USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 739 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 25 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.99) USER MOD Set 1.2: A 87 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0675) USER MOD Set 3.2: A 66 GLN : amide:sc= -3.75! K(o=-3.8!,f=-0.028) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.681 USER MOD Single : A 9 HIS : no HD1:sc= -0.335 K(o=-0.33,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= -0.633 K(o=-0.63,f=-0.078) USER MOD Single : A 17 SER OG : rot -70:sc= -0.995 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 25:sc= 0.00502 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= -2.96! (180deg=-5.31!) USER MOD Single : A 54 GLN : amide:sc= -0.261 K(o=-0.26,f=-1) USER MOD Single : A 56 ASN : amide:sc=-0.00666 K(o=-0.0067,f=-0.85) USER MOD Single : A 64 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-3.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -116:sc= -0.578 (180deg=-3.74!) USER MOD Single : A 71 TYR OH : rot 180:sc= -1.42! USER MOD Single : A 74 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -7.4! C(o=-7.4!,f=-6.4!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 140:sc= -0.449 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 93 MET CE :methyl -159:sc= -0.605 (180deg=-0.844) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 10.302 10.865 -4.404 1.00 0.00 N ATOM 66 CA PRO A 5 10.336 9.381 -4.584 1.00 0.00 C ATOM 67 C PRO A 5 9.433 8.644 -3.585 1.00 0.00 C ATOM 68 O PRO A 5 9.045 9.212 -2.563 1.00 0.00 O ATOM 69 CB PRO A 5 11.813 9.038 -4.354 1.00 0.00 C ATOM 70 CG PRO A 5 12.565 10.249 -4.810 1.00 0.00 C ATOM 71 CD PRO A 5 11.645 11.457 -4.571 1.00 0.00 C ATOM 0 HA PRO A 5 9.962 9.075 -5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.010 8.823 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.106 8.154 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.497 10.357 -4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.829 10.166 -5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.946 12.017 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.672 12.150 -5.412 1.00 0.00 H new ATOM 79 N PRO A 6 9.097 7.396 -3.848 1.00 0.00 N ATOM 80 CA PRO A 6 8.235 6.580 -2.940 1.00 0.00 C ATOM 81 C PRO A 6 8.524 6.815 -1.460 1.00 0.00 C ATOM 82 O PRO A 6 9.515 7.443 -1.090 1.00 0.00 O ATOM 83 CB PRO A 6 8.561 5.149 -3.362 1.00 0.00 C ATOM 84 CG PRO A 6 8.791 5.255 -4.828 1.00 0.00 C ATOM 85 CD PRO A 6 9.479 6.612 -5.046 1.00 0.00 C ATOM 0 HA PRO A 6 7.179 6.835 -3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.443 4.771 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.741 4.468 -3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.417 4.437 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.851 5.201 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.561 6.504 -5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.138 7.091 -5.964 1.00 0.00 H new ATOM 93 N SER A 7 7.613 6.330 -0.623 1.00 0.00 N ATOM 94 CA SER A 7 7.721 6.510 0.820 1.00 0.00 C ATOM 95 C SER A 7 6.935 5.412 1.536 1.00 0.00 C ATOM 96 O SER A 7 6.218 5.661 2.504 1.00 0.00 O ATOM 97 CB SER A 7 7.173 7.901 1.166 1.00 0.00 C ATOM 98 OG SER A 7 8.122 8.599 1.961 1.00 0.00 O ATOM 0 H SER A 7 6.789 5.808 -0.921 1.00 0.00 H new ATOM 0 HA SER A 7 8.759 6.439 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.966 8.460 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.230 7.809 1.704 1.00 0.00 H new ATOM 0 HG SER A 7 7.774 9.488 2.181 1.00 0.00 H new ATOM 104 N ILE A 8 7.049 4.199 1.015 1.00 0.00 N ATOM 105 CA ILE A 8 6.325 3.055 1.553 1.00 0.00 C ATOM 106 C ILE A 8 7.293 2.031 2.126 1.00 0.00 C ATOM 107 O ILE A 8 8.196 1.553 1.437 1.00 0.00 O ATOM 108 CB ILE A 8 5.525 2.419 0.413 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.683 3.498 -0.320 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.626 1.307 0.971 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.333 3.723 0.349 1.00 0.00 C ATOM 0 H ILE A 8 7.641 3.980 0.214 1.00 0.00 H new ATOM 0 HA ILE A 8 5.662 3.384 2.353 1.00 0.00 H new ATOM 0 HB ILE A 8 6.213 1.980 -0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.237 4.436 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.528 3.195 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.058 0.856 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.243 0.546 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.938 1.729 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.779 4.486 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.767 2.792 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.487 4.053 1.377 1.00 0.00 H new ATOM 123 N HIS A 9 7.086 1.698 3.388 1.00 0.00 N ATOM 124 CA HIS A 9 7.918 0.717 4.083 1.00 0.00 C ATOM 125 C HIS A 9 7.068 -0.486 4.470 1.00 0.00 C ATOM 126 O HIS A 9 6.096 -0.351 5.210 1.00 0.00 O ATOM 127 CB HIS A 9 8.515 1.349 5.339 1.00 0.00 C ATOM 128 CG HIS A 9 9.584 2.333 4.952 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.954 2.545 3.634 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.380 3.162 5.703 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.934 3.470 3.631 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.232 3.878 4.869 1.00 0.00 N ATOM 0 H HIS A 9 6.342 2.095 3.962 1.00 0.00 H new ATOM 0 HA HIS A 9 8.725 0.394 3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.735 1.851 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.935 0.576 5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.349 3.246 6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.419 3.837 2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.933 4.566 5.143 1.00 0.00 H new ATOM 140 N GLY A 10 7.425 -1.663 3.948 1.00 0.00 N ATOM 141 CA GLY A 10 6.661 -2.881 4.232 1.00 0.00 C ATOM 142 C GLY A 10 7.344 -3.769 5.259 1.00 0.00 C ATOM 143 O GLY A 10 8.563 -3.937 5.248 1.00 0.00 O ATOM 0 H GLY A 10 8.228 -1.798 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.670 -2.608 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.520 -3.442 3.308 1.00 0.00 H new ATOM 147 N GLN A 11 6.526 -4.352 6.132 1.00 0.00 N ATOM 148 CA GLN A 11 7.009 -5.258 7.174 1.00 0.00 C ATOM 149 C GLN A 11 5.982 -6.377 7.374 1.00 0.00 C ATOM 150 O GLN A 11 4.784 -6.140 7.235 1.00 0.00 O ATOM 151 CB GLN A 11 7.191 -4.497 8.497 1.00 0.00 C ATOM 152 CG GLN A 11 8.465 -3.643 8.453 1.00 0.00 C ATOM 153 CD GLN A 11 9.693 -4.501 8.746 1.00 0.00 C ATOM 154 OE1 GLN A 11 10.708 -4.389 8.058 1.00 0.00 O ATOM 155 NE2 GLN A 11 9.663 -5.354 9.733 1.00 0.00 N ATOM 0 H GLN A 11 5.516 -4.212 6.139 1.00 0.00 H new ATOM 0 HA GLN A 11 7.969 -5.676 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.325 -3.860 8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.248 -5.203 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.565 -3.178 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.395 -2.836 9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.822 -5.446 10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.481 -5.929 9.935 1.00 0.00 H new ATOM 164 N PRO A 12 6.402 -7.580 7.696 1.00 0.00 N ATOM 165 CA PRO A 12 5.455 -8.713 7.910 1.00 0.00 C ATOM 166 C PRO A 12 4.786 -8.631 9.283 1.00 0.00 C ATOM 167 O PRO A 12 5.207 -9.307 10.223 1.00 0.00 O ATOM 168 CB PRO A 12 6.365 -9.942 7.814 1.00 0.00 C ATOM 169 CG PRO A 12 7.679 -9.467 8.342 1.00 0.00 C ATOM 170 CD PRO A 12 7.805 -8.005 7.896 1.00 0.00 C ATOM 0 HA PRO A 12 4.634 -8.724 7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.976 -10.773 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.452 -10.294 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.717 -9.549 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.499 -10.068 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.304 -7.397 8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.386 -7.914 6.978 1.00 0.00 H new ATOM 178 N SER A 13 3.757 -7.797 9.401 1.00 0.00 N ATOM 179 CA SER A 13 3.063 -7.642 10.677 1.00 0.00 C ATOM 180 C SER A 13 2.732 -9.003 11.278 1.00 0.00 C ATOM 181 O SER A 13 3.480 -9.524 12.107 1.00 0.00 O ATOM 182 CB SER A 13 1.773 -6.845 10.486 1.00 0.00 C ATOM 183 OG SER A 13 1.063 -6.810 11.716 1.00 0.00 O ATOM 0 H SER A 13 3.389 -7.225 8.641 1.00 0.00 H new ATOM 0 HA SER A 13 3.723 -7.104 11.357 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.002 -5.832 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.159 -7.303 9.710 1.00 0.00 H new ATOM 0 HG SER A 13 0.235 -6.299 11.601 1.00 0.00 H new ATOM 189 N SER A 14 1.608 -9.575 10.854 1.00 0.00 N ATOM 190 CA SER A 14 1.179 -10.883 11.351 1.00 0.00 C ATOM 191 C SER A 14 0.610 -11.715 10.209 1.00 0.00 C ATOM 192 O SER A 14 -0.148 -11.212 9.381 1.00 0.00 O ATOM 193 CB SER A 14 0.110 -10.708 12.428 1.00 0.00 C ATOM 194 OG SER A 14 0.658 -9.996 13.529 1.00 0.00 O ATOM 0 H SER A 14 0.978 -9.156 10.170 1.00 0.00 H new ATOM 0 HA SER A 14 2.043 -11.394 11.776 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.745 -10.168 12.022 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.254 -11.682 12.756 1.00 0.00 H new ATOM 0 HG SER A 14 -0.028 -9.882 14.219 1.00 0.00 H new ATOM 200 N GLY A 15 0.977 -12.990 10.171 1.00 0.00 N ATOM 201 CA GLY A 15 0.490 -13.874 9.121 1.00 0.00 C ATOM 202 C GLY A 15 1.004 -13.424 7.759 1.00 0.00 C ATOM 203 O GLY A 15 2.199 -13.185 7.585 1.00 0.00 O ATOM 0 H GLY A 15 1.602 -13.430 10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.815 -14.896 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.600 -13.880 9.120 1.00 0.00 H new ATOM 207 N LYS A 16 0.094 -13.319 6.793 1.00 0.00 N ATOM 208 CA LYS A 16 0.469 -12.906 5.440 1.00 0.00 C ATOM 209 C LYS A 16 0.263 -11.400 5.263 1.00 0.00 C ATOM 210 O LYS A 16 0.575 -10.840 4.212 1.00 0.00 O ATOM 211 CB LYS A 16 -0.370 -13.680 4.402 1.00 0.00 C ATOM 212 CG LYS A 16 -0.832 -15.018 4.989 1.00 0.00 C ATOM 213 CD LYS A 16 -1.317 -15.943 3.867 1.00 0.00 C ATOM 214 CE LYS A 16 -2.580 -15.369 3.228 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.226 -16.413 2.384 1.00 0.00 N ATOM 0 H LYS A 16 -0.900 -13.512 6.918 1.00 0.00 H new ATOM 0 HA LYS A 16 1.524 -13.132 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.235 -13.086 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.220 -13.853 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.012 -15.489 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.635 -14.852 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.537 -16.055 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.520 -16.937 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.271 -15.032 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.331 -14.498 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.995 -15.985 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.521 -16.823 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.613 -17.161 2.993 1.00 0.00 H new ATOM 229 N SER A 17 -0.278 -10.758 6.289 1.00 0.00 N ATOM 230 CA SER A 17 -0.536 -9.324 6.231 1.00 0.00 C ATOM 231 C SER A 17 0.770 -8.533 6.221 1.00 0.00 C ATOM 232 O SER A 17 1.742 -8.919 6.870 1.00 0.00 O ATOM 233 CB SER A 17 -1.380 -8.909 7.431 1.00 0.00 C ATOM 234 OG SER A 17 -1.954 -7.634 7.185 1.00 0.00 O ATOM 0 H SER A 17 -0.546 -11.203 7.167 1.00 0.00 H new ATOM 0 HA SER A 17 -1.074 -9.107 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.164 -9.645 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.763 -8.875 8.329 1.00 0.00 H new ATOM 0 HG SER A 17 -1.252 -6.950 7.203 1.00 0.00 H new ATOM 240 N PHE A 18 0.789 -7.420 5.476 1.00 0.00 N ATOM 241 CA PHE A 18 1.989 -6.576 5.381 1.00 0.00 C ATOM 242 C PHE A 18 1.651 -5.130 5.756 1.00 0.00 C ATOM 243 O PHE A 18 0.723 -4.537 5.208 1.00 0.00 O ATOM 244 CB PHE A 18 2.547 -6.640 3.930 1.00 0.00 C ATOM 245 CG PHE A 18 4.024 -7.005 3.928 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.429 -8.292 4.303 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.984 -6.059 3.544 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.790 -8.625 4.293 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.339 -6.395 3.536 1.00 0.00 C ATOM 250 CZ PHE A 18 6.742 -7.672 3.909 1.00 0.00 C ATOM 0 H PHE A 18 -0.007 -7.084 4.933 1.00 0.00 H new ATOM 0 HA PHE A 18 2.745 -6.943 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.986 -7.376 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.406 -5.677 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.694 -9.026 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.674 -5.066 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.105 -9.617 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.075 -5.662 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.791 -7.930 3.903 1.00 0.00 H new ATOM 260 N LYS A 19 2.425 -4.565 6.680 1.00 0.00 N ATOM 261 CA LYS A 19 2.211 -3.183 7.103 1.00 0.00 C ATOM 262 C LYS A 19 2.992 -2.240 6.197 1.00 0.00 C ATOM 263 O LYS A 19 4.206 -2.107 6.336 1.00 0.00 O ATOM 264 CB LYS A 19 2.687 -2.985 8.548 1.00 0.00 C ATOM 265 CG LYS A 19 2.342 -1.548 9.037 1.00 0.00 C ATOM 266 CD LYS A 19 3.521 -0.958 9.818 1.00 0.00 C ATOM 267 CE LYS A 19 3.201 0.489 10.200 1.00 0.00 C ATOM 268 NZ LYS A 19 4.369 1.083 10.910 1.00 0.00 N ATOM 0 H LYS A 19 3.199 -5.038 7.147 1.00 0.00 H new ATOM 0 HA LYS A 19 1.145 -2.966 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.214 -3.721 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.763 -3.149 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.107 -0.912 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.454 -1.574 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.711 -1.549 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.427 -0.995 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.970 1.070 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.318 0.522 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.153 2.067 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.569 0.533 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.201 1.065 10.286 1.00 0.00 H new ATOM 282 N LEU A 20 2.292 -1.575 5.280 1.00 0.00 N ATOM 283 CA LEU A 20 2.941 -0.632 4.367 1.00 0.00 C ATOM 284 C LEU A 20 2.740 0.786 4.890 1.00 0.00 C ATOM 285 O LEU A 20 1.733 1.430 4.597 1.00 0.00 O ATOM 286 CB LEU A 20 2.359 -0.748 2.944 1.00 0.00 C ATOM 287 CG LEU A 20 2.072 -2.218 2.583 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.112 -2.275 1.399 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.376 -2.909 2.192 1.00 0.00 C ATOM 0 H LEU A 20 1.285 -1.669 5.149 1.00 0.00 H new ATOM 0 HA LEU A 20 4.004 -0.867 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.440 -0.167 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.060 -0.323 2.225 1.00 0.00 H new ATOM 0 HG LEU A 20 1.629 -2.719 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.910 -3.315 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.179 -1.778 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.561 -1.773 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.174 -3.949 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.813 -2.402 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.074 -2.870 3.029 1.00 0.00 H new ATOM 301 N SER A 21 3.693 1.257 5.685 1.00 0.00 N ATOM 302 CA SER A 21 3.601 2.586 6.268 1.00 0.00 C ATOM 303 C SER A 21 3.694 3.670 5.203 1.00 0.00 C ATOM 304 O SER A 21 4.670 3.736 4.457 1.00 0.00 O ATOM 305 CB SER A 21 4.733 2.789 7.276 1.00 0.00 C ATOM 306 OG SER A 21 4.576 4.053 7.904 1.00 0.00 O ATOM 0 H SER A 21 4.534 0.739 5.939 1.00 0.00 H new ATOM 0 HA SER A 21 2.633 2.663 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.719 1.994 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.698 2.737 6.773 1.00 0.00 H new ATOM 0 HG SER A 21 3.634 4.320 7.871 1.00 0.00 H new ATOM 312 N ILE A 22 2.693 4.551 5.162 1.00 0.00 N ATOM 313 CA ILE A 22 2.712 5.653 4.210 1.00 0.00 C ATOM 314 C ILE A 22 3.479 6.797 4.871 1.00 0.00 C ATOM 315 O ILE A 22 3.041 7.313 5.899 1.00 0.00 O ATOM 316 CB ILE A 22 1.274 6.134 3.878 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.248 5.001 4.045 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.213 6.640 2.435 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.489 3.873 3.043 1.00 0.00 C ATOM 0 H ILE A 22 1.873 4.522 5.768 1.00 0.00 H new ATOM 0 HA ILE A 22 3.179 5.331 3.279 1.00 0.00 H new ATOM 0 HB ILE A 22 1.028 6.937 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.303 4.606 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.758 5.398 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.201 6.976 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.907 7.471 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.488 5.834 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.255 3.090 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.408 4.264 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.486 3.459 3.194 1.00 0.00 H new ATOM 331 N THR A 23 4.628 7.185 4.317 1.00 0.00 N ATOM 332 CA THR A 23 5.409 8.263 4.927 1.00 0.00 C ATOM 333 C THR A 23 5.080 9.596 4.271 1.00 0.00 C ATOM 334 O THR A 23 5.258 9.775 3.072 1.00 0.00 O ATOM 335 CB THR A 23 6.906 7.946 4.819 1.00 0.00 C ATOM 336 OG1 THR A 23 7.214 6.868 5.693 1.00 0.00 O ATOM 337 CG2 THR A 23 7.738 9.171 5.207 1.00 0.00 C ATOM 0 H THR A 23 5.031 6.783 3.471 1.00 0.00 H new ATOM 0 HA THR A 23 5.149 8.340 5.983 1.00 0.00 H new ATOM 0 HB THR A 23 7.142 7.674 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.169 6.658 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.798 8.931 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.501 9.999 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.508 9.457 6.234 1.00 0.00 H new ATOM 345 N LYS A 24 4.577 10.517 5.084 1.00 0.00 N ATOM 346 CA LYS A 24 4.186 11.841 4.624 1.00 0.00 C ATOM 347 C LYS A 24 5.140 12.399 3.577 1.00 0.00 C ATOM 348 O LYS A 24 6.238 12.855 3.896 1.00 0.00 O ATOM 349 CB LYS A 24 4.136 12.793 5.822 1.00 0.00 C ATOM 350 CG LYS A 24 5.519 12.852 6.509 1.00 0.00 C ATOM 351 CD LYS A 24 5.350 13.064 8.024 1.00 0.00 C ATOM 352 CE LYS A 24 5.122 11.713 8.716 1.00 0.00 C ATOM 353 NZ LYS A 24 5.076 11.906 10.192 1.00 0.00 N ATOM 0 H LYS A 24 4.429 10.365 6.082 1.00 0.00 H new ATOM 0 HA LYS A 24 3.205 11.752 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.842 13.790 5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.382 12.456 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.066 11.928 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.110 13.663 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.237 13.548 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.507 13.728 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.189 11.268 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.922 11.020 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.921 10.989 10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.977 12.312 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.298 12.552 10.434 1.00 0.00 H new ATOM 367 N GLN A 25 4.681 12.405 2.330 1.00 0.00 N ATOM 368 CA GLN A 25 5.461 12.960 1.224 1.00 0.00 C ATOM 369 C GLN A 25 5.032 14.404 1.001 1.00 0.00 C ATOM 370 O GLN A 25 3.874 14.748 1.235 1.00 0.00 O ATOM 371 CB GLN A 25 5.216 12.170 -0.069 1.00 0.00 C ATOM 372 CG GLN A 25 5.823 10.771 0.032 1.00 0.00 C ATOM 373 CD GLN A 25 5.574 10.010 -1.268 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.430 9.690 -1.591 1.00 0.00 O ATOM 375 NE2 GLN A 25 6.582 9.709 -2.040 1.00 0.00 N ATOM 0 H GLN A 25 3.772 12.032 2.057 1.00 0.00 H new ATOM 0 HA GLN A 25 6.520 12.901 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.145 12.095 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.653 12.702 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.894 10.841 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.383 10.232 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.529 9.975 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.423 9.207 -2.914 1.00 0.00 H new ATOM 384 N ASP A 26 5.951 15.250 0.550 1.00 0.00 N ATOM 385 CA ASP A 26 5.607 16.646 0.311 1.00 0.00 C ATOM 386 C ASP A 26 4.408 16.722 -0.628 1.00 0.00 C ATOM 387 O ASP A 26 4.562 16.651 -1.847 1.00 0.00 O ATOM 388 CB ASP A 26 6.795 17.385 -0.307 1.00 0.00 C ATOM 389 CG ASP A 26 7.895 17.563 0.733 1.00 0.00 C ATOM 390 OD1 ASP A 26 7.618 17.350 1.901 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.998 17.911 0.346 1.00 0.00 O ATOM 0 H ASP A 26 6.919 15.002 0.346 1.00 0.00 H new ATOM 0 HA ASP A 26 5.356 17.118 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.177 16.826 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.475 18.358 -0.680 1.00 0.00 H new ATOM 396 N ASP A 27 3.214 16.852 -0.056 1.00 0.00 N ATOM 397 CA ASP A 27 2.009 16.920 -0.872 1.00 0.00 C ATOM 398 C ASP A 27 2.187 17.918 -2.009 1.00 0.00 C ATOM 399 O ASP A 27 3.160 18.671 -2.040 1.00 0.00 O ATOM 400 CB ASP A 27 0.791 17.314 -0.024 1.00 0.00 C ATOM 401 CG ASP A 27 -0.473 17.187 -0.868 1.00 0.00 C ATOM 402 OD1 ASP A 27 -0.884 16.065 -1.117 1.00 0.00 O ATOM 403 OD2 ASP A 27 -1.002 18.211 -1.265 1.00 0.00 O ATOM 0 H ASP A 27 3.057 16.911 0.950 1.00 0.00 H new ATOM 0 HA ASP A 27 1.836 15.929 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.722 16.672 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.900 18.337 0.337 1.00 0.00 H new ATOM 408 N GLY A 28 1.248 17.910 -2.949 1.00 0.00 N ATOM 409 CA GLY A 28 1.316 18.807 -4.094 1.00 0.00 C ATOM 410 C GLY A 28 1.288 20.264 -3.649 1.00 0.00 C ATOM 411 O GLY A 28 1.906 21.126 -4.274 1.00 0.00 O ATOM 0 H GLY A 28 0.435 17.295 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.228 18.613 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.479 18.612 -4.764 1.00 0.00 H new ATOM 415 N GLY A 29 0.565 20.532 -2.568 1.00 0.00 N ATOM 416 CA GLY A 29 0.464 21.893 -2.043 1.00 0.00 C ATOM 417 C GLY A 29 -0.760 22.066 -1.147 1.00 0.00 C ATOM 418 O GLY A 29 -1.242 23.184 -0.960 1.00 0.00 O ATOM 0 H GLY A 29 0.043 19.833 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.365 22.132 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.411 22.599 -2.872 1.00 0.00 H new ATOM 422 N ALA A 30 -1.264 20.968 -0.590 1.00 0.00 N ATOM 423 CA ALA A 30 -2.431 21.041 0.281 1.00 0.00 C ATOM 424 C ALA A 30 -2.485 19.799 1.172 1.00 0.00 C ATOM 425 O ALA A 30 -2.011 18.734 0.781 1.00 0.00 O ATOM 426 CB ALA A 30 -3.705 21.141 -0.578 1.00 0.00 C ATOM 0 H ALA A 30 -0.888 20.029 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.362 21.924 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.579 21.196 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.657 22.037 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.783 20.262 -1.217 1.00 0.00 H new ATOM 432 N PRO A 31 -3.055 19.897 2.342 1.00 0.00 N ATOM 433 CA PRO A 31 -3.155 18.730 3.255 1.00 0.00 C ATOM 434 C PRO A 31 -4.078 17.666 2.665 1.00 0.00 C ATOM 435 O PRO A 31 -5.100 17.987 2.057 1.00 0.00 O ATOM 436 CB PRO A 31 -3.717 19.331 4.554 1.00 0.00 C ATOM 437 CG PRO A 31 -4.449 20.560 4.115 1.00 0.00 C ATOM 438 CD PRO A 31 -3.668 21.105 2.919 1.00 0.00 C ATOM 0 HA PRO A 31 -2.204 18.224 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.384 18.632 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.919 19.574 5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.476 20.325 3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.497 21.295 4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.322 21.606 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.916 21.831 3.226 1.00 0.00 H new ATOM 446 N ILE A 32 -3.701 16.407 2.830 1.00 0.00 N ATOM 447 CA ILE A 32 -4.489 15.303 2.288 1.00 0.00 C ATOM 448 C ILE A 32 -5.634 14.917 3.214 1.00 0.00 C ATOM 449 O ILE A 32 -5.429 14.651 4.394 1.00 0.00 O ATOM 450 CB ILE A 32 -3.564 14.098 2.068 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.544 14.429 0.935 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.408 12.862 1.697 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.122 14.062 1.358 1.00 0.00 C ATOM 0 H ILE A 32 -2.860 16.122 3.331 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.930 15.622 1.344 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.013 13.881 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.811 13.884 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.594 15.491 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.751 12.006 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.105 12.641 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.965 13.063 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.429 14.302 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.850 14.627 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.071 12.995 1.575 1.00 0.00 H new ATOM 465 N LEU A 33 -6.835 14.869 2.653 1.00 0.00 N ATOM 466 CA LEU A 33 -8.009 14.480 3.422 1.00 0.00 C ATOM 467 C LEU A 33 -8.013 12.966 3.656 1.00 0.00 C ATOM 468 O LEU A 33 -8.311 12.500 4.757 1.00 0.00 O ATOM 469 CB LEU A 33 -9.288 14.911 2.684 1.00 0.00 C ATOM 470 CG LEU A 33 -9.612 16.372 3.010 1.00 0.00 C ATOM 471 CD1 LEU A 33 -8.398 17.254 2.708 1.00 0.00 C ATOM 472 CD2 LEU A 33 -10.799 16.834 2.160 1.00 0.00 C ATOM 0 H LEU A 33 -7.021 15.093 1.675 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.977 14.979 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.156 14.790 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.120 14.271 2.977 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.863 16.455 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.635 18.292 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.552 16.929 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.141 17.170 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.030 17.874 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.546 16.745 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.667 16.212 2.379 1.00 0.00 H new ATOM 484 N GLU A 34 -7.683 12.207 2.606 1.00 0.00 N ATOM 485 CA GLU A 34 -7.656 10.741 2.693 1.00 0.00 C ATOM 486 C GLU A 34 -6.675 10.145 1.698 1.00 0.00 C ATOM 487 O GLU A 34 -6.274 10.796 0.734 1.00 0.00 O ATOM 488 CB GLU A 34 -9.041 10.149 2.399 1.00 0.00 C ATOM 489 CG GLU A 34 -9.965 10.394 3.577 1.00 0.00 C ATOM 490 CD GLU A 34 -11.321 9.748 3.319 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.428 9.004 2.359 1.00 0.00 O ATOM 492 OE2 GLU A 34 -12.232 10.002 4.090 1.00 0.00 O ATOM 0 H GLU A 34 -7.432 12.580 1.690 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.347 10.494 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.457 10.602 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.956 9.079 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.525 9.984 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.088 11.465 3.737 1.00 0.00 H new ATOM 499 N TYR A 35 -6.322 8.880 1.927 1.00 0.00 N ATOM 500 CA TYR A 35 -5.417 8.161 1.037 1.00 0.00 C ATOM 501 C TYR A 35 -6.173 7.062 0.305 1.00 0.00 C ATOM 502 O TYR A 35 -6.748 6.170 0.927 1.00 0.00 O ATOM 503 CB TYR A 35 -4.267 7.525 1.840 1.00 0.00 C ATOM 504 CG TYR A 35 -3.167 8.536 2.084 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.449 9.696 2.786 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.866 8.291 1.623 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.433 10.630 3.038 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.849 9.215 1.878 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.129 10.385 2.586 1.00 0.00 C ATOM 510 OH TYR A 35 -0.120 11.288 2.847 1.00 0.00 O ATOM 0 H TYR A 35 -6.651 8.333 2.723 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.008 8.871 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.644 7.152 2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.867 6.668 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.452 9.882 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.650 7.388 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.655 11.537 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.154 9.024 1.527 1.00 0.00 H new ATOM 0 HH TYR A 35 0.720 10.960 2.462 1.00 0.00 H new ATOM 520 N ILE A 36 -6.139 7.109 -1.019 1.00 0.00 N ATOM 521 CA ILE A 36 -6.793 6.090 -1.826 1.00 0.00 C ATOM 522 C ILE A 36 -5.757 5.056 -2.223 1.00 0.00 C ATOM 523 O ILE A 36 -4.880 5.321 -3.045 1.00 0.00 O ATOM 524 CB ILE A 36 -7.395 6.724 -3.074 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.419 7.775 -2.648 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.082 5.642 -3.906 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.878 8.571 -3.870 1.00 0.00 C ATOM 0 H ILE A 36 -5.668 7.838 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.593 5.619 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.614 7.195 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.274 7.293 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.981 8.445 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.515 6.091 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.351 4.887 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.871 5.176 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.608 9.320 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.020 9.066 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.333 7.896 -4.594 1.00 0.00 H new ATOM 539 N VAL A 37 -5.852 3.879 -1.618 1.00 0.00 N ATOM 540 CA VAL A 37 -4.908 2.805 -1.886 1.00 0.00 C ATOM 541 C VAL A 37 -5.569 1.719 -2.708 1.00 0.00 C ATOM 542 O VAL A 37 -6.601 1.168 -2.320 1.00 0.00 O ATOM 543 CB VAL A 37 -4.430 2.215 -0.552 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.551 0.985 -0.823 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.640 3.286 0.247 1.00 0.00 C ATOM 0 H VAL A 37 -6.575 3.645 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.061 3.203 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.291 1.909 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.211 0.565 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.129 0.237 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.688 1.279 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.304 2.860 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.776 3.609 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.285 4.142 0.444 1.00 0.00 H new ATOM 555 N LYS A 38 -4.954 1.402 -3.837 1.00 0.00 N ATOM 556 CA LYS A 38 -5.458 0.361 -4.719 1.00 0.00 C ATOM 557 C LYS A 38 -4.372 -0.684 -4.899 1.00 0.00 C ATOM 558 O LYS A 38 -3.211 -0.343 -5.075 1.00 0.00 O ATOM 559 CB LYS A 38 -5.824 0.957 -6.079 1.00 0.00 C ATOM 560 CG LYS A 38 -6.988 1.935 -5.921 1.00 0.00 C ATOM 561 CD LYS A 38 -7.289 2.589 -7.277 1.00 0.00 C ATOM 562 CE LYS A 38 -8.018 1.607 -8.203 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.737 2.370 -9.263 1.00 0.00 N ATOM 0 H LYS A 38 -4.100 1.854 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.349 -0.091 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.962 1.470 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.097 0.162 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.870 1.412 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.739 2.698 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.900 3.479 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.359 2.915 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.305 0.918 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.723 1.005 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.232 1.707 -9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.428 3.010 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.053 2.926 -9.815 1.00 0.00 H new ATOM 577 N TYR A 39 -4.735 -1.958 -4.849 1.00 0.00 N ATOM 578 CA TYR A 39 -3.740 -3.018 -5.000 1.00 0.00 C ATOM 579 C TYR A 39 -4.317 -4.189 -5.780 1.00 0.00 C ATOM 580 O TYR A 39 -5.526 -4.425 -5.758 1.00 0.00 O ATOM 581 CB TYR A 39 -3.281 -3.492 -3.622 1.00 0.00 C ATOM 582 CG TYR A 39 -4.457 -4.031 -2.841 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.338 -3.145 -2.213 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.655 -5.413 -2.742 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.422 -3.639 -1.482 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.744 -5.908 -2.012 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.626 -5.021 -1.382 1.00 0.00 C ATOM 588 OH TYR A 39 -7.698 -5.507 -0.661 1.00 0.00 O ATOM 0 H TYR A 39 -5.692 -2.282 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.888 -2.620 -5.552 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.520 -4.265 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.821 -2.666 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.181 -2.079 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.972 -6.095 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.102 -2.956 -0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.903 -6.973 -1.935 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.696 -6.487 -0.692 1.00 0.00 H new ATOM 598 N ARG A 40 -3.449 -4.926 -6.473 1.00 0.00 N ATOM 599 CA ARG A 40 -3.894 -6.073 -7.261 1.00 0.00 C ATOM 600 C ARG A 40 -2.833 -7.162 -7.315 1.00 0.00 C ATOM 601 O ARG A 40 -1.708 -6.968 -6.870 1.00 0.00 O ATOM 602 CB ARG A 40 -4.223 -5.647 -8.685 1.00 0.00 C ATOM 603 CG ARG A 40 -3.002 -4.987 -9.363 1.00 0.00 C ATOM 604 CD ARG A 40 -3.144 -5.146 -10.874 1.00 0.00 C ATOM 605 NE ARG A 40 -2.089 -4.431 -11.585 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.909 -4.991 -11.834 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.642 -6.183 -11.375 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.014 -4.344 -12.529 1.00 0.00 N ATOM 0 H ARG A 40 -2.445 -4.751 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.784 -6.468 -6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.540 -6.515 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.059 -4.948 -8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.945 -3.932 -9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.079 -5.453 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.109 -6.204 -11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.117 -4.771 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.261 -3.476 -11.899 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.339 -6.686 -10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.263 -6.612 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.220 -3.409 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.891 -4.773 -12.720 1.00 0.00 H new ATOM 622 N SER A 41 -3.202 -8.299 -7.896 1.00 0.00 N ATOM 623 CA SER A 41 -2.276 -9.417 -8.041 1.00 0.00 C ATOM 624 C SER A 41 -1.333 -9.174 -9.219 1.00 0.00 C ATOM 625 O SER A 41 -1.712 -8.545 -10.207 1.00 0.00 O ATOM 626 CB SER A 41 -3.060 -10.711 -8.268 1.00 0.00 C ATOM 627 OG SER A 41 -3.611 -11.151 -7.033 1.00 0.00 O ATOM 0 H SER A 41 -4.134 -8.471 -8.274 1.00 0.00 H new ATOM 0 HA SER A 41 -1.686 -9.505 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.855 -10.545 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.405 -11.478 -8.681 1.00 0.00 H new ATOM 0 HG SER A 41 -4.115 -11.979 -7.176 1.00 0.00 H new ATOM 633 N LYS A 42 -0.108 -9.672 -9.108 1.00 0.00 N ATOM 634 CA LYS A 42 0.874 -9.506 -10.176 1.00 0.00 C ATOM 635 C LYS A 42 0.505 -10.325 -11.416 1.00 0.00 C ATOM 636 O LYS A 42 0.814 -9.930 -12.541 1.00 0.00 O ATOM 637 CB LYS A 42 2.281 -9.884 -9.676 1.00 0.00 C ATOM 638 CG LYS A 42 2.817 -8.755 -8.790 1.00 0.00 C ATOM 639 CD LYS A 42 4.273 -9.020 -8.400 1.00 0.00 C ATOM 640 CE LYS A 42 4.733 -7.926 -7.431 1.00 0.00 C ATOM 641 NZ LYS A 42 6.220 -7.926 -7.341 1.00 0.00 N ATOM 0 H LYS A 42 0.229 -10.190 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 42 0.874 -8.455 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.242 -10.817 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.949 -10.048 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.744 -7.805 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.205 -8.668 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.366 -10.001 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.906 -9.028 -9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.380 -6.953 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.300 -8.095 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.528 -7.182 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.547 -8.851 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.625 -7.745 -8.282 1.00 0.00 H new ATOM 655 N ASP A 43 -0.136 -11.470 -11.209 1.00 0.00 N ATOM 656 CA ASP A 43 -0.524 -12.336 -12.324 1.00 0.00 C ATOM 657 C ASP A 43 -1.731 -11.785 -13.089 1.00 0.00 C ATOM 658 O ASP A 43 -1.727 -11.747 -14.320 1.00 0.00 O ATOM 659 CB ASP A 43 -0.850 -13.729 -11.794 1.00 0.00 C ATOM 660 CG ASP A 43 0.300 -14.233 -10.928 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.753 -13.476 -10.084 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.714 -15.364 -11.122 1.00 0.00 O ATOM 0 H ASP A 43 -0.398 -11.821 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 43 0.315 -12.379 -13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.771 -13.700 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.019 -14.414 -12.625 1.00 0.00 H new ATOM 667 N LYS A 44 -2.768 -11.378 -12.363 1.00 0.00 N ATOM 668 CA LYS A 44 -3.980 -10.859 -13.002 1.00 0.00 C ATOM 669 C LYS A 44 -3.680 -9.662 -13.903 1.00 0.00 C ATOM 670 O LYS A 44 -3.630 -9.790 -15.125 1.00 0.00 O ATOM 671 CB LYS A 44 -4.998 -10.434 -11.940 1.00 0.00 C ATOM 672 CG LYS A 44 -5.378 -11.625 -11.039 1.00 0.00 C ATOM 673 CD LYS A 44 -6.469 -12.511 -11.699 1.00 0.00 C ATOM 674 CE LYS A 44 -5.864 -13.574 -12.648 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.542 -14.879 -12.410 1.00 0.00 N ATOM 0 H LYS A 44 -2.798 -11.395 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.388 -11.662 -13.616 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.582 -9.630 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.891 -10.038 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.492 -12.227 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.739 -11.256 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.050 -13.008 -10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.159 -11.879 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.991 -13.268 -13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.792 -13.669 -12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.141 -15.599 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.399 -15.169 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.560 -14.781 -12.598 1.00 0.00 H new ATOM 689 N GLU A 45 -3.503 -8.498 -13.292 1.00 0.00 N ATOM 690 CA GLU A 45 -3.236 -7.279 -14.051 1.00 0.00 C ATOM 691 C GLU A 45 -4.366 -7.017 -15.034 1.00 0.00 C ATOM 692 O GLU A 45 -4.248 -7.256 -16.235 1.00 0.00 O ATOM 693 CB GLU A 45 -1.896 -7.391 -14.783 1.00 0.00 C ATOM 694 CG GLU A 45 -1.575 -6.065 -15.478 1.00 0.00 C ATOM 695 CD GLU A 45 -0.176 -6.120 -16.080 1.00 0.00 C ATOM 696 OE1 GLU A 45 0.562 -7.026 -15.728 1.00 0.00 O ATOM 697 OE2 GLU A 45 0.140 -5.253 -16.879 1.00 0.00 O ATOM 0 H GLU A 45 -3.539 -8.370 -12.281 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.178 -6.438 -13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.105 -7.643 -14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.937 -8.196 -15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.309 -5.867 -16.259 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.641 -5.245 -14.763 1.00 0.00 H new ATOM 704 N ASP A 46 -5.464 -6.522 -14.482 1.00 0.00 N ATOM 705 CA ASP A 46 -6.660 -6.209 -15.258 1.00 0.00 C ATOM 706 C ASP A 46 -7.716 -5.555 -14.365 1.00 0.00 C ATOM 707 O ASP A 46 -8.609 -4.861 -14.851 1.00 0.00 O ATOM 708 CB ASP A 46 -7.233 -7.488 -15.873 1.00 0.00 C ATOM 709 CG ASP A 46 -8.419 -7.149 -16.768 1.00 0.00 C ATOM 710 OD1 ASP A 46 -8.675 -5.971 -16.958 1.00 0.00 O ATOM 711 OD2 ASP A 46 -9.054 -8.071 -17.251 1.00 0.00 O ATOM 0 H ASP A 46 -5.553 -6.325 -13.485 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.387 -5.515 -16.053 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.464 -7.999 -16.452 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.546 -8.172 -15.084 1.00 0.00 H new ATOM 716 N GLN A 47 -7.605 -5.778 -13.050 1.00 0.00 N ATOM 717 CA GLN A 47 -8.555 -5.204 -12.090 1.00 0.00 C ATOM 718 C GLN A 47 -7.815 -4.696 -10.856 1.00 0.00 C ATOM 719 O GLN A 47 -6.693 -5.122 -10.583 1.00 0.00 O ATOM 720 CB GLN A 47 -9.585 -6.255 -11.677 1.00 0.00 C ATOM 721 CG GLN A 47 -10.444 -6.625 -12.887 1.00 0.00 C ATOM 722 CD GLN A 47 -11.437 -7.721 -12.514 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.126 -8.595 -11.704 1.00 0.00 O ATOM 724 NE2 GLN A 47 -12.621 -7.725 -13.061 1.00 0.00 N ATOM 0 H GLN A 47 -6.872 -6.348 -12.628 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.069 -4.369 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.082 -7.141 -11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.214 -5.869 -10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.980 -5.745 -13.244 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.807 -6.964 -13.704 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.875 -7.000 -13.731 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.292 -8.453 -12.818 1.00 0.00 H new ATOM 733 N TRP A 48 -8.439 -3.771 -10.119 1.00 0.00 N ATOM 734 CA TRP A 48 -7.806 -3.204 -8.922 1.00 0.00 C ATOM 735 C TRP A 48 -8.779 -3.102 -7.747 1.00 0.00 C ATOM 736 O TRP A 48 -9.901 -2.614 -7.888 1.00 0.00 O ATOM 737 CB TRP A 48 -7.268 -1.802 -9.242 1.00 0.00 C ATOM 738 CG TRP A 48 -6.025 -1.887 -10.074 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.990 -2.087 -11.412 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.639 -1.755 -9.647 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.668 -2.087 -11.830 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.800 -1.884 -10.777 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.035 -1.536 -8.397 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.408 -1.797 -10.670 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.640 -1.449 -8.284 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.828 -1.578 -9.418 1.00 0.00 C ATOM 0 H TRP A 48 -9.368 -3.403 -10.325 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.996 -3.874 -8.634 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.028 -1.228 -9.773 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.055 -1.269 -8.315 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.851 -2.224 -12.050 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.373 -2.221 -12.797 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.651 -1.434 -7.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.787 -1.898 -11.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.189 -1.282 -7.317 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.754 -1.508 -9.325 1.00 0.00 H new ATOM 757 N LEU A 49 -8.307 -3.527 -6.578 1.00 0.00 N ATOM 758 CA LEU A 49 -9.096 -3.449 -5.348 1.00 0.00 C ATOM 759 C LEU A 49 -8.921 -2.058 -4.747 1.00 0.00 C ATOM 760 O LEU A 49 -7.978 -1.364 -5.097 1.00 0.00 O ATOM 761 CB LEU A 49 -8.634 -4.510 -4.343 1.00 0.00 C ATOM 762 CG LEU A 49 -8.884 -5.919 -4.900 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.321 -6.950 -3.919 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.395 -6.158 -5.087 1.00 0.00 C ATOM 0 H LEU A 49 -7.378 -3.931 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.146 -3.632 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.573 -4.380 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.167 -4.384 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.391 -6.016 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.494 -7.954 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.250 -6.788 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.817 -6.843 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.559 -7.160 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.901 -6.060 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.796 -5.423 -5.785 1.00 0.00 H new ATOM 776 N GLU A 50 -9.838 -1.635 -3.868 1.00 0.00 N ATOM 777 CA GLU A 50 -9.750 -0.292 -3.260 1.00 0.00 C ATOM 778 C GLU A 50 -9.591 -0.358 -1.738 1.00 0.00 C ATOM 779 O GLU A 50 -10.088 -1.274 -1.083 1.00 0.00 O ATOM 780 CB GLU A 50 -11.011 0.507 -3.584 1.00 0.00 C ATOM 781 CG GLU A 50 -11.076 0.802 -5.085 1.00 0.00 C ATOM 782 CD GLU A 50 -12.387 1.512 -5.408 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.087 1.864 -4.474 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.675 1.684 -6.580 1.00 0.00 O ATOM 0 H GLU A 50 -10.638 -2.189 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.868 0.193 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.894 -0.053 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.014 1.441 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.231 1.424 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.003 -0.126 -5.652 1.00 0.00 H new ATOM 791 N LYS A 51 -8.892 0.641 -1.191 1.00 0.00 N ATOM 792 CA LYS A 51 -8.653 0.737 0.250 1.00 0.00 C ATOM 793 C LYS A 51 -8.457 2.216 0.615 1.00 0.00 C ATOM 794 O LYS A 51 -7.498 2.841 0.179 1.00 0.00 O ATOM 795 CB LYS A 51 -7.418 -0.121 0.603 1.00 0.00 C ATOM 796 CG LYS A 51 -6.860 0.168 2.030 1.00 0.00 C ATOM 797 CD LYS A 51 -7.454 -0.797 3.091 1.00 0.00 C ATOM 798 CE LYS A 51 -8.779 -0.257 3.652 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.098 -0.971 4.923 1.00 0.00 N ATOM 0 H LYS A 51 -8.479 1.401 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.499 0.358 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.683 -1.176 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.634 0.062 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.774 0.074 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.088 1.197 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.618 -1.777 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.740 -0.933 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.702 0.815 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.581 -0.402 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.994 -0.610 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.187 -1.990 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.336 -0.811 5.612 1.00 0.00 H new ATOM 813 N LYS A 52 -9.381 2.774 1.399 1.00 0.00 N ATOM 814 CA LYS A 52 -9.306 4.191 1.786 1.00 0.00 C ATOM 815 C LYS A 52 -8.710 4.345 3.187 1.00 0.00 C ATOM 816 O LYS A 52 -8.954 3.519 4.068 1.00 0.00 O ATOM 817 CB LYS A 52 -10.713 4.802 1.784 1.00 0.00 C ATOM 818 CG LYS A 52 -11.479 4.419 0.507 1.00 0.00 C ATOM 819 CD LYS A 52 -10.851 5.066 -0.734 1.00 0.00 C ATOM 820 CE LYS A 52 -11.690 4.696 -1.960 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.115 5.338 -3.175 1.00 0.00 N ATOM 0 H LYS A 52 -10.185 2.274 1.778 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.667 4.704 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.264 4.458 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.642 5.887 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.481 3.335 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.519 4.732 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.812 6.149 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.825 4.722 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.711 3.613 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.721 5.021 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.878 5.774 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.432 6.069 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.633 4.620 -3.752 1.00 0.00 H new ATOM 835 N VAL A 53 -7.933 5.420 3.395 1.00 0.00 N ATOM 836 CA VAL A 53 -7.320 5.686 4.704 1.00 0.00 C ATOM 837 C VAL A 53 -7.421 7.171 5.055 1.00 0.00 C ATOM 838 O VAL A 53 -7.562 8.022 4.180 1.00 0.00 O ATOM 839 CB VAL A 53 -5.831 5.234 4.736 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.546 4.477 6.038 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.526 4.320 3.544 1.00 0.00 C ATOM 0 H VAL A 53 -7.716 6.113 2.679 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.869 5.107 5.447 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.198 6.120 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.502 4.163 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.743 5.129 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.190 3.600 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.481 4.012 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.166 3.439 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.714 4.859 2.615 1.00 0.00 H new ATOM 851 N GLN A 54 -7.336 7.463 6.348 1.00 0.00 N ATOM 852 CA GLN A 54 -7.402 8.842 6.825 1.00 0.00 C ATOM 853 C GLN A 54 -6.126 9.578 6.429 1.00 0.00 C ATOM 854 O GLN A 54 -5.062 8.969 6.314 1.00 0.00 O ATOM 855 CB GLN A 54 -7.564 8.864 8.349 1.00 0.00 C ATOM 856 CG GLN A 54 -7.861 10.288 8.824 1.00 0.00 C ATOM 857 CD GLN A 54 -9.246 10.717 8.348 1.00 0.00 C ATOM 858 OE1 GLN A 54 -10.185 9.923 8.375 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.428 11.931 7.907 1.00 0.00 N ATOM 0 H GLN A 54 -7.222 6.766 7.084 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.261 9.337 6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.373 8.197 8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.655 8.495 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.810 10.336 9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.106 10.974 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.648 12.588 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.350 12.223 7.584 1.00 0.00 H new ATOM 868 N GLY A 55 -6.237 10.880 6.205 1.00 0.00 N ATOM 869 CA GLY A 55 -5.084 11.673 5.799 1.00 0.00 C ATOM 870 C GLY A 55 -3.994 11.690 6.863 1.00 0.00 C ATOM 871 O GLY A 55 -2.907 12.213 6.622 1.00 0.00 O ATOM 0 H GLY A 55 -7.106 11.407 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.677 11.271 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.403 12.694 5.591 1.00 0.00 H new ATOM 875 N ASN A 56 -4.284 11.127 8.041 1.00 0.00 N ATOM 876 CA ASN A 56 -3.306 11.103 9.135 1.00 0.00 C ATOM 877 C ASN A 56 -2.999 9.671 9.576 1.00 0.00 C ATOM 878 O ASN A 56 -2.198 9.464 10.489 1.00 0.00 O ATOM 879 CB ASN A 56 -3.847 11.896 10.324 1.00 0.00 C ATOM 880 CG ASN A 56 -4.035 13.356 9.928 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.238 13.901 9.165 1.00 0.00 O ATOM 882 ND2 ASN A 56 -5.054 14.023 10.397 1.00 0.00 N ATOM 0 H ASN A 56 -5.177 10.686 8.261 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.382 11.555 8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.797 11.474 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.158 11.824 11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.191 14.998 10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.713 13.569 11.029 1.00 0.00 H new ATOM 889 N LYS A 57 -3.628 8.684 8.937 1.00 0.00 N ATOM 890 CA LYS A 57 -3.382 7.292 9.311 1.00 0.00 C ATOM 891 C LYS A 57 -1.914 6.959 9.076 1.00 0.00 C ATOM 892 O LYS A 57 -1.240 6.386 9.933 1.00 0.00 O ATOM 893 CB LYS A 57 -4.259 6.337 8.479 1.00 0.00 C ATOM 894 CG LYS A 57 -4.436 4.995 9.227 1.00 0.00 C ATOM 895 CD LYS A 57 -5.726 5.040 10.056 1.00 0.00 C ATOM 896 CE LYS A 57 -5.761 3.873 11.049 1.00 0.00 C ATOM 897 NZ LYS A 57 -4.978 4.239 12.262 1.00 0.00 N ATOM 0 H LYS A 57 -4.295 8.817 8.177 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.633 7.166 10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.233 6.791 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.800 6.163 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.477 4.171 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.580 4.812 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.788 5.986 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.592 4.991 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.791 3.643 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.345 2.976 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.998 3.450 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.994 4.439 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.395 5.084 12.702 1.00 0.00 H new ATOM 911 N ASP A 58 -1.432 7.351 7.906 1.00 0.00 N ATOM 912 CA ASP A 58 -0.046 7.129 7.530 1.00 0.00 C ATOM 913 C ASP A 58 0.357 5.661 7.683 1.00 0.00 C ATOM 914 O ASP A 58 1.517 5.369 7.979 1.00 0.00 O ATOM 915 CB ASP A 58 0.863 7.997 8.403 1.00 0.00 C ATOM 916 CG ASP A 58 0.675 9.467 8.045 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.098 9.735 7.006 1.00 0.00 O ATOM 918 OD2 ASP A 58 1.111 10.305 8.819 1.00 0.00 O ATOM 0 H ASP A 58 -1.987 7.829 7.196 1.00 0.00 H new ATOM 0 HA ASP A 58 0.063 7.400 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.631 7.837 9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.904 7.709 8.259 1.00 0.00 H new ATOM 923 N HIS A 59 -0.591 4.739 7.482 1.00 0.00 N ATOM 924 CA HIS A 59 -0.296 3.303 7.607 1.00 0.00 C ATOM 925 C HIS A 59 -1.546 2.460 7.312 1.00 0.00 C ATOM 926 O HIS A 59 -2.671 2.894 7.559 1.00 0.00 O ATOM 927 CB HIS A 59 0.260 2.993 9.033 1.00 0.00 C ATOM 928 CG HIS A 59 -0.766 2.287 9.892 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.727 2.974 10.613 1.00 0.00 N ATOM 930 CD2 HIS A 59 -0.991 0.955 10.140 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.484 2.061 11.252 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.078 0.815 10.996 1.00 0.00 N ATOM 0 H HIS A 59 -1.557 4.955 7.235 1.00 0.00 H new ATOM 0 HA HIS A 59 0.464 3.039 6.872 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.153 2.373 8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.562 3.922 9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.412 0.140 9.732 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.318 2.307 11.893 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.479 -0.053 11.352 1.00 0.00 H new ATOM 940 N ILE A 60 -1.335 1.245 6.800 1.00 0.00 N ATOM 941 CA ILE A 60 -2.447 0.340 6.499 1.00 0.00 C ATOM 942 C ILE A 60 -2.025 -1.117 6.635 1.00 0.00 C ATOM 943 O ILE A 60 -0.890 -1.481 6.331 1.00 0.00 O ATOM 944 CB ILE A 60 -2.968 0.564 5.071 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.784 0.595 4.086 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.747 1.878 4.992 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.246 1.128 2.724 1.00 0.00 C ATOM 0 H ILE A 60 -0.412 0.867 6.587 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.237 0.559 7.218 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.636 -0.255 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.988 1.226 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.369 -0.407 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.111 2.025 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.593 1.841 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.093 2.706 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.402 1.146 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.026 0.480 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.639 2.138 2.843 1.00 0.00 H new ATOM 959 N ILE A 61 -2.968 -1.956 7.062 1.00 0.00 N ATOM 960 CA ILE A 61 -2.719 -3.389 7.204 1.00 0.00 C ATOM 961 C ILE A 61 -3.579 -4.136 6.191 1.00 0.00 C ATOM 962 O ILE A 61 -4.806 -4.063 6.240 1.00 0.00 O ATOM 963 CB ILE A 61 -3.089 -3.851 8.614 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.398 -2.955 9.653 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.654 -5.307 8.809 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.874 -2.955 9.461 1.00 0.00 C ATOM 0 H ILE A 61 -3.913 -1.667 7.316 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.662 -3.593 7.030 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.169 -3.779 8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.778 -1.937 9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.641 -3.304 10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.919 -5.634 9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.158 -5.938 8.077 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.575 -5.386 8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.413 -2.312 10.211 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.494 -3.971 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.633 -2.582 8.466 1.00 0.00 H new ATOM 978 N LEU A 62 -2.940 -4.848 5.266 1.00 0.00 N ATOM 979 CA LEU A 62 -3.674 -5.595 4.243 1.00 0.00 C ATOM 980 C LEU A 62 -3.637 -7.084 4.562 1.00 0.00 C ATOM 981 O LEU A 62 -2.612 -7.732 4.387 1.00 0.00 O ATOM 982 CB LEU A 62 -3.027 -5.357 2.876 1.00 0.00 C ATOM 983 CG LEU A 62 -2.860 -3.853 2.629 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.142 -3.644 1.294 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.234 -3.168 2.582 1.00 0.00 C ATOM 0 H LEU A 62 -1.925 -4.925 5.202 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.709 -5.255 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.056 -5.851 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.643 -5.796 2.092 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.276 -3.418 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.019 -2.577 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.163 -4.121 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.732 -4.085 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.102 -2.100 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.828 -3.598 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.748 -3.319 3.531 1.00 0.00 H new ATOM 997 N GLU A 63 -4.761 -7.612 5.035 1.00 0.00 N ATOM 998 CA GLU A 63 -4.855 -9.026 5.396 1.00 0.00 C ATOM 999 C GLU A 63 -5.464 -9.842 4.258 1.00 0.00 C ATOM 1000 O GLU A 63 -6.604 -9.593 3.879 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.747 -9.177 6.635 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.182 -8.344 7.789 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.065 -8.495 9.022 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.274 -8.438 8.874 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -5.517 -8.665 10.099 1.00 0.00 O ATOM 0 H GLU A 63 -5.621 -7.083 5.178 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.849 -9.393 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.762 -8.854 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.805 -10.226 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.166 -8.666 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.126 -7.295 7.498 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.680 -10.818 3.760 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.070 -11.745 2.677 1.00 0.00 C ATOM 1014 C HIS A 64 -4.091 -11.665 1.509 1.00 0.00 C ATOM 1015 O HIS A 64 -4.499 -11.462 0.365 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.482 -11.497 2.140 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.501 -11.862 3.190 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.348 -12.967 4.014 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -8.688 -11.280 3.558 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -8.418 -13.016 4.830 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -9.265 -12.010 4.594 1.00 0.00 N ATOM 0 H HIS A 64 -3.736 -10.989 4.107 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.050 -12.737 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.595 -10.450 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.647 -12.088 1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.110 -10.392 3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.573 -13.775 5.583 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.146 -11.818 5.071 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.798 -11.844 1.791 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.773 -11.807 0.743 1.00 0.00 C ATOM 1031 C LEU A 65 -1.190 -13.213 0.576 1.00 0.00 C ATOM 1032 O LEU A 65 -0.437 -13.677 1.417 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.671 -10.815 1.137 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.304 -9.512 1.647 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.200 -8.536 2.076 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.144 -8.881 0.529 1.00 0.00 C ATOM 0 H LEU A 65 -2.437 -12.015 2.730 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.211 -11.482 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.037 -11.249 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.031 -10.608 0.279 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.943 -9.730 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.651 -7.612 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.394 -8.985 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.443 -8.316 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.594 -7.956 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.506 -8.664 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.930 -9.574 0.229 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.559 -13.906 -0.495 1.00 0.00 N ATOM 1049 CA GLN A 66 -1.073 -15.275 -0.700 1.00 0.00 C ATOM 1050 C GLN A 66 0.460 -15.316 -0.765 1.00 0.00 C ATOM 1051 O GLN A 66 1.094 -14.485 -1.416 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.694 -15.876 -1.991 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.591 -17.091 -1.675 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.941 -16.624 -1.142 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -4.849 -17.435 -0.957 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.130 -15.360 -0.879 1.00 0.00 N ATOM 0 H GLN A 66 -2.180 -13.556 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.384 -15.879 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.280 -15.113 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.898 -16.177 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.734 -17.690 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.103 -17.731 -0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.377 -14.689 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.030 -15.043 -0.520 1.00 0.00 H new ATOM 1065 N TRP A 67 1.035 -16.300 -0.074 1.00 0.00 N ATOM 1066 CA TRP A 67 2.487 -16.475 -0.023 1.00 0.00 C ATOM 1067 C TRP A 67 3.069 -16.854 -1.387 1.00 0.00 C ATOM 1068 O TRP A 67 4.261 -16.666 -1.628 1.00 0.00 O ATOM 1069 CB TRP A 67 2.855 -17.598 0.947 1.00 0.00 C ATOM 1070 CG TRP A 67 2.408 -17.294 2.343 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.324 -17.839 2.927 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.016 -16.417 3.342 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.228 -17.377 4.226 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.245 -16.493 4.529 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.144 -15.575 3.342 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.587 -15.766 5.673 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.487 -14.838 4.494 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.709 -14.938 5.654 1.00 0.00 C ATOM 0 H TRP A 67 0.513 -16.993 0.462 1.00 0.00 H new ATOM 0 HA TRP A 67 2.899 -15.519 0.300 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.399 -18.530 0.614 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.934 -17.749 0.936 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.639 -18.528 2.455 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.496 -17.655 4.880 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.751 -15.493 2.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.986 -15.845 6.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.354 -14.194 4.482 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.978 -14.374 6.535 1.00 0.00 H new ATOM 1089 N THR A 68 2.243 -17.438 -2.258 1.00 0.00 N ATOM 1090 CA THR A 68 2.718 -17.896 -3.569 1.00 0.00 C ATOM 1091 C THR A 68 2.269 -16.969 -4.684 1.00 0.00 C ATOM 1092 O THR A 68 2.279 -17.348 -5.857 1.00 0.00 O ATOM 1093 CB THR A 68 2.185 -19.303 -3.842 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.764 -19.267 -3.887 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.636 -20.252 -2.730 1.00 0.00 C ATOM 0 H THR A 68 1.252 -17.605 -2.084 1.00 0.00 H new ATOM 0 HA THR A 68 3.808 -17.899 -3.547 1.00 0.00 H new ATOM 0 HB THR A 68 2.574 -19.658 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.419 -20.167 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.254 -21.253 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.725 -20.280 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.251 -19.900 -1.773 1.00 0.00 H new ATOM 1103 N MET A 69 1.878 -15.756 -4.330 1.00 0.00 N ATOM 1104 CA MET A 69 1.435 -14.795 -5.332 1.00 0.00 C ATOM 1105 C MET A 69 1.742 -13.377 -4.888 1.00 0.00 C ATOM 1106 O MET A 69 1.415 -12.977 -3.770 1.00 0.00 O ATOM 1107 CB MET A 69 -0.071 -14.942 -5.570 1.00 0.00 C ATOM 1108 CG MET A 69 -0.364 -16.174 -6.436 1.00 0.00 C ATOM 1109 SD MET A 69 -2.024 -16.012 -7.149 1.00 0.00 S ATOM 1110 CE MET A 69 -1.681 -14.630 -8.278 1.00 0.00 C ATOM 0 H MET A 69 1.857 -15.414 -3.369 1.00 0.00 H new ATOM 0 HA MET A 69 1.971 -14.996 -6.259 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.588 -15.031 -4.615 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.456 -14.047 -6.059 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.379 -16.263 -7.228 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.299 -17.081 -5.835 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.268 -13.761 -7.979 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.620 -14.383 -8.239 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.949 -14.916 -9.295 1.00 0.00 H new ATOM 1120 N GLY A 70 2.368 -12.620 -5.778 1.00 0.00 N ATOM 1121 CA GLY A 70 2.712 -11.243 -5.484 1.00 0.00 C ATOM 1122 C GLY A 70 1.531 -10.325 -5.750 1.00 0.00 C ATOM 1123 O GLY A 70 0.546 -10.724 -6.372 1.00 0.00 O ATOM 0 H GLY A 70 2.646 -12.938 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.020 -11.155 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.561 -10.937 -6.095 1.00 0.00 H new ATOM 1127 N TYR A 71 1.637 -9.093 -5.276 1.00 0.00 N ATOM 1128 CA TYR A 71 0.569 -8.122 -5.466 1.00 0.00 C ATOM 1129 C TYR A 71 1.119 -6.699 -5.350 1.00 0.00 C ATOM 1130 O TYR A 71 1.869 -6.387 -4.425 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.540 -8.381 -4.437 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.139 -7.841 -3.080 1.00 0.00 C ATOM 1133 CD1 TYR A 71 0.867 -8.476 -2.341 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -0.778 -6.714 -2.559 1.00 0.00 C ATOM 1135 CE1 TYR A 71 1.229 -7.977 -1.085 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -0.417 -6.214 -1.305 1.00 0.00 C ATOM 1137 CZ TYR A 71 0.588 -6.844 -0.568 1.00 0.00 C ATOM 1138 OH TYR A 71 0.942 -6.353 0.671 1.00 0.00 O ATOM 0 H TYR A 71 2.445 -8.743 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 71 0.147 -8.230 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.466 -7.908 -4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.736 -9.451 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.362 -9.349 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.555 -6.226 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.004 -8.466 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.914 -5.342 -0.907 1.00 0.00 H new ATOM 0 HH TYR A 71 0.400 -5.563 0.877 1.00 0.00 H new ATOM 1148 N GLU A 72 0.760 -5.848 -6.311 1.00 0.00 N ATOM 1149 CA GLU A 72 1.240 -4.463 -6.325 1.00 0.00 C ATOM 1150 C GLU A 72 0.328 -3.555 -5.499 1.00 0.00 C ATOM 1151 O GLU A 72 -0.858 -3.833 -5.330 1.00 0.00 O ATOM 1152 CB GLU A 72 1.323 -3.936 -7.782 1.00 0.00 C ATOM 1153 CG GLU A 72 1.363 -5.109 -8.763 1.00 0.00 C ATOM 1154 CD GLU A 72 1.808 -4.623 -10.138 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.979 -3.425 -10.293 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.972 -5.454 -11.016 1.00 0.00 O ATOM 0 H GLU A 72 0.142 -6.089 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 72 2.235 -4.450 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.464 -3.301 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.213 -3.319 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.048 -5.875 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.378 -5.570 -8.832 1.00 0.00 H new ATOM 1163 N VAL A 73 0.901 -2.459 -5.000 1.00 0.00 N ATOM 1164 CA VAL A 73 0.154 -1.486 -4.201 1.00 0.00 C ATOM 1165 C VAL A 73 0.330 -0.098 -4.799 1.00 0.00 C ATOM 1166 O VAL A 73 1.441 0.303 -5.129 1.00 0.00 O ATOM 1167 CB VAL A 73 0.666 -1.473 -2.752 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.428 -0.945 -1.812 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.065 -2.896 -2.346 1.00 0.00 C ATOM 0 H VAL A 73 1.884 -2.222 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.899 -1.767 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 73 1.534 -0.817 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.056 -0.940 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.701 0.069 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.305 -1.589 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.429 -2.893 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.198 -3.553 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.852 -3.256 -3.009 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.767 0.630 -4.930 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.731 1.978 -5.483 1.00 0.00 C ATOM 1181 C GLN A 74 -1.361 2.946 -4.499 1.00 0.00 C ATOM 1182 O GLN A 74 -2.568 2.919 -4.252 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.466 1.997 -6.817 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.524 3.424 -7.370 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.113 3.409 -8.776 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.259 4.458 -9.403 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.469 2.271 -9.309 1.00 0.00 N ATOM 0 H GLN A 74 -1.697 0.310 -4.660 1.00 0.00 H new ATOM 0 HA GLN A 74 0.301 2.285 -5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.960 1.344 -7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.476 1.608 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.131 4.052 -6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.524 3.857 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.347 1.403 -8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.869 2.250 -10.247 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.515 3.786 -3.927 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.939 4.772 -2.944 1.00 0.00 C ATOM 1198 C ILE A 75 -1.183 6.111 -3.622 1.00 0.00 C ATOM 1199 O ILE A 75 -0.357 6.577 -4.395 1.00 0.00 O ATOM 1200 CB ILE A 75 0.171 4.875 -1.870 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.109 3.906 -0.721 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.319 6.298 -1.321 1.00 0.00 C ATOM 1203 CD1 ILE A 75 -0.065 2.471 -1.249 1.00 0.00 C ATOM 0 H ILE A 75 0.484 3.805 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.875 4.474 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 75 1.110 4.608 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.630 4.038 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.085 4.115 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.110 6.318 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.573 6.977 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.620 6.612 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.264 1.777 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.820 2.345 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.921 2.267 -1.666 1.00 0.00 H new ATOM 1215 N THR A 76 -2.318 6.730 -3.317 1.00 0.00 N ATOM 1216 CA THR A 76 -2.648 8.033 -3.891 1.00 0.00 C ATOM 1217 C THR A 76 -3.217 8.931 -2.805 1.00 0.00 C ATOM 1218 O THR A 76 -4.248 8.629 -2.211 1.00 0.00 O ATOM 1219 CB THR A 76 -3.647 7.865 -5.035 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.277 6.742 -5.824 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.637 9.118 -5.910 1.00 0.00 C ATOM 0 H THR A 76 -3.022 6.356 -2.681 1.00 0.00 H new ATOM 0 HA THR A 76 -1.746 8.494 -4.294 1.00 0.00 H new ATOM 0 HB THR A 76 -4.645 7.713 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.918 6.632 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.350 8.998 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.916 9.984 -5.309 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.638 9.268 -6.320 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.527 10.034 -2.545 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.949 10.976 -1.517 1.00 0.00 C ATOM 1231 C ALA A 77 -3.873 12.024 -2.138 1.00 0.00 C ATOM 1232 O ALA A 77 -3.526 12.641 -3.144 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.696 11.627 -0.906 1.00 0.00 C ATOM 0 H ALA A 77 -1.671 10.298 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.501 10.466 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.994 12.336 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.063 10.856 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.142 12.151 -1.685 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.066 12.200 -1.563 1.00 0.00 N ATOM 1240 CA ALA A 78 -6.038 13.153 -2.114 1.00 0.00 C ATOM 1241 C ALA A 78 -6.096 14.453 -1.321 1.00 0.00 C ATOM 1242 O ALA A 78 -6.635 14.497 -0.215 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.430 12.517 -2.128 1.00 0.00 C ATOM 0 H ALA A 78 -5.380 11.704 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.712 13.394 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.150 13.226 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.414 11.619 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.719 12.252 -1.111 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.572 15.523 -1.922 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.591 16.846 -1.301 1.00 0.00 C ATOM 1251 C ASN A 79 -6.470 17.776 -2.125 1.00 0.00 C ATOM 1252 O ASN A 79 -7.099 17.352 -3.092 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.168 17.419 -1.221 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.356 16.982 -2.434 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -2.848 17.821 -3.179 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -3.202 15.709 -2.685 1.00 0.00 N ATOM 0 H ASN A 79 -5.129 15.497 -2.840 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.991 16.759 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.208 18.507 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.682 17.078 -0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.662 15.411 -3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.622 15.013 -2.069 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.502 19.041 -1.737 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.301 20.034 -2.456 1.00 0.00 C ATOM 1265 C ARG A 80 -7.195 19.806 -3.967 1.00 0.00 C ATOM 1266 O ARG A 80 -8.151 20.030 -4.710 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.812 21.451 -2.100 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.953 22.479 -2.271 1.00 0.00 C ATOM 1269 CD ARG A 80 -8.761 22.597 -0.971 1.00 0.00 C ATOM 1270 NE ARG A 80 -9.765 23.648 -1.100 1.00 0.00 N ATOM 1271 CZ ARG A 80 -10.931 23.418 -1.694 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -11.207 22.231 -2.158 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -11.805 24.381 -1.815 1.00 0.00 N ATOM 0 H ARG A 80 -5.990 19.408 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.345 19.931 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.450 21.469 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.972 21.723 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.539 23.451 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.607 22.174 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.245 21.646 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.094 22.820 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.568 24.577 -0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.527 21.476 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.103 22.057 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.593 25.311 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.700 24.203 -2.271 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.023 19.350 -4.403 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.786 19.084 -5.818 1.00 0.00 C ATOM 1289 C LEU A 81 -6.706 17.960 -6.286 1.00 0.00 C ATOM 1290 O LEU A 81 -7.288 18.020 -7.368 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.325 18.658 -6.035 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.389 19.874 -6.015 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.680 20.811 -7.204 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.556 20.631 -4.692 1.00 0.00 C ATOM 0 H LEU A 81 -5.225 19.158 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.988 19.991 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.029 17.954 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.232 18.138 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.361 19.524 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.004 21.665 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.531 20.270 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.711 21.161 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.890 21.494 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.588 20.967 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.308 19.970 -3.861 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.817 16.932 -5.447 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.649 15.764 -5.738 1.00 0.00 C ATOM 1308 C GLY A 82 -6.827 14.491 -5.595 1.00 0.00 C ATOM 1309 O GLY A 82 -7.239 13.543 -4.931 1.00 0.00 O ATOM 0 H GLY A 82 -6.335 16.884 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.500 15.735 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.050 15.836 -6.749 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.653 14.497 -6.211 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.740 13.365 -6.144 1.00 0.00 C ATOM 1315 C TYR A 83 -3.324 13.858 -6.398 1.00 0.00 C ATOM 1316 O TYR A 83 -3.089 14.595 -7.355 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.111 12.313 -7.190 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.612 12.148 -7.242 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.379 13.029 -8.014 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.240 11.118 -6.533 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.769 12.882 -8.075 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.632 10.971 -6.593 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.397 11.853 -7.365 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.768 11.705 -7.427 1.00 0.00 O ATOM 0 H TYR A 83 -5.309 15.280 -6.767 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.808 12.909 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.735 12.612 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.640 11.361 -6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.897 13.824 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.651 10.435 -5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.358 13.564 -8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.115 10.177 -6.043 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.040 10.941 -6.877 1.00 0.00 H new ATOM 1334 N SER A 84 -2.379 13.464 -5.555 1.00 0.00 N ATOM 1335 CA SER A 84 -1.008 13.907 -5.742 1.00 0.00 C ATOM 1336 C SER A 84 -0.042 13.075 -4.919 1.00 0.00 C ATOM 1337 O SER A 84 -0.434 12.389 -3.975 1.00 0.00 O ATOM 1338 CB SER A 84 -0.877 15.380 -5.354 1.00 0.00 C ATOM 1339 OG SER A 84 0.418 15.846 -5.709 1.00 0.00 O ATOM 0 H SER A 84 -2.532 12.853 -4.753 1.00 0.00 H new ATOM 0 HA SER A 84 -0.756 13.781 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.640 15.971 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.039 15.502 -4.283 1.00 0.00 H new ATOM 0 HG SER A 84 0.351 16.753 -6.074 1.00 0.00 H new ATOM 1345 N GLU A 85 1.226 13.151 -5.287 1.00 0.00 N ATOM 1346 CA GLU A 85 2.263 12.416 -4.585 1.00 0.00 C ATOM 1347 C GLU A 85 1.889 10.936 -4.500 1.00 0.00 C ATOM 1348 O GLU A 85 1.907 10.335 -3.424 1.00 0.00 O ATOM 1349 CB GLU A 85 2.459 13.025 -3.179 1.00 0.00 C ATOM 1350 CG GLU A 85 3.556 14.096 -3.211 1.00 0.00 C ATOM 1351 CD GLU A 85 3.183 15.208 -4.190 1.00 0.00 C ATOM 1352 OE1 GLU A 85 2.815 14.890 -5.306 1.00 0.00 O ATOM 1353 OE2 GLU A 85 3.269 16.362 -3.809 1.00 0.00 O ATOM 0 H GLU A 85 1.561 13.715 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 85 3.204 12.492 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.523 13.463 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.727 12.242 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.696 14.512 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.504 13.646 -3.505 1.00 0.00 H new ATOM 1360 N PRO A 86 1.561 10.337 -5.616 1.00 0.00 N ATOM 1361 CA PRO A 86 1.194 8.895 -5.669 1.00 0.00 C ATOM 1362 C PRO A 86 2.425 8.004 -5.512 1.00 0.00 C ATOM 1363 O PRO A 86 3.525 8.403 -5.893 1.00 0.00 O ATOM 1364 CB PRO A 86 0.591 8.741 -7.070 1.00 0.00 C ATOM 1365 CG PRO A 86 1.317 9.755 -7.886 1.00 0.00 C ATOM 1366 CD PRO A 86 1.512 10.955 -6.954 1.00 0.00 C ATOM 0 HA PRO A 86 0.514 8.601 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.739 7.734 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.483 8.927 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.274 9.368 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.744 10.032 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.430 11.497 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.692 11.668 -7.039 1.00 0.00 H new ATOM 1374 N THR A 87 2.238 6.787 -4.994 1.00 0.00 N ATOM 1375 CA THR A 87 3.355 5.854 -4.853 1.00 0.00 C ATOM 1376 C THR A 87 2.968 4.478 -5.346 1.00 0.00 C ATOM 1377 O THR A 87 2.081 3.825 -4.794 1.00 0.00 O ATOM 1378 CB THR A 87 3.841 5.735 -3.412 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.019 7.029 -2.853 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.170 4.977 -3.386 1.00 0.00 C ATOM 0 H THR A 87 1.339 6.430 -4.671 1.00 0.00 H new ATOM 0 HA THR A 87 4.167 6.259 -5.457 1.00 0.00 H new ATOM 0 HB THR A 87 3.099 5.193 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.174 6.950 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.520 4.891 -2.357 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.029 3.981 -3.806 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.909 5.519 -3.976 1.00 0.00 H new ATOM 1388 N VAL A 88 3.668 4.036 -6.373 1.00 0.00 N ATOM 1389 CA VAL A 88 3.446 2.715 -6.944 1.00 0.00 C ATOM 1390 C VAL A 88 4.461 1.757 -6.346 1.00 0.00 C ATOM 1391 O VAL A 88 5.592 1.652 -6.821 1.00 0.00 O ATOM 1392 CB VAL A 88 3.608 2.762 -8.465 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.123 1.445 -9.072 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.772 3.916 -9.026 1.00 0.00 C ATOM 0 H VAL A 88 4.401 4.575 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 88 2.434 2.380 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 88 4.658 2.912 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.239 1.479 -10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.712 0.620 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.072 1.295 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.884 3.953 -10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.723 3.761 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.113 4.856 -8.593 1.00 0.00 H new ATOM 1404 N TYR A 89 4.054 1.067 -5.286 1.00 0.00 N ATOM 1405 CA TYR A 89 4.937 0.119 -4.599 1.00 0.00 C ATOM 1406 C TYR A 89 4.632 -1.297 -5.073 1.00 0.00 C ATOM 1407 O TYR A 89 3.469 -1.675 -5.196 1.00 0.00 O ATOM 1408 CB TYR A 89 4.735 0.231 -3.082 1.00 0.00 C ATOM 1409 CG TYR A 89 5.709 -0.671 -2.333 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.095 -0.570 -2.548 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.220 -1.604 -1.402 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.977 -1.397 -1.843 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.108 -2.426 -0.697 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.483 -2.322 -0.919 1.00 0.00 C ATOM 1415 OH TYR A 89 8.357 -3.132 -0.220 1.00 0.00 O ATOM 0 H TYR A 89 3.121 1.143 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 89 5.976 0.352 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.877 1.265 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.711 -0.042 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.480 0.147 -3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.157 -1.687 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.041 -1.320 -2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.729 -3.141 0.019 1.00 0.00 H new ATOM 0 HH TYR A 89 7.851 -3.717 0.382 1.00 0.00 H new ATOM 1425 N GLU A 90 5.673 -2.076 -5.369 1.00 0.00 N ATOM 1426 CA GLU A 90 5.486 -3.443 -5.860 1.00 0.00 C ATOM 1427 C GLU A 90 6.473 -4.411 -5.210 1.00 0.00 C ATOM 1428 O GLU A 90 7.679 -4.165 -5.183 1.00 0.00 O ATOM 1429 CB GLU A 90 5.679 -3.455 -7.380 1.00 0.00 C ATOM 1430 CG GLU A 90 6.876 -2.570 -7.736 1.00 0.00 C ATOM 1431 CD GLU A 90 7.240 -2.741 -9.206 1.00 0.00 C ATOM 1432 OE1 GLU A 90 6.506 -2.236 -10.040 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.248 -3.372 -9.478 1.00 0.00 O ATOM 0 H GLU A 90 6.647 -1.788 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 90 4.479 -3.770 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.846 -4.473 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.780 -3.090 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.639 -1.526 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.729 -2.831 -7.110 1.00 0.00 H new ATOM 1440 N PHE A 91 5.950 -5.523 -4.704 1.00 0.00 N ATOM 1441 CA PHE A 91 6.794 -6.534 -4.075 1.00 0.00 C ATOM 1442 C PHE A 91 6.049 -7.856 -3.934 1.00 0.00 C ATOM 1443 O PHE A 91 4.913 -7.897 -3.462 1.00 0.00 O ATOM 1444 CB PHE A 91 7.282 -6.051 -2.705 1.00 0.00 C ATOM 1445 CG PHE A 91 6.140 -6.051 -1.713 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.178 -5.037 -1.756 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.057 -7.056 -0.739 1.00 0.00 C ATOM 1448 CE1 PHE A 91 4.131 -5.026 -0.827 1.00 0.00 C ATOM 1449 CE2 PHE A 91 5.009 -7.045 0.188 1.00 0.00 C ATOM 1450 CZ PHE A 91 4.047 -6.031 0.145 1.00 0.00 C ATOM 0 H PHE A 91 4.955 -5.746 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 91 7.660 -6.696 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.083 -6.698 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.697 -5.047 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.243 -4.262 -2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.801 -7.838 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.388 -4.243 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.943 -7.820 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.239 -6.023 0.862 1.00 0.00 H new ATOM 1460 N SER A 92 6.702 -8.936 -4.350 1.00 0.00 N ATOM 1461 CA SER A 92 6.104 -10.261 -4.275 1.00 0.00 C ATOM 1462 C SER A 92 6.211 -10.824 -2.862 1.00 0.00 C ATOM 1463 O SER A 92 6.911 -10.269 -2.015 1.00 0.00 O ATOM 1464 CB SER A 92 6.787 -11.196 -5.270 1.00 0.00 C ATOM 1465 OG SER A 92 8.197 -11.052 -5.161 1.00 0.00 O ATOM 0 H SER A 92 7.644 -8.918 -4.742 1.00 0.00 H new ATOM 0 HA SER A 92 5.047 -10.180 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.499 -12.229 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.464 -10.964 -6.285 1.00 0.00 H new ATOM 0 HG SER A 92 8.637 -11.653 -5.798 1.00 0.00 H new ATOM 1471 N MET A 93 5.485 -11.914 -2.603 1.00 0.00 N ATOM 1472 CA MET A 93 5.480 -12.528 -1.275 1.00 0.00 C ATOM 1473 C MET A 93 6.442 -13.718 -1.190 1.00 0.00 C ATOM 1474 O MET A 93 6.665 -14.410 -2.184 1.00 0.00 O ATOM 1475 CB MET A 93 4.077 -13.048 -0.959 1.00 0.00 C ATOM 1476 CG MET A 93 3.092 -11.894 -0.766 1.00 0.00 C ATOM 1477 SD MET A 93 1.733 -12.474 0.276 1.00 0.00 S ATOM 1478 CE MET A 93 2.453 -12.009 1.867 1.00 0.00 C ATOM 0 H MET A 93 4.897 -12.386 -3.290 1.00 0.00 H new ATOM 0 HA MET A 93 5.795 -11.762 -0.566 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.734 -13.692 -1.769 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.107 -13.659 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.590 -11.043 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.713 -11.554 -1.730 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.983 -12.588 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.524 -12.212 1.855 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.287 -10.946 2.045 1.00 0.00 H new ATOM 1488 N PRO A 94 6.972 -14.004 -0.016 1.00 0.00 N ATOM 1489 CA PRO A 94 7.866 -15.180 0.196 1.00 0.00 C ATOM 1490 C PRO A 94 7.030 -16.454 0.342 1.00 0.00 C ATOM 1491 O PRO A 94 5.827 -16.376 0.586 1.00 0.00 O ATOM 1492 CB PRO A 94 8.578 -14.839 1.508 1.00 0.00 C ATOM 1493 CG PRO A 94 7.580 -14.039 2.275 1.00 0.00 C ATOM 1494 CD PRO A 94 6.794 -13.236 1.237 1.00 0.00 C ATOM 0 HA PRO A 94 8.557 -15.361 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.866 -15.740 2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.490 -14.270 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.918 -14.688 2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.074 -13.378 2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.742 -13.153 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.179 -12.221 1.142 1.00 0.00 H new ATOM 1502 N PRO A 95 7.622 -17.612 0.216 1.00 0.00 N ATOM 1503 CA PRO A 95 6.875 -18.898 0.364 1.00 0.00 C ATOM 1504 C PRO A 95 6.359 -19.073 1.794 1.00 0.00 C ATOM 1505 O PRO A 95 6.892 -18.472 2.727 1.00 0.00 O ATOM 1506 CB PRO A 95 7.916 -19.970 -0.008 1.00 0.00 C ATOM 1507 CG PRO A 95 9.239 -19.319 0.245 1.00 0.00 C ATOM 1508 CD PRO A 95 9.045 -17.839 -0.081 1.00 0.00 C ATOM 0 HA PRO A 95 5.986 -18.951 -0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.794 -20.868 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.817 -20.273 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.549 -19.454 1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.017 -19.758 -0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.689 -17.205 0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.278 -17.623 -1.124 1.00 0.00 H new ATOM 1516 N LYS A 96 5.308 -19.879 1.955 1.00 0.00 N ATOM 1517 CA LYS A 96 4.719 -20.106 3.279 1.00 0.00 C ATOM 1518 C LYS A 96 5.820 -20.194 4.351 1.00 0.00 C ATOM 1519 O LYS A 96 6.787 -20.936 4.178 1.00 0.00 O ATOM 1520 CB LYS A 96 3.898 -21.409 3.270 1.00 0.00 C ATOM 1521 CG LYS A 96 3.227 -21.656 4.644 1.00 0.00 C ATOM 1522 CD LYS A 96 1.869 -20.932 4.713 1.00 0.00 C ATOM 1523 CE LYS A 96 0.811 -21.651 3.853 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.530 -21.456 4.473 1.00 0.00 N ATOM 0 H LYS A 96 4.850 -20.382 1.195 1.00 0.00 H new ATOM 0 HA LYS A 96 4.065 -19.267 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.135 -21.356 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.547 -22.249 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.085 -22.725 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.877 -21.301 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.530 -20.886 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.984 -19.904 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.818 -21.255 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.042 -22.714 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.251 -21.938 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.529 -21.854 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.747 -20.440 4.519 1.00 0.00 H new ATOM 1538 N PRO A 97 5.707 -19.468 5.446 1.00 0.00 N ATOM 1539 CA PRO A 97 6.740 -19.509 6.527 1.00 0.00 C ATOM 1540 C PRO A 97 6.752 -20.841 7.284 1.00 0.00 C ATOM 1541 O PRO A 97 5.702 -21.429 7.543 1.00 0.00 O ATOM 1542 CB PRO A 97 6.347 -18.348 7.444 1.00 0.00 C ATOM 1543 CG PRO A 97 4.880 -18.174 7.251 1.00 0.00 C ATOM 1544 CD PRO A 97 4.607 -18.534 5.794 1.00 0.00 C ATOM 0 HA PRO A 97 7.751 -19.419 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.583 -18.571 8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.889 -17.439 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.318 -18.820 7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.576 -17.149 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.631 -19.004 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.616 -17.651 5.156 1.00 0.00 H new