ASN A 28 -0.250 -7.655 -1.963 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.812 -6.064 -4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.936 -8.621 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.594 -8.425 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.474 -8.775 -6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.471 -9.495 -5.101 1.00 0.00 H new ATOM 390 N ARG A 29 -3.635 -6.311 -2.291 1.00 0.00 N ATOM 391 CA ARG A 29 -4.893 -5.632 -2.007 1.00 0.00 C ATOM 392 C ARG A 29 -4.674 -4.132 -1.835 1.00 0.00 C ATOM 393 O ARG A 29 -5.376 -3.318 -2.437 1.00 0.00 O ATOM 394 CB ARG A 29 -5.537 -6.212 -0.746 1.00 0.00 C ATOM 395 CG ARG A 29 -6.736 -5.418 -0.254 1.00 0.00 C ATOM 396 CD ARG A 29 -7.900 -5.505 -1.229 1.00 0.00 C ATOM 397 NE ARG A 29 -8.717 -6.693 -1.001 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.858 -6.933 -1.638 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.313 -6.072 -2.538 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.546 -8.038 -1.377 1.00 0.00 N ATOM 0 H ARG A 29 -3.523 -7.207 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.561 -5.790 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.848 -7.237 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.790 -6.254 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.047 -5.794 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.452 -4.375 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.521 -4.614 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.518 -5.518 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.394 -7.376 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.787 -5.223 -2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.189 -6.259 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.199 -8.704 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.422 -8.221 -1.867 1.00 0.00 H new ATOM 414 N LEU A 30 -3.698 -3.773 -1.008 1.00 0.00 N ATOM 415 CA LEU A 30 -3.387 -2.370 -0.756 1.00 0.00 C ATOM 416 C LEU A 30 -2.798 -1.710 -1.999 1.00 0.00 C ATOM 417 O LEU A 30 -3.270 -0.663 -2.441 1.00 0.00 O ATOM 418 CB LEU A 30 -2.408 -2.247 0.413 1.00 0.00 C ATOM 419 CG LEU A 30 -2.975 -2.554 1.799 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.895 -4.044 2.091 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.237 -1.759 2.866 1.00 0.00 C ATOM 0 H LEU A 30 -3.109 -4.433 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.315 -1.858 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.568 -2.917 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.010 -1.232 0.422 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.024 -2.258 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.303 -4.243 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.470 -4.592 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.854 -4.366 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.654 -1.990 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.180 -2.023 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.348 -0.693 2.667 1.00 0.00 H new ATOM 433 N ARG A 31 -1.766 -2.332 -2.560 1.00 0.00 N ATOM 434 CA ARG A 31 -1.114 -1.807 -3.753 1.00 0.00 C ATOM 435 C ARG A 31 -2.128 -1.144 -4.680 1.00 0.00 C ATOM 436 O ARG A 31 -1.904 -0.039 -5.173 1.00 0.00 O ATOM 437 CB ARG A 31 -0.383 -2.926 -4.496 1.00 0.00 C ATOM 438 CG ARG A 31 1.023 -3.184 -3.979 1.00 0.00 C ATOM 439 CD ARG A 31 1.587 -4.487 -4.523 1.00 0.00 C ATOM 440 NE ARG A 31 1.424 -4.591 -5.971 1.00 0.00 N ATOM 441 CZ ARG A 31 1.460 -5.742 -6.633 1.00 0.00 C ATOM 442 NH1 ARG A 31 1.651 -6.880 -5.981 1.00 0.00 N ATOM 443 NH2 ARG A 31 1.303 -5.755 -7.951 1.00 0.00 N ATOM 0 H ARG A 31 -1.364 -3.200 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.389 -1.056 -3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.965 -3.844 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.331 -2.674 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.674 -2.358 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.010 -3.219 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.645 -4.557 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.088 -5.328 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 31 1.274 -3.733 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.771 -6.874 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.678 -7.762 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.155 -4.881 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.331 -6.639 -8.459 1.00 0.00 H new ATOM 457 N ARG A 32 -3.244 -1.828 -4.913 1.00 0.00 N ATOM 458 CA ARG A 32 -4.292 -1.307 -5.783 1.00 0.00 C ATOM 459 C ARG A 32 -4.884 -0.022 -5.211 1.00 0.00 C ATOM 460 O ARG A 32 -5.110 0.947 -5.936 1.00 0.00 O ATOM 461 CB ARG A 32 -5.395 -2.351 -5.970 1.00 0.00 C ATOM 462 CG ARG A 32 -5.170 -3.268 -7.160 1.00 0.00 C ATOM 463 CD ARG A 32 -5.814 -2.713 -8.421 1.00 0.00 C ATOM 464 NE ARG A 32 -7.272 -2.762 -8.357 1.00 0.00 N ATOM 465 CZ ARG A 32 -8.063 -2.491 -9.390 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.538 -2.156 -10.560 1.00 0.00 N ATOM 467 NH2 ARG A 32 -9.381 -2.557 -9.253 1.00 0.00 N ATOM 0 H ARG A 32 -3.445 -2.744 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.847 -1.082 -6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.469 -2.955 -5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.350 -1.840 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.100 -3.398 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.581 -4.254 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.492 -1.682 -8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.470 -3.282 -9.285 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.707 -3.018 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.525 -2.106 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.147 -1.948 -11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.788 -2.816 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.987 -2.349 -10.046 1.00 0.00 H new ATOM 481 N LEU A 33 -5.134 -0.022 -3.906 1.00 0.00 N ATOM 482 CA LEU A 33 -5.701 1.143 -3.236 1.00 0.00 C ATOM 483 C LEU A 33 -4.726 2.315 -3.264 1.00 0.00 C ATOM 484 O LEU A 33 -5.130 3.474 -3.168 1.00 0.00 O ATOM 485 CB LEU A 33 -6.060 0.799 -1.789 1.00 0.00 C ATOM 486 CG LEU A 33 -7.085 -0.320 -1.600 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.909 -0.982 -0.242 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.500 0.221 -1.752 1.00 0.00 C ATOM 0 H LEU A 33 -4.953 -0.815 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.606 1.434 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.146 0.519 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.441 1.699 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.920 -1.072 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.647 -1.776 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.907 -1.405 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.047 -0.240 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.216 -0.589 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.677 0.993 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.622 0.647 -2.748 1.00 0.00 H new ATOM 500 N SER A 34 -3.440 2.006 -3.400 1.00 0.00 N ATOM 501 CA SER A 34 -2.407 3.034 -3.440 1.00 0.00 C ATOM 502 C SER A 34 -2.108 3.448 -4.878 1.00 0.00 C ATOM 503 O SER A 34 -1.743 4.594 -5.142 1.00 0.00 O ATOM 504 CB SER A 34 -1.129 2.529 -2.767 1.00 0.00 C ATOM 505 OG SER A 34 -1.430 1.675 -1.677 1.00 0.00 O ATOM 0 H SER A 34 -3.089 1.052 -3.484 1.00 0.00 H new ATOM 0 HA SER A 34 -2.775 3.905 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.518 1.994 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.539 3.376 -2.417 1.00 0.00 H new ATOM 0 HG SER A 34 -0.643 1.133 -1.459 1.00 0.00 H new ATOM 511 N ASP A 35 -2.265 2.507 -5.802 1.00 0.00 N ATOM 512 CA ASP A 35 -2.013 2.773 -7.214 1.00 0.00 C ATOM 513 C ASP A 35 -2.906 3.900 -7.722 1.00 0.00 C ATOM 514 O ASP A 35 -2.573 4.580 -8.692 1.00 0.00 O ATOM 515 CB ASP A 35 -2.245 1.508 -8.042 1.00 0.00 C ATOM 516 CG ASP A 35 -1.785 1.664 -9.478 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.752 2.330 -9.702 1.00 0.00 O ATOM 518 OD2 ASP A 35 -2.457 1.119 -10.378 1.00 0.00 O ATOM 0 H ASP A 35 -2.565 1.554 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.973 3.082 -7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.715 0.674 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.306 1.258 -8.028 1.00 0.00 H new ATOM 523 N ASN A 36 -4.044 4.090 -7.062 1.00 0.00 N ATOM 524 CA ASN A 36 -4.987 5.133 -7.449 1.00 0.00 C ATOM 525 C ASN A 36 -4.637 6.458 -6.777 1.00 0.00 C ATOM 526 O ASN A 36 -4.763 7.524 -7.381 1.00 0.00 O ATOM 527 CB ASN A 36 -6.414 4.723 -7.079 1.00 0.00 C ATOM 528 CG ASN A 36 -7.447 5.717 -7.573 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.600 5.925 -8.776 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.163 6.337 -6.642 1.00 0.00 N ATOM 0 H ASN A 36 -4.335 3.536 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.922 5.264 -8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.628 3.741 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.493 4.629 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.874 7.017 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.002 6.134 -5.655 1.00 0.00 H new ATOM 537 N CYS A 37 -4.196 6.383 -5.527 1.00 0.00 N ATOM 538 CA CYS A 37 -3.828 7.576 -4.773 1.00 0.00 C ATOM 539 C CYS A 37 -2.363 7.934 -5.003 1.00 0.00 C ATOM 540 O CYS A 37 -1.726 8.558 -4.156 1.00 0.00 O ATOM 541 CB CYS A 37 -4.085 7.361 -3.281 1.00 0.00 C ATOM 542 SG CYS A 37 -5.630 6.496 -2.914 1.00 0.00 S ATOM 0 H CYS A 37 -4.084 5.509 -5.014 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.445 8.403 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.255 6.795 -2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.096 8.330 -2.782 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.420 5.213 -2.913 1.00 0.00 H new ATOM 548 N GLY A 38 -1.835 7.533 -6.155 1.00 0.00 N ATOM 549 CA GLY A 38 -0.449 7.819 -6.476 1.00 0.00 C ATOM 550 C GLY A 38 0.490 7.493 -5.331 1.00 0.00 C ATOM 551 O GLY A 38 1.299 8.326 -4.926 1.00 0.00 O ATOM 0 H GLY A 38 -2.343 7.015 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.157 7.246 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.349 8.873 -6.735 1.00 0.00 H new ATOM 555 N GLY A 39 0.380 6.276 -4.806 1.00 0.00 N ATOM 556 CA GLY A 39 1.231 5.864 -3.704 1.00 0.00 C ATOM 557 C GLY A 39 1.944 4.556 -3.981 1.00 0.00 C ATOM 558 O GLY A 39 1.726 3.927 -5.017 1.00 0.00 O ATOM 0 H GLY A 39 -0.283 5.569 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.969 6.642 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.628 5.762 -2.802 1.00 0.00 H new ATOM 562 N LYS A 40 2.801 4.143 -3.053 1.00 0.00 N ATOM 563 CA LYS A 40 3.550 2.901 -3.201 1.00 0.00 C ATOM 564 C LYS A 40 3.815 2.261 -1.842 1.00 0.00 C ATOM 565 O LYS A 40 4.510 2.830 -1.001 1.00 0.00 O ATOM 566 CB LYS A 40 4.876 3.164 -3.919 1.00 0.00 C ATOM 567 CG LYS A 40 5.595 1.897 -4.350 1.00 0.00 C ATOM 568 CD LYS A 40 6.793 2.209 -5.231 1.00 0.00 C ATOM 569 CE LYS A 40 8.027 2.530 -4.401 1.00 0.00 C ATOM 570 NZ LYS A 40 8.820 1.308 -4.091 1.00 0.00 N ATOM 0 H LYS A 40 2.994 4.651 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 40 2.951 2.213 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.688 3.782 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.529 3.736 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.924 1.346 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.903 1.251 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.001 1.358 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.559 3.054 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.652 3.242 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.724 3.012 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.652 1.569 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.232 0.639 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.131 0.862 -4.977 1.00 0.00 H new ATOM 584 N VAL A 41 3.256 1.072 -1.634 1.00 0.00 N ATOM 585 CA VAL A 41 3.433 0.353 -0.379 1.00 0.00 C ATOM 586 C VAL A 41 4.892 -0.039 -0.171 1.00 0.00 C ATOM 587 O VAL A 41 5.337 -1.088 -0.639 1.00 0.00 O ATOM 588 CB VAL A 41 2.561 -0.915 -0.330 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.711 -1.717 -1.614 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.919 -1.762 0.882 1.00 0.00 C ATOM 0 H VAL A 41 2.677 0.587 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 41 3.124 1.029 0.418 1.00 0.00 H new ATOM 0 HB VAL A 41 1.518 -0.613 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.087 -2.609 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.400 -1.107 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.753 -2.010 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.293 -2.654 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.967 -2.056 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.754 -1.184 1.791 1.00 0.00 H new ATOM 600 N LEU A 42 5.632 0.810 0.533 1.00 0.00 N ATOM 601 CA LEU A 42 7.042 0.553 0.804 1.00 0.00 C ATOM 602 C LEU A 42 7.230 -0.809 1.465 1.00 0.00 C ATOM 603 O LEU A 42 7.961 -1.661 0.959 1.00 0.00 O ATOM 604 CB LEU A 42 7.619 1.651 1.700 1.00 0.00 C ATOM 605 CG LEU A 42 7.710 3.045 1.077 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.751 3.885 1.801 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.039 2.947 -0.405 1.00 0.00 C ATOM 0 H LEU A 42 5.279 1.682 0.927 1.00 0.00 H new ATOM 0 HA LEU A 42 7.574 0.552 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.008 1.716 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.618 1.349 2.014 1.00 0.00 H new ATOM 0 HG LEU A 42 6.741 3.533 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.802 4.873 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.473 3.984 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.725 3.400 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.100 3.948 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.995 2.440 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.258 2.383 -0.915 1.00 0.00 H new ATOM 619 N SER A 43 6.564 -1.008 2.598 1.00 0.00 N ATOM 620 CA SER A 43 6.659 -2.266 3.330 1.00 0.00 C ATOM 621 C SER A 43 5.397 -2.514 4.150 1.00 0.00 C ATOM 622 O SER A 43 4.529 -1.646 4.251 1.00 0.00 O ATOM 623 CB SER A 43 7.883 -2.256 4.248 1.00 0.00 C ATOM 624 OG SER A 43 9.067 -2.536 3.521 1.00 0.00 O ATOM 0 H SER A 43 5.953 -0.314 3.029 1.00 0.00 H new ATOM 0 HA SER A 43 6.765 -3.072 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.971 -1.283 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.755 -2.995 5.039 1.00 0.00 H new ATOM 0 HG SER A 43 8.912 -2.372 2.567 1.00 0.00 H new ATOM 630 N ILE A 44 5.303 -3.703 4.734 1.00 0.00 N ATOM 631 CA ILE A 44 4.148 -4.066 5.547 1.00 0.00 C ATOM 632 C ILE A 44 4.561 -4.923 6.738 1.00 0.00 C ATOM 633 O ILE A 44 4.874 -6.104 6.589 1.00 0.00 O ATOM 634 CB ILE A 44 3.095 -4.828 4.720 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.468 -3.904 3.675 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.025 -5.409 5.632 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.002 -4.626 2.430 1.00 0.00 C ATOM 0 H ILE A 44 6.012 -4.432 4.660 1.00 0.00 H new ATOM 0 HA ILE A 44 3.711 -3.135 5.908 1.00 0.00 H new ATOM 0 HB ILE A 44 3.588 -5.650 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.620 -3.385 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.195 -3.142 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.288 -5.944 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.486 -6.097 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.534 -4.602 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.568 -3.908 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.850 -5.122 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.251 -5.369 2.700 1.00 0.00 H new ATOM 649 N THR A 45 4.558 -4.320 7.923 1.00 0.00 N ATOM 650 CA THR A 45 4.932 -5.027 9.141 1.00 0.00 C ATOM 651 C THR A 45 3.716 -5.281 10.025 1.00 0.00 C ATOM 652 O THR A 45 2.783 -4.480 10.059 1.00 0.00 O ATOM 653 CB THR A 45 5.982 -4.241 9.948 1.00 0.00 C ATOM 654 OG1 THR A 45 5.336 -3.274 10.784 1.00 0.00 O ATOM 655 CG2 THR A 45 6.964 -3.540 9.020 1.00 0.00 C ATOM 0 H THR A 45 4.301 -3.343 8.065 1.00 0.00 H new ATOM 0 HA THR A 45 5.360 -5.981 8.833 1.00 0.00 H new ATOM 0 HB THR A 45 6.533 -4.947 10.569 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.011 -2.780 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.696 -2.991 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.476 -4.281 8.406 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.424 -2.845 8.377 1.00 0.00 H new ATOM 663 N GLY A 46 3.733 -6.402 10.739 1.00 0.00 N ATOM 664 CA GLY A 46 2.626 -6.741 11.614 1.00 0.00 C ATOM 665 C GLY A 46 1.281 -6.384 11.012 1.00 0.00 C ATOM 666 O GLY A 46 1.043 -6.616 9.826 1.00 0.00 O ATOM 0 H GLY A 46 4.494 -7.082 10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.652 -7.809 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.745 -6.220 12.564 1.00 0.00 H new ATOM 670 N CYS A 47 0.400 -5.820 11.831 1.00 0.00 N ATOM 671 CA CYS A 47 -0.929 -5.432 11.373 1.00 0.00 C ATOM 672 C CYS A 47 -0.917 -4.018 10.801 1.00 0.00 C ATOM 673 O CYS A 47 -1.968 -3.419 10.575 1.00 0.00 O ATOM 674 CB CYS A 47 -1.934 -5.521 12.522 1.00 0.00 C ATOM 675 SG CYS A 47 -1.896 -7.093 13.415 1.00 0.00 S ATOM 0 H CYS A 47 0.582 -5.621 12.815 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.229 -6.121 10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.739 -4.711 13.225 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.937 -5.364 12.126 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.779 -7.072 14.369 1.00 0.00 H new ATOM 681 N SER A 48 0.281 -3.489 10.572 1.00 0.00 N ATOM 682 CA SER A 48 0.431 -2.142 10.032 1.00 0.00 C ATOM 683 C SER A 48 1.212 -2.166 8.722 1.00 0.00 C ATOM 684 O SER A 48 1.734 -3.204 8.317 1.00 0.00 O ATOM 685 CB SER A 48 1.139 -1.240 11.045 1.00 0.00 C ATOM 686 OG SER A 48 2.238 -1.907 11.641 1.00 0.00 O ATOM 0 H SER A 48 1.161 -3.972 10.752 1.00 0.00 H new ATOM 0 HA SER A 48 -0.564 -1.743 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.485 -0.333 10.549 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.434 -0.932 11.817 1.00 0.00 H new ATOM 0 HG SER A 48 2.527 -2.643 11.062 1.00 0.00 H new ATOM 692 N ALA A 49 1.287 -1.014 8.064 1.00 0.00 N ATOM 693 CA ALA A 49 2.006 -0.901 6.801 1.00 0.00 C ATOM 694 C ALA A 49 2.498 0.524 6.575 1.00 0.00 C ATOM 695 O ALA A 49 2.117 1.445 7.299 1.00 0.00 O ATOM 696 CB ALA A 49 1.118 -1.343 5.647 1.00 0.00 C ATOM 0 H ALA A 49 0.859 -0.146 8.385 1.00 0.00 H new ATOM 0 HA ALA A 49 2.876 -1.555 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.668 -1.253 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.819 -2.381 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.230 -0.712 5.609 1.00 0.00 H new ATOM 702 N ILE A 50 3.348 0.699 5.569 1.00 0.00 N ATOM 703 CA ILE A 50 3.892 2.013 5.248 1.00 0.00 C ATOM 704 C ILE A 50 3.914 2.247 3.742 1.00 0.00 C ATOM 705 O ILE A 50 4.417 1.419 2.981 1.00 0.00 O ATOM 706 CB ILE A 50 5.319 2.182 5.803 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.297 2.191 7.333 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.947 3.461 5.270 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.663 2.014 7.958 1.00 0.00 C ATOM 0 H ILE A 50 3.675 -0.053 4.962 1.00 0.00 H new ATOM 0 HA ILE A 50 3.238 2.748 5.717 1.00 0.00 H new ATOM 0 HB ILE A 50 5.924 1.338 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.868 3.132 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.640 1.395 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.955 3.566 5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.992 3.418 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.344 4.317 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.571 2.030 9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.086 1.060 7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.318 2.824 7.637 1.00 0.00 H new ATOM 721 N LEU A 51 3.367 3.380 3.316 1.00 0.00 N ATOM 722 CA LEU A 51 3.324 3.725 1.900 1.00 0.00 C ATOM 723 C LEU A 51 4.223 4.921 1.603 1.00 0.00 C ATOM 724 O LEU A 51 4.684 5.605 2.517 1.00 0.00 O ATOM 725 CB LEU A 51 1.888 4.033 1.472 1.00 0.00 C ATOM 726 CG LEU A 51 0.933 2.840 1.419 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.245 2.647 2.761 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.095 3.029 0.313 1.00 0.00 C ATOM 0 H LEU A 51 2.947 4.076 3.932 1.00 0.00 H new ATOM 0 HA LEU A 51 3.690 2.869 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.476 4.772 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.915 4.495 0.485 1.00 0.00 H new ATOM 0 HG LEU A 51 1.513 1.944 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.431 1.794 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.994 2.466 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.323 3.543 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.766 2.171 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.671 3.935 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.415 3.117 -0.646 1.00 0.00 H new ATOM 740 N ARG A 52 4.466 5.169 0.320 1.00 0.00 N ATOM 741 CA ARG A 52 5.308 6.284 -0.096 1.00 0.00 C ATOM 742 C ARG A 52 4.608 7.128 -1.158 1.00 0.00 C ATOM 743 O ARG A 52 4.364 6.664 -2.272 1.00 0.00 O ATOM 744 CB ARG A 52 6.642 5.768 -0.638 1.00 0.00 C ATOM 745 CG ARG A 52 7.525 6.858 -1.222 1.00 0.00 C ATOM 746 CD ARG A 52 8.440 7.460 -0.167 1.00 0.00 C ATOM 747 NE ARG A 52 9.613 6.626 0.081 1.00 0.00 N ATOM 748 CZ ARG A 52 10.594 6.965 0.910 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.543 8.116 1.567 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.628 6.153 1.083 1.00 0.00 N ATOM 0 H ARG A 52 4.092 4.613 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 52 5.495 6.910 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.182 5.267 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.447 5.020 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.125 6.446 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.901 7.641 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.761 8.451 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.885 7.591 0.762 1.00 0.00 H new ATOM 0 HE ARG A 52 9.683 5.734 -0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.749 8.743 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.298 8.374 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.671 5.267 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.381 6.414 1.720 1.00 0.00 H new ATOM 764 N PHE A 53 4.287 8.368 -0.804 1.00 0.00 N ATOM 765 CA PHE A 53 3.614 9.276 -1.725 1.00 0.00 C ATOM 766 C PHE A 53 4.527 10.435 -2.111 1.00 0.00 C ATOM 767 O PHE A 53 5.410 10.825 -1.346 1.00 0.00 O ATOM 768 CB PHE A 53 2.327 9.813 -1.095 1.00 0.00 C ATOM 769 CG PHE A 53 1.300 8.749 -0.830 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.388 7.950 0.298 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.248 8.549 -1.708 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.444 6.970 0.546 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.699 7.572 -1.466 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.600 6.781 -0.338 1.00 0.00 C ATOM 0 H PHE A 53 4.482 8.767 0.114 1.00 0.00 H new ATOM 0 HA PHE A 53 3.364 8.719 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.572 10.312 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.896 10.567 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.203 8.094 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.167 9.164 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.523 6.354 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.515 7.427 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.338 6.016 -0.148 1.00 0.00 H new ATOM 784 N ILE A 54 4.308 10.982 -3.302 1.00 0.00 N ATOM 785 CA ILE A 54 5.111 12.097 -3.789 1.00 0.00 C ATOM 786 C ILE A 54 4.913 13.336 -2.924 1.00 0.00 C ATOM 787 O ILE A 54 5.878 13.984 -2.520 1.00 0.00 O ATOM 788 CB ILE A 54 4.765 12.444 -5.250 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.586 13.646 -5.719 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.276 12.725 -5.388 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.892 13.627 -7.201 1.00 0.00 C ATOM 0 H ILE A 54 3.582 10.671 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 54 6.153 11.782 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 54 5.014 11.590 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.045 14.561 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.523 13.675 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.046 12.969 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.710 11.843 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.004 13.565 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.477 14.509 -7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.461 12.729 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.959 13.629 -7.765 1.00 0.00 H new ATOM 803 N ASN A 55 3.655 13.659 -2.640 1.00 0.00 N ATOM 804 CA ASN A 55 3.330 14.821 -1.821 1.00 0.00 C ATOM 805 C ASN A 55 2.201 14.500 -0.846 1.00 0.00 C ATOM 806 O ASN A 55 1.601 13.427 -0.908 1.00 0.00 O ATOM 807 CB ASN A 55 2.934 16.002 -2.708 1.00 0.00 C ATOM 808 CG ASN A 55 1.845 15.640 -3.700 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.766 15.188 -3.316 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.124 15.838 -4.983 1.00 0.00 N ATOM 0 H ASN A 55 2.844 13.132 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 55 4.217 15.089 -1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.592 16.825 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.811 16.357 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.430 15.613 -5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.032 16.215 -5.255 1.00 0.00 H new ATOM 817 N GLN A 56 1.917 15.438 0.051 1.00 0.00 N ATOM 818 CA GLN A 56 0.859 15.255 1.038 1.00 0.00 C ATOM 819 C GLN A 56 -0.476 14.971 0.359 1.00 0.00 C ATOM 820 O GLN A 56 -1.056 13.899 0.532 1.00 0.00 O ATOM 821 CB GLN A 56 0.740 16.496 1.925 1.00 0.00 C ATOM 822 CG GLN A 56 -0.478 16.480 2.834 1.00 0.00 C ATOM 823 CD GLN A 56 -0.265 17.269 4.110 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.789 17.872 4.312 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.268 17.270 4.981 1.00 0.00 N ATOM 0 H GLN A 56 2.404 16.332 0.115 1.00 0.00 H new ATOM 0 HA GLN A 56 1.120 14.397 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.638 16.583 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.699 17.382 1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.333 16.890 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.725 15.449 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.124 16.756 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.182 17.784 5.858 1.00 0.00 H new ATOM 834 N ASP A 57 -0.959 15.938 -0.413 1.00 0.00 N ATOM 835 CA ASP A 57 -2.226 15.792 -1.120 1.00 0.00 C ATOM 836 C ASP A 57 -2.440 14.347 -1.559 1.00 0.00 C ATOM 837 O ASP A 57 -3.385 13.689 -1.125 1.00 0.00 O ATOM 838 CB ASP A 57 -2.267 16.719 -2.335 1.00 0.00 C ATOM 839 CG ASP A 57 -3.683 17.066 -2.752 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.480 16.131 -2.979 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.994 18.271 -2.852 1.00 0.00 O ATOM 0 H ASP A 57 -0.492 16.832 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.029 16.068 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.724 17.636 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.752 16.242 -3.169 1.00 0.00 H new ATOM 846 N SER A 58 -1.556 13.860 -2.424 1.00 0.00 N ATOM 847 CA SER A 58 -1.650 12.494 -2.927 1.00 0.00 C ATOM 848 C SER A 58 -1.875 11.509 -1.784 1.00 0.00 C ATOM 849 O SER A 58 -2.790 10.688 -1.829 1.00 0.00 O ATOM 850 CB SER A 58 -0.380 12.122 -3.694 1.00 0.00 C ATOM 851 OG SER A 58 -0.467 12.523 -5.050 1.00 0.00 O ATOM 0 H SER A 58 -0.766 14.391 -2.791 1.00 0.00 H new ATOM 0 HA SER A 58 -2.503 12.440 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.483 12.596 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.221 11.045 -3.640 1.00 0.00 H new ATOM 0 HG SER A 58 0.358 12.275 -5.518 1.00 0.00 H new ATOM 857 N ALA A 59 -1.032 11.599 -0.760 1.00 0.00 N ATOM 858 CA ALA A 59 -1.139 10.717 0.397 1.00 0.00 C ATOM 859 C ALA A 59 -2.516 10.824 1.043 1.00 0.00 C ATOM 860 O ALA A 59 -3.138 9.814 1.369 1.00 0.00 O ATOM 861 CB ALA A 59 -0.052 11.043 1.410 1.00 0.00 C ATOM 0 H ALA A 59 -0.268 12.273 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.006 9.691 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.143 10.378 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.927 10.909 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.159 12.077 1.739 1.00 0.00 H new ATOM 867 N GLU A 60 -2.986 12.054 1.225 1.00 0.00 N ATOM 868 CA GLU A 60 -4.289 12.291 1.834 1.00 0.00 C ATOM 869 C GLU A 60 -5.377 11.493 1.120 1.00 0.00 C ATOM 870 O GLU A 60 -5.995 10.604 1.706 1.00 0.00 O ATOM 871 CB GLU A 60 -4.630 13.783 1.799 1.00 0.00 C ATOM 872 CG GLU A 60 -3.630 14.653 2.541 1.00 0.00 C ATOM 873 CD GLU A 60 -3.994 14.844 4.001 1.00 0.00 C ATOM 874 OE1 GLU A 60 -4.387 13.851 4.649 1.00 0.00 O ATOM 875 OE2 GLU A 60 -3.887 15.986 4.495 1.00 0.00 O ATOM 0 H GLU A 60 -2.484 12.901 0.959 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.241 11.961 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.684 14.111 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.619 13.931 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.640 14.201 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.570 15.627 2.055 1.00 0.00 H new ATOM 882 N ARG A 61 -5.604 11.818 -0.149 1.00 0.00 N ATOM 883 CA ARG A 61 -6.618 11.133 -0.942 1.00 0.00 C ATOM 884 C ARG A 61 -6.694 9.656 -0.569 1.00 0.00 C ATOM 885 O ARG A 61 -7.770 9.059 -0.576 1.00 0.00 O ATOM 886 CB ARG A 61 -6.311 11.278 -2.434 1.00 0.00 C ATOM 887 CG ARG A 61 -6.033 12.709 -2.863 1.00 0.00 C ATOM 888 CD ARG A 61 -6.104 12.862 -4.374 1.00 0.00 C ATOM 889 NE ARG A 61 -7.430 12.543 -4.895 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.694 12.385 -6.187 1.00 0.00 C ATOM 891 NH1 ARG A 61 -6.727 12.515 -7.085 1.00 0.00 N ATOM 892 NH2 ARG A 61 -8.927 12.096 -6.584 1.00 0.00 N ATOM 0 H ARG A 61 -5.100 12.550 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.583 11.593 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.448 10.660 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.153 10.893 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.755 13.377 -2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.046 13.010 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.844 13.885 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.365 12.210 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.196 12.436 -4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.778 12.737 -6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.932 12.393 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.674 11.995 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.128 11.975 -7.577 1.00 0.00 H new ATOM 906 N ALA A 62 -5.545 9.072 -0.244 1.00 0.00 N ATOM 907 CA ALA A 62 -5.482 7.666 0.133 1.00 0.00 C ATOM 908 C ALA A 62 -5.803 7.479 1.612 1.00 0.00 C ATOM 909 O ALA A 62 -6.521 6.553 1.988 1.00 0.00 O ATOM 910 CB ALA A 62 -4.108 7.095 -0.186 1.00 0.00 C ATOM 0 H ALA A 62 -4.645 9.552 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.232 7.127 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.075 6.044 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.916 7.186 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.348 7.646 0.367 1.00 0.00 H new ATOM 916 N GLN A 63 -5.267 8.365 2.446 1.00 0.00 N ATOM 917 CA GLN A 63 -5.496 8.296 3.884 1.00 0.00 C ATOM 918 C GLN A 63 -6.969 8.520 4.212 1.00 0.00 C ATOM 919 O GLN A 63 -7.464 8.063 5.242 1.00 0.00 O ATOM 920 CB GLN A 63 -4.636 9.332 4.609 1.00 0.00 C ATOM 921 CG GLN A 63 -4.728 9.246 6.124 1.00 0.00 C ATOM 922 CD GLN A 63 -5.832 10.116 6.692 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.206 11.129 6.100 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.360 9.725 7.846 1.00 0.00 N ATOM 0 H GLN A 63 -4.671 9.138 2.150 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.215 7.299 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.596 9.203 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.938 10.330 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.901 8.210 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.775 9.545 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.019 8.879 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.106 10.271 8.276 1.00 0.00 H new ATOM 933 N LYS A 64 -7.665 9.228 3.329 1.00 0.00 N ATOM 934 CA LYS A 64 -9.082 9.514 3.522 1.00 0.00 C ATOM 935 C LYS A 64 -9.947 8.430 2.887 1.00 0.00 C ATOM 936 O LYS A 64 -11.109 8.256 3.255 1.00 0.00 O ATOM 937 CB LYS A 64 -9.434 10.878 2.925 1.00 0.00 C ATOM 938 CG LYS A 64 -9.242 10.951 1.420 1.00 0.00 C ATOM 939 CD LYS A 64 -10.505 10.549 0.677 1.00 0.00 C ATOM 940 CE LYS A 64 -11.575 11.626 0.773 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.585 11.504 -0.314 1.00 0.00 N ATOM 0 H LYS A 64 -7.270 9.615 2.472 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.281 9.531 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.472 11.112 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.818 11.643 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.959 11.965 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.421 10.297 1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.268 10.362 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.889 9.616 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.073 11.558 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.106 12.609 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.296 12.256 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.114 11.594 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.051 10.576 -0.252 1.00 0.00 H new ATOM 955 N ARG A 65 -9.372 7.703 1.935 1.00 0.00 N ATOM 956 CA ARG A 65 -10.092 6.635 1.250 1.00 0.00 C ATOM 957 C ARG A 65 -9.835 5.289 1.921 1.00 0.00 C ATOM 958 O ARG A 65 -10.760 4.644 2.413 1.00 0.00 O ATOM 959 CB ARG A 65 -9.674 6.572 -0.221 1.00 0.00 C ATOM 960 CG ARG A 65 -9.874 5.204 -0.852 1.00 0.00 C ATOM 961 CD ARG A 65 -11.342 4.810 -0.873 1.00 0.00 C ATOM 962 NE ARG A 65 -11.617 3.777 -1.869 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.835 3.492 -2.315 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.886 4.160 -1.858 1.00 0.00 N ATOM 965 NH2 ARG A 65 -13.005 2.539 -3.222 1.00 0.00 N ATOM 0 H ARG A 65 -8.411 7.833 1.620 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.158 6.853 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.245 7.310 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.624 6.851 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.483 5.211 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.304 4.459 -0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.635 4.450 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.950 5.689 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.830 3.246 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.760 4.895 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.820 3.939 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.200 2.024 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.941 2.321 -3.564 1.00 0.00 H new ATOM 979 N MET A 66 -8.573 4.872 1.935 1.00 0.00 N ATOM 980 CA MET A 66 -8.195 3.603 2.546 1.00 0.00 C ATOM 981 C MET A 66 -8.796 3.471 3.942 1.00 0.00 C ATOM 982 O MET A 66 -9.290 2.408 4.316 1.00 0.00 O ATOM 983 CB MET A 66 -6.672 3.482 2.620 1.00 0.00 C ATOM 984 CG MET A 66 -6.019 3.193 1.278 1.00 0.00 C ATOM 985 SD MET A 66 -4.321 2.610 1.442 1.00 0.00 S ATOM 986 CE MET A 66 -3.416 4.023 0.816 1.00 0.00 C ATOM 0 H MET A 66 -7.796 5.394 1.531 1.00 0.00 H new ATOM 0 HA MET A 66 -8.586 2.798 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.261 4.408 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.412 2.687 3.320 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.606 2.444 0.747 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.031 4.098 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.377 3.961 1.138 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.459 4.029 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.861 4.940 1.201 1.00 0.00 H new ATOM 996 N GLU A 67 -8.749 4.558 4.706 1.00 0.00 N ATOM 997 CA GLU A 67 -9.288 4.561 6.061 1.00 0.00 C ATOM 998 C GLU A 67 -10.669 3.915 6.099 1.00 0.00 C ATOM 999 O GLU A 67 -11.022 3.236 7.062 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.367 5.992 6.599 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.220 6.916 5.746 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.859 8.029 6.553 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -10.964 7.883 7.789 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.255 9.048 5.948 1.00 0.00 O ATOM 0 H GLU A 67 -8.344 5.446 4.410 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.617 3.979 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.771 5.969 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.359 6.402 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.603 7.351 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.000 6.334 5.255 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.447 4.132 5.043 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.790 3.572 4.955 1.00 0.00 C ATOM 1013 C ASN A 68 -12.783 2.259 4.177 1.00 0.00 C ATOM 1014 O ASN A 68 -13.716 1.463 4.275 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.738 4.569 4.286 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.321 5.564 5.271 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -15.488 5.941 5.172 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -13.507 5.994 6.228 1.00 0.00 N ATOM 0 H ASN A 68 -11.170 4.692 4.237 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.140 3.371 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.202 5.107 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.548 4.026 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.842 6.664 6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.546 5.654 6.271 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.723 2.042 3.405 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.595 0.826 2.610 1.00 0.00 C ATOM 1027 C GLU A 69 -11.553 -0.408 3.506 1.00 0.00 C ATOM 1028 O GLU A 69 -11.482 -0.297 4.730 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.333 0.885 1.746 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.398 1.931 0.645 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.491 1.646 -0.366 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.653 2.023 -0.105 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.186 1.046 -1.418 1.00 0.00 O ATOM 0 H GLU A 69 -10.942 2.691 3.313 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.468 0.754 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.475 1.095 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.164 -0.094 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.567 2.912 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.437 1.974 0.133 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.597 -1.583 2.888 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.564 -2.839 3.628 1.00 0.00 C ATOM 1042 C ASP A 70 -10.598 -3.826 2.981 1.00 0.00 C ATOM 1043 O ASP A 70 -10.960 -4.546 2.051 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.964 -3.450 3.701 1.00 0.00 C ATOM 1045 CG ASP A 70 -12.963 -4.826 4.338 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -12.103 -5.652 3.966 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -13.822 -5.076 5.209 1.00 0.00 O ATOM 0 H ASP A 70 -11.656 -1.692 1.876 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.216 -2.627 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.616 -2.789 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.380 -3.518 2.696 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.365 -3.853 3.479 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.346 -4.751 2.950 1.00 0.00 C ATOM 1054 C VAL A 71 -8.913 -6.147 2.714 1.00 0.00 C ATOM 1055 O VAL A 71 -8.867 -6.667 1.600 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.139 -4.852 3.900 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.602 -5.101 5.328 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.190 -5.949 3.441 1.00 0.00 C ATOM 0 H VAL A 71 -9.048 -3.263 4.248 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.016 -4.331 2.000 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.601 -3.904 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.735 -5.169 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.239 -4.278 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.164 -6.034 5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.343 -6.006 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.715 -6.904 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.832 -5.723 2.437 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.447 -6.749 3.772 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.022 -8.085 3.681 1.00 0.00 C ATOM 1070 C PHE A 72 -11.032 -8.320 4.801 1.00 0.00 C ATOM 1071 O PHE A 72 -10.660 -8.500 5.960 1.00 0.00 O ATOM 1072 CB PHE A 72 -8.919 -9.144 3.744 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.356 -9.504 2.399 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.181 -9.981 1.393 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.002 -9.366 2.141 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -8.667 -10.313 0.154 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.482 -9.696 0.904 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.315 -10.171 -0.090 1.00 0.00 C ATOM 0 H PHE A 72 -9.493 -6.332 4.702 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.540 -8.166 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.113 -8.780 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.316 -10.043 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.239 -10.095 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.346 -8.996 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.321 -10.683 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.425 -9.583 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.910 -10.431 -1.057 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.313 -8.315 4.445 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.358 -8.527 5.430 1.00 0.00 C ATOM 1090 C GLY A 73 -13.088 -7.794 6.729 1.00 0.00 C ATOM 1091 O GLY A 73 -13.571 -8.193 7.787 1.00 0.00 O ATOM 0 H GLY A 73 -12.646 -8.168 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.312 -8.195 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.452 -9.594 5.631 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.311 -6.718 6.649 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.975 -5.928 7.828 1.00 0.00 C ATOM 1097 C ASN A 74 -11.692 -4.478 7.449 1.00 0.00 C ATOM 1098 O ASN A 74 -11.344 -4.181 6.306 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.760 -6.527 8.539 1.00 0.00 C ATOM 1100 CG ASN A 74 -10.033 -5.510 9.398 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.615 -4.925 10.312 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.756 -5.296 9.108 1.00 0.00 N ATOM 0 H ASN A 74 -11.903 -6.374 5.780 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.830 -5.948 8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.082 -7.361 9.162 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.071 -6.931 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.215 -4.623 9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.315 -5.804 8.341 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.845 -3.579 8.416 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.607 -2.159 8.184 1.00 0.00 C ATOM 1111 C ARG A 75 -10.190 -1.771 8.597 1.00 0.00 C ATOM 1112 O ARG A 75 -9.728 -2.132 9.680 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.624 -1.317 8.956 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.530 0.171 8.662 1.00 0.00 C ATOM 1115 CD ARG A 75 -11.569 0.867 9.613 1.00 0.00 C ATOM 1116 NE ARG A 75 -11.891 2.282 9.779 1.00 0.00 N ATOM 1117 CZ ARG A 75 -12.893 2.724 10.531 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -13.666 1.867 11.183 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -13.123 4.027 10.632 1.00 0.00 N ATOM 0 H ARG A 75 -12.133 -3.809 9.367 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.722 -1.966 7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.629 -1.664 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.480 -1.478 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.198 0.320 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.518 0.623 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.598 0.372 10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.551 0.769 9.236 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.315 2.968 9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.492 0.865 11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.434 2.210 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.530 4.690 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.892 4.366 11.210 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.507 -1.035 7.727 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.144 -0.597 8.002 1.00 0.00 C ATOM 1135 C ILE A 76 -8.102 0.888 8.346 1.00 0.00 C ATOM 1136 O ILE A 76 -8.989 1.650 7.960 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.215 -0.862 6.803 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.760 -0.179 5.547 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -7.059 -2.358 6.574 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.818 -0.247 4.366 1.00 0.00 C ATOM 0 H ILE A 76 -9.875 -0.729 6.826 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.793 -1.175 8.857 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.233 -0.444 7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.707 -0.643 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.971 0.866 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.400 -2.529 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.631 -2.820 7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.035 -2.799 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.269 0.257 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.878 0.243 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.627 -1.290 4.113 1.00 0.00 H new ATOM 1152 N ILE A 77 -7.065 1.293 9.071 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.905 2.688 9.463 1.00 0.00 C ATOM 1154 C ILE A 77 -5.633 3.283 8.871 1.00 0.00 C ATOM 1155 O ILE A 77 -4.625 2.593 8.715 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.865 2.840 10.995 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -8.111 2.213 11.625 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.753 4.309 11.378 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -8.074 2.184 13.137 1.00 0.00 C ATOM 0 H ILE A 77 -6.323 0.675 9.399 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.769 3.226 9.075 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.987 2.317 11.375 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.991 2.769 11.302 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.223 1.195 11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.726 4.401 12.464 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.839 4.727 10.955 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.614 4.853 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.988 1.727 13.515 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.214 1.603 13.469 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.993 3.202 13.519 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.686 4.571 8.543 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.537 5.261 7.970 1.00 0.00 C ATOM 1173 C VAL A 78 -4.252 6.563 8.711 1.00 0.00 C ATOM 1174 O VAL A 78 -5.153 7.371 8.935 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.755 5.571 6.477 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.485 6.135 5.857 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.211 4.323 5.736 1.00 0.00 C ATOM 0 H VAL A 78 -6.512 5.157 8.665 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.683 4.592 8.074 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.538 6.324 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.659 6.348 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.206 7.055 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.679 5.407 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.360 4.560 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.452 3.547 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.148 3.967 6.164 1.00 0.00 H new ATOM 1187 N SER A 79 -2.993 6.759 9.090 1.00 0.00 N ATOM 1188 CA SER A 79 -2.590 7.961 9.809 1.00 0.00 C ATOM 1189 C SER A 79 -1.235 8.461 9.316 1.00 0.00 C ATOM 1190 O SER A 79 -0.380 7.673 8.912 1.00 0.00 O ATOM 1191 CB SER A 79 -2.527 7.685 11.313 1.00 0.00 C ATOM 1192 OG SER A 79 -2.846 8.847 12.058 1.00 0.00 O ATOM 0 H SER A 79 -2.235 6.101 8.911 1.00 0.00 H new ATOM 0 HA SER A 79 -3.335 8.734 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.220 6.884 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.528 7.340 11.581 1.00 0.00 H new ATOM 0 HG SER A 79 -2.800 8.644 13.016 1.00 0.00 H new ATOM 1198 N PHE A 80 -1.047 9.776 9.353 1.00 0.00 N ATOM 1199 CA PHE A 80 0.203 10.382 8.909 1.00 0.00 C ATOM 1200 C PHE A 80 1.283 10.246 9.978 1.00 0.00 C ATOM 1201 O PHE A 80 2.477 10.290 9.680 1.00 0.00 O ATOM 1202 CB PHE A 80 -0.014 11.859 8.571 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.597 12.082 7.205 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.766 11.444 6.823 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.025 12.930 6.302 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.303 11.647 5.566 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.509 13.138 5.044 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.675 12.496 4.676 1.00 0.00 C ATOM 0 H PHE A 80 -1.744 10.442 9.686 1.00 0.00 H new ATOM 0 HA PHE A 80 0.535 9.857 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.676 12.301 9.316 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.939 12.383 8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.263 10.781 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.937 13.434 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.214 11.142 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.015 13.802 4.350 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.095 12.658 3.694 1.00 0.00 H new ATOM 1218 N THR A 81 0.855 10.082 11.226 1.00 0.00 N ATOM 1219 CA THR A 81 1.783 9.941 12.340 1.00 0.00 C ATOM 1220 C THR A 81 1.713 8.542 12.941 1.00 0.00 C ATOM 1221 O THR A 81 0.728 7.821 12.783 1.00 0.00 O ATOM 1222 CB THR A 81 1.497 10.977 13.444 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.089 11.219 13.535 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.224 12.283 13.161 1.00 0.00 C ATOM 0 H THR A 81 -0.129 10.044 11.490 1.00 0.00 H new ATOM 0 HA THR A 81 2.783 10.112 11.942 1.00 0.00 H new ATOM 0 HB THR A 81 1.858 10.576 14.391 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.085 11.877 14.240 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.007 12.999 13.954 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.298 12.100 13.121 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.889 12.687 12.206 1.00 0.00 H new ATOM 1232 N PRO A 82 2.782 8.147 13.649 1.00 0.00 N ATOM 1233 CA PRO A 82 2.864 6.831 14.290 1.00 0.00 C ATOM 1234 C PRO A 82 1.910 6.702 15.473 1.00 0.00 C ATOM 1235 O PRO A 82 1.640 7.676 16.176 1.00 0.00 O ATOM 1236 CB PRO A 82 4.318 6.759 14.765 1.00 0.00 C ATOM 1237 CG PRO A 82 4.733 8.180 14.933 1.00 0.00 C ATOM 1238 CD PRO A 82 3.991 8.955 13.879 1.00 0.00 C ATOM 0 HA PRO A 82 2.583 6.027 13.609 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.401 6.209 15.702 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.947 6.246 14.037 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.486 8.543 15.931 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.811 8.289 14.811 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.744 9.961 14.219 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.581 9.063 12.969 1.00 0.00 H new ATOM 1246 N LYS A 83 1.403 5.493 15.688 1.00 0.00 N ATOM 1247 CA LYS A 83 0.480 5.234 16.786 1.00 0.00 C ATOM 1248 C LYS A 83 1.143 4.384 17.865 1.00 0.00 C ATOM 1249 O LYS A 83 0.493 3.560 18.507 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.777 4.531 16.269 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.513 5.313 15.195 1.00 0.00 C ATOM 1252 CD LYS A 83 -3.006 5.036 15.228 1.00 0.00 C ATOM 1253 CE LYS A 83 -3.318 3.609 14.804 1.00 0.00 C ATOM 1254 NZ LYS A 83 -3.320 2.674 15.963 1.00 0.00 N ATOM 0 H LYS A 83 1.616 4.676 15.115 1.00 0.00 H new ATOM 0 HA LYS A 83 0.199 6.192 17.224 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.499 3.555 15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.453 4.353 17.105 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.337 6.380 15.335 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.115 5.050 14.215 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.387 5.209 16.234 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.521 5.734 14.568 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.291 3.581 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.581 3.278 14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.090 1.984 15.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.410 2.173 16.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.461 3.211 16.842 1.00 0.00 H new