USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 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 88 ASN : amide:sc= -5.09! K(o=-9.9!,f=-1.8) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 180:sc= -4.77! (180deg=-0.295) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= -0.12 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.78 K(o=-0.9,f=-3.5) USER MOD Set 3.1: A 13 ASN : amide:sc= -5.77! C(o=-7!,f=-0.76!) USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 5 THR OG1 : rot 82:sc= 0.341 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 132:sc= 0.334 USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.389 (180deg=-1.61!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 23:sc= -0.492! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.314 K(o=-0.31,f=-3.4!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 37 LYS NZ :NH3+ -132:sc= -5.49! (180deg=-9.36!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00975 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -9.795 -1.132 -20.206 1.00 0.00 N ATOM 44 CA VAL A 4 -10.351 -0.792 -18.866 1.00 0.00 C ATOM 45 C VAL A 4 -9.855 0.593 -18.446 1.00 0.00 C ATOM 46 O VAL A 4 -9.340 1.348 -19.247 1.00 0.00 O ATOM 47 CB VAL A 4 -9.888 -1.831 -17.843 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.175 -3.235 -18.377 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.386 -1.674 -17.603 1.00 0.00 C ATOM 0 HA VAL A 4 -11.440 -0.790 -18.914 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.424 -1.683 -16.905 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.845 -3.976 -17.649 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.245 -3.347 -18.549 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.639 -3.384 -19.314 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.055 -2.414 -16.874 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.850 -1.823 -18.540 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.181 -0.673 -17.223 1.00 0.00 H new ATOM 59 N THR A 5 -10.007 0.933 -17.195 1.00 0.00 N ATOM 60 CA THR A 5 -9.543 2.269 -16.725 1.00 0.00 C ATOM 61 C THR A 5 -8.348 2.094 -15.787 1.00 0.00 C ATOM 62 O THR A 5 -8.320 1.201 -14.962 1.00 0.00 O ATOM 63 CB THR A 5 -10.680 2.970 -15.978 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.894 2.264 -16.196 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.823 4.404 -16.491 1.00 0.00 C ATOM 0 H THR A 5 -10.432 0.344 -16.479 1.00 0.00 H new ATOM 0 HA THR A 5 -9.245 2.872 -17.583 1.00 0.00 H new ATOM 0 HB THR A 5 -10.456 2.989 -14.911 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.943 1.501 -15.583 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.633 4.902 -15.958 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.892 4.945 -16.323 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.046 4.388 -17.558 1.00 0.00 H new ATOM 73 N LYS A 6 -7.360 2.938 -15.905 1.00 0.00 N ATOM 74 CA LYS A 6 -6.167 2.817 -15.019 1.00 0.00 C ATOM 75 C LYS A 6 -6.097 4.033 -14.090 1.00 0.00 C ATOM 76 O LYS A 6 -6.688 5.061 -14.353 1.00 0.00 O ATOM 77 CB LYS A 6 -4.901 2.755 -15.875 1.00 0.00 C ATOM 78 CG LYS A 6 -4.894 1.457 -16.685 1.00 0.00 C ATOM 79 CD LYS A 6 -3.747 1.491 -17.696 1.00 0.00 C ATOM 80 CE LYS A 6 -4.028 2.562 -18.751 1.00 0.00 C ATOM 81 NZ LYS A 6 -3.681 2.032 -20.100 1.00 0.00 N ATOM 0 H LYS A 6 -7.327 3.706 -16.576 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.247 1.908 -14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.860 3.614 -16.545 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.017 2.804 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.780 0.601 -16.019 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.845 1.334 -17.203 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.807 1.704 -17.188 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.639 0.516 -18.172 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.079 2.851 -18.721 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.445 3.458 -18.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.872 2.759 -20.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.673 1.777 -20.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.256 1.189 -20.300 1.00 0.00 H new ATOM 95 N TYR A 7 -5.379 3.922 -13.007 1.00 0.00 N ATOM 96 CA TYR A 7 -5.272 5.071 -12.064 1.00 0.00 C ATOM 97 C TYR A 7 -3.801 5.457 -11.894 1.00 0.00 C ATOM 98 O TYR A 7 -2.934 4.611 -11.811 1.00 0.00 O ATOM 99 CB TYR A 7 -5.855 4.672 -10.706 1.00 0.00 C ATOM 100 CG TYR A 7 -7.285 5.149 -10.613 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.284 4.516 -11.363 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.612 6.223 -9.777 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.609 4.958 -11.277 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.937 6.665 -9.690 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.936 6.032 -10.440 1.00 0.00 C ATOM 106 OH TYR A 7 -11.243 6.468 -10.355 1.00 0.00 O ATOM 0 H TYR A 7 -4.862 3.086 -12.734 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.826 5.921 -12.462 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.813 3.590 -10.584 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.262 5.107 -9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.032 3.687 -12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.841 6.711 -9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.379 4.471 -11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.189 7.494 -9.045 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.297 7.220 -9.729 1.00 0.00 H new ATOM 116 N PHE A 8 -3.515 6.729 -11.841 1.00 0.00 N ATOM 117 CA PHE A 8 -2.100 7.167 -11.677 1.00 0.00 C ATOM 118 C PHE A 8 -1.835 7.491 -10.205 1.00 0.00 C ATOM 119 O PHE A 8 -2.745 7.721 -9.435 1.00 0.00 O ATOM 120 CB PHE A 8 -1.853 8.416 -12.525 1.00 0.00 C ATOM 121 CG PHE A 8 -1.187 8.021 -13.821 1.00 0.00 C ATOM 122 CD1 PHE A 8 -1.952 7.506 -14.874 1.00 0.00 C ATOM 123 CD2 PHE A 8 0.198 8.168 -13.970 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.335 7.139 -16.076 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.816 7.801 -15.173 1.00 0.00 C ATOM 126 CZ PHE A 8 0.049 7.287 -16.225 1.00 0.00 C ATOM 0 H PHE A 8 -4.199 7.483 -11.904 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.432 6.369 -12.000 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.796 8.923 -12.728 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.224 9.120 -11.980 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.020 7.392 -14.759 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.790 8.564 -13.158 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.926 6.742 -16.888 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.884 7.915 -15.288 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.525 7.004 -17.152 1.00 0.00 H new ATOM 136 N TYR A 9 -0.591 7.508 -9.808 1.00 0.00 N ATOM 137 CA TYR A 9 -0.268 7.816 -8.386 1.00 0.00 C ATOM 138 C TYR A 9 1.106 8.484 -8.309 1.00 0.00 C ATOM 139 O TYR A 9 2.126 7.825 -8.265 1.00 0.00 O ATOM 140 CB TYR A 9 -0.252 6.520 -7.574 1.00 0.00 C ATOM 141 CG TYR A 9 0.195 6.813 -6.162 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.613 7.585 -5.318 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.417 6.312 -5.696 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.199 7.857 -4.009 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.831 6.584 -4.387 1.00 0.00 C ATOM 146 CZ TYR A 9 1.023 7.356 -3.543 1.00 0.00 C ATOM 147 OH TYR A 9 1.431 7.624 -2.253 1.00 0.00 O ATOM 0 H TYR A 9 0.214 7.322 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.023 8.489 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.245 6.072 -7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.420 5.797 -8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.556 7.971 -5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.040 5.716 -6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.822 8.453 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.774 6.198 -4.028 1.00 0.00 H new ATOM 0 HH TYR A 9 1.722 6.793 -1.823 1.00 0.00 H new ATOM 157 N LYS A 10 1.143 9.788 -8.292 1.00 0.00 N ATOM 158 CA LYS A 10 2.452 10.497 -8.218 1.00 0.00 C ATOM 159 C LYS A 10 3.123 10.189 -6.879 1.00 0.00 C ATOM 160 O LYS A 10 2.647 10.576 -5.830 1.00 0.00 O ATOM 161 CB LYS A 10 2.224 12.004 -8.339 1.00 0.00 C ATOM 162 CG LYS A 10 3.549 12.740 -8.129 1.00 0.00 C ATOM 163 CD LYS A 10 3.350 14.236 -8.380 1.00 0.00 C ATOM 164 CE LYS A 10 4.606 14.997 -7.955 1.00 0.00 C ATOM 165 NZ LYS A 10 5.038 14.529 -6.607 1.00 0.00 N ATOM 0 H LYS A 10 0.323 10.394 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 10 3.094 10.161 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.815 12.243 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.493 12.332 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.911 12.576 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.307 12.345 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.144 14.414 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.487 14.597 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.404 14.837 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.405 16.068 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.628 15.259 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.201 14.350 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.587 13.651 -6.704 1.00 0.00 H new ATOM 179 N GLY A 11 4.228 9.494 -6.904 1.00 0.00 N ATOM 180 CA GLY A 11 4.929 9.163 -5.632 1.00 0.00 C ATOM 181 C GLY A 11 5.832 10.329 -5.226 1.00 0.00 C ATOM 182 O GLY A 11 6.002 11.280 -5.964 1.00 0.00 O ATOM 0 H GLY A 11 4.675 9.142 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.201 8.962 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.522 8.257 -5.757 1.00 0.00 H new ATOM 186 N GLU A 12 6.411 10.265 -4.060 1.00 0.00 N ATOM 187 CA GLU A 12 7.302 11.372 -3.609 1.00 0.00 C ATOM 188 C GLU A 12 8.261 11.748 -4.740 1.00 0.00 C ATOM 189 O GLU A 12 8.678 12.883 -4.862 1.00 0.00 O ATOM 190 CB GLU A 12 8.105 10.915 -2.389 1.00 0.00 C ATOM 191 CG GLU A 12 7.154 10.644 -1.222 1.00 0.00 C ATOM 192 CD GLU A 12 7.039 9.135 -0.998 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.014 8.544 -0.565 1.00 0.00 O ATOM 194 OE2 GLU A 12 5.977 8.596 -1.263 1.00 0.00 O ATOM 0 H GLU A 12 6.306 9.495 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 12 6.698 12.239 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.669 10.014 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.830 11.680 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.522 11.130 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.172 11.067 -1.433 1.00 0.00 H new ATOM 201 N ASN A 13 8.614 10.804 -5.569 1.00 0.00 N ATOM 202 CA ASN A 13 9.546 11.109 -6.691 1.00 0.00 C ATOM 203 C ASN A 13 9.237 10.191 -7.876 1.00 0.00 C ATOM 204 O ASN A 13 9.070 10.638 -8.994 1.00 0.00 O ATOM 205 CB ASN A 13 10.988 10.882 -6.233 1.00 0.00 C ATOM 206 CG ASN A 13 11.163 9.425 -5.803 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.038 9.104 -4.637 1.00 0.00 O ATOM 208 ND2 ASN A 13 11.450 8.522 -6.701 1.00 0.00 N ATOM 0 H ASN A 13 8.298 9.836 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 13 9.420 12.148 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.679 11.119 -7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.227 11.548 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.569 7.548 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.555 8.791 -7.679 1.00 0.00 H new ATOM 215 N THR A 14 9.159 8.910 -7.641 1.00 0.00 N ATOM 216 CA THR A 14 8.860 7.964 -8.754 1.00 0.00 C ATOM 217 C THR A 14 7.348 7.899 -8.977 1.00 0.00 C ATOM 218 O THR A 14 6.569 8.011 -8.052 1.00 0.00 O ATOM 219 CB THR A 14 9.384 6.572 -8.396 1.00 0.00 C ATOM 220 OG1 THR A 14 10.802 6.606 -8.320 1.00 0.00 O ATOM 221 CG2 THR A 14 8.951 5.570 -9.467 1.00 0.00 C ATOM 0 H THR A 14 9.289 8.477 -6.727 1.00 0.00 H new ATOM 0 HA THR A 14 9.346 8.311 -9.666 1.00 0.00 H new ATOM 0 HB THR A 14 8.976 6.267 -7.432 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.139 5.715 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.325 4.579 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.863 5.544 -9.522 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.356 5.872 -10.433 1.00 0.00 H new ATOM 229 N ASP A 15 6.927 7.717 -10.198 1.00 0.00 N ATOM 230 CA ASP A 15 5.465 7.643 -10.479 1.00 0.00 C ATOM 231 C ASP A 15 5.069 6.188 -10.738 1.00 0.00 C ATOM 232 O ASP A 15 5.742 5.469 -11.450 1.00 0.00 O ATOM 233 CB ASP A 15 5.140 8.487 -11.713 1.00 0.00 C ATOM 234 CG ASP A 15 3.771 9.146 -11.535 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.791 8.422 -11.472 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.725 10.363 -11.465 1.00 0.00 O ATOM 0 H ASP A 15 7.532 7.616 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 15 4.910 8.024 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.906 9.249 -11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.141 7.861 -12.605 1.00 0.00 H new ATOM 241 N LEU A 16 3.983 5.747 -10.164 1.00 0.00 N ATOM 242 CA LEU A 16 3.546 4.339 -10.378 1.00 0.00 C ATOM 243 C LEU A 16 2.141 4.326 -10.983 1.00 0.00 C ATOM 244 O LEU A 16 1.422 5.303 -10.928 1.00 0.00 O ATOM 245 CB LEU A 16 3.531 3.602 -9.037 1.00 0.00 C ATOM 246 CG LEU A 16 4.898 3.733 -8.365 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.771 3.401 -6.877 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.882 2.762 -9.021 1.00 0.00 C ATOM 0 H LEU A 16 3.380 6.301 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 16 4.238 3.843 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.756 4.016 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.289 2.550 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 16 5.262 4.754 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.746 3.495 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.069 4.091 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.407 2.380 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.857 2.854 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.517 1.741 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.974 2.998 -10.081 1.00 0.00 H new ATOM 260 N ILE A 17 1.745 3.226 -11.563 1.00 0.00 N ATOM 261 CA ILE A 17 0.387 3.151 -12.172 1.00 0.00 C ATOM 262 C ILE A 17 -0.248 1.799 -11.839 1.00 0.00 C ATOM 263 O ILE A 17 0.437 0.820 -11.614 1.00 0.00 O ATOM 264 CB ILE A 17 0.500 3.302 -13.689 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.417 4.483 -14.016 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.888 3.553 -14.284 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.744 4.479 -15.510 1.00 0.00 C ATOM 0 H ILE A 17 2.303 2.376 -11.641 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.235 3.952 -11.773 1.00 0.00 H new ATOM 0 HB ILE A 17 0.916 2.389 -14.115 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.932 5.420 -13.742 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.335 4.416 -13.432 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.806 3.661 -15.366 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.541 2.712 -14.051 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.306 4.466 -13.859 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.397 5.320 -15.742 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.246 3.547 -15.770 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.822 4.566 -16.085 1.00 0.00 H new ATOM 279 N VAL A 18 -1.550 1.737 -11.805 1.00 0.00 N ATOM 280 CA VAL A 18 -2.227 0.447 -11.488 1.00 0.00 C ATOM 281 C VAL A 18 -3.414 0.247 -12.432 1.00 0.00 C ATOM 282 O VAL A 18 -3.711 1.087 -13.257 1.00 0.00 O ATOM 283 CB VAL A 18 -2.724 0.476 -10.041 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.614 -0.014 -9.109 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.109 1.909 -9.665 1.00 0.00 C ATOM 0 H VAL A 18 -2.175 2.523 -11.983 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.522 -0.375 -11.614 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.594 -0.174 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.969 0.007 -8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.338 -1.034 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.744 0.635 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.463 1.932 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.239 2.557 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.900 2.259 -10.328 1.00 0.00 H new ATOM 295 N PHE A 19 -4.095 -0.860 -12.317 1.00 0.00 N ATOM 296 CA PHE A 19 -5.262 -1.113 -13.208 1.00 0.00 C ATOM 297 C PHE A 19 -6.557 -0.878 -12.430 1.00 0.00 C ATOM 298 O PHE A 19 -6.552 -0.743 -11.223 1.00 0.00 O ATOM 299 CB PHE A 19 -5.220 -2.560 -13.705 1.00 0.00 C ATOM 300 CG PHE A 19 -4.329 -2.650 -14.920 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.007 -2.198 -14.855 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.827 -3.188 -16.114 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.181 -2.281 -15.982 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.001 -3.271 -17.242 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.677 -2.818 -17.175 1.00 0.00 C ATOM 0 H PHE A 19 -3.894 -1.600 -11.645 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.222 -0.435 -14.061 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.847 -3.215 -12.918 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.226 -2.900 -13.952 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.623 -1.784 -13.934 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.847 -3.539 -16.165 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.161 -1.931 -15.931 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.385 -3.684 -18.163 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.039 -2.883 -18.044 1.00 0.00 H new ATOM 315 N ALA A 20 -7.670 -0.828 -13.112 1.00 0.00 N ATOM 316 CA ALA A 20 -8.964 -0.602 -12.410 1.00 0.00 C ATOM 317 C ALA A 20 -10.112 -1.122 -13.279 1.00 0.00 C ATOM 318 O ALA A 20 -10.015 -1.168 -14.490 1.00 0.00 O ATOM 319 CB ALA A 20 -9.153 0.895 -12.158 1.00 0.00 C ATOM 0 H ALA A 20 -7.738 -0.934 -14.124 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.959 -1.133 -11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.100 1.061 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.335 1.266 -11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.159 1.426 -13.110 1.00 0.00 H new ATOM 325 N ALA A 21 -11.199 -1.512 -12.671 1.00 0.00 N ATOM 326 CA ALA A 21 -12.351 -2.029 -13.462 1.00 0.00 C ATOM 327 C ALA A 21 -13.240 -0.859 -13.890 1.00 0.00 C ATOM 328 O ALA A 21 -12.952 -0.165 -14.845 1.00 0.00 O ATOM 329 CB ALA A 21 -13.165 -3.000 -12.605 1.00 0.00 C ATOM 0 H ALA A 21 -11.339 -1.495 -11.661 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.981 -2.548 -14.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.008 -3.378 -13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.532 -3.833 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.536 -2.482 -11.721 1.00 0.00 H new ATOM 335 N SER A 22 -14.320 -0.636 -13.192 1.00 0.00 N ATOM 336 CA SER A 22 -15.226 0.487 -13.560 1.00 0.00 C ATOM 337 C SER A 22 -15.088 1.612 -12.531 1.00 0.00 C ATOM 338 O SER A 22 -14.883 1.371 -11.358 1.00 0.00 O ATOM 339 CB SER A 22 -16.672 -0.010 -13.581 1.00 0.00 C ATOM 340 OG SER A 22 -17.295 0.411 -14.788 1.00 0.00 O ATOM 0 H SER A 22 -14.614 -1.183 -12.383 1.00 0.00 H new ATOM 0 HA SER A 22 -14.957 0.862 -14.547 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.696 -1.097 -13.505 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.216 0.382 -12.721 1.00 0.00 H new ATOM 0 HG SER A 22 -18.222 0.093 -14.806 1.00 0.00 H new ATOM 346 N GLU A 23 -15.200 2.839 -12.961 1.00 0.00 N ATOM 347 CA GLU A 23 -15.075 3.977 -12.007 1.00 0.00 C ATOM 348 C GLU A 23 -16.180 3.881 -10.954 1.00 0.00 C ATOM 349 O GLU A 23 -15.943 4.051 -9.774 1.00 0.00 O ATOM 350 CB GLU A 23 -15.209 5.297 -12.767 1.00 0.00 C ATOM 351 CG GLU A 23 -14.104 6.258 -12.321 1.00 0.00 C ATOM 352 CD GLU A 23 -14.378 7.651 -12.890 1.00 0.00 C ATOM 353 OE1 GLU A 23 -15.151 7.746 -13.828 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.809 8.601 -12.376 1.00 0.00 O ATOM 0 H GLU A 23 -15.373 3.102 -13.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.101 3.937 -11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.140 5.120 -13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.188 5.739 -12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.062 6.300 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.134 5.898 -12.664 1.00 0.00 H new ATOM 361 N GLU A 24 -17.387 3.609 -11.369 1.00 0.00 N ATOM 362 CA GLU A 24 -18.505 3.502 -10.391 1.00 0.00 C ATOM 363 C GLU A 24 -18.083 2.599 -9.230 1.00 0.00 C ATOM 364 O GLU A 24 -18.488 2.792 -8.102 1.00 0.00 O ATOM 365 CB GLU A 24 -19.732 2.904 -11.082 1.00 0.00 C ATOM 366 CG GLU A 24 -20.900 2.853 -10.096 1.00 0.00 C ATOM 367 CD GLU A 24 -22.101 2.176 -10.760 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.939 1.066 -11.241 1.00 0.00 O ATOM 369 OE2 GLU A 24 -23.161 2.779 -10.777 1.00 0.00 O ATOM 0 H GLU A 24 -17.647 3.456 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.750 4.493 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.002 3.505 -11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.505 1.902 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.609 2.304 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.167 3.861 -9.780 1.00 0.00 H new ATOM 376 N LEU A 25 -17.270 1.614 -9.498 1.00 0.00 N ATOM 377 CA LEU A 25 -16.822 0.701 -8.410 1.00 0.00 C ATOM 378 C LEU A 25 -15.770 1.407 -7.552 1.00 0.00 C ATOM 379 O LEU A 25 -15.879 1.464 -6.344 1.00 0.00 O ATOM 380 CB LEU A 25 -16.215 -0.564 -9.023 1.00 0.00 C ATOM 381 CG LEU A 25 -17.253 -1.249 -9.913 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.735 -2.624 -10.337 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.560 -1.415 -9.135 1.00 0.00 C ATOM 0 H LEU A 25 -16.897 1.402 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.676 0.430 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.331 -0.309 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.891 -1.244 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.431 -0.639 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.475 -3.112 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.803 -2.507 -10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.557 -3.235 -9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.301 -1.903 -9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.381 -2.025 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.930 -0.435 -8.832 1.00 0.00 H new ATOM 395 N VAL A 26 -14.753 1.945 -8.168 1.00 0.00 N ATOM 396 CA VAL A 26 -13.697 2.648 -7.386 1.00 0.00 C ATOM 397 C VAL A 26 -14.351 3.648 -6.429 1.00 0.00 C ATOM 398 O VAL A 26 -14.110 3.630 -5.239 1.00 0.00 O ATOM 399 CB VAL A 26 -12.765 3.393 -8.342 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.682 4.117 -7.541 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.108 2.391 -9.296 1.00 0.00 C ATOM 0 H VAL A 26 -14.608 1.928 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.123 1.919 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.340 4.121 -8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.018 4.648 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.148 4.830 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.107 3.390 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.443 2.921 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.534 1.664 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.879 1.874 -9.868 1.00 0.00 H new ATOM 411 N ASP A 27 -15.175 4.521 -6.942 1.00 0.00 N ATOM 412 CA ASP A 27 -15.843 5.520 -6.061 1.00 0.00 C ATOM 413 C ASP A 27 -16.590 4.793 -4.941 1.00 0.00 C ATOM 414 O ASP A 27 -16.398 5.070 -3.773 1.00 0.00 O ATOM 415 CB ASP A 27 -16.836 6.342 -6.885 1.00 0.00 C ATOM 416 CG ASP A 27 -16.771 7.807 -6.448 1.00 0.00 C ATOM 417 OD1 ASP A 27 -17.132 8.084 -5.316 1.00 0.00 O ATOM 418 OD2 ASP A 27 -16.363 8.627 -7.253 1.00 0.00 O ATOM 0 H ASP A 27 -15.414 4.585 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.093 6.182 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.602 6.257 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.846 5.955 -6.749 1.00 0.00 H new ATOM 423 N GLU A 28 -17.439 3.864 -5.285 1.00 0.00 N ATOM 424 CA GLU A 28 -18.195 3.120 -4.239 1.00 0.00 C ATOM 425 C GLU A 28 -17.228 2.641 -3.155 1.00 0.00 C ATOM 426 O GLU A 28 -17.517 2.708 -1.978 1.00 0.00 O ATOM 427 CB GLU A 28 -18.890 1.913 -4.873 1.00 0.00 C ATOM 428 CG GLU A 28 -20.264 2.334 -5.400 1.00 0.00 C ATOM 429 CD GLU A 28 -20.976 1.117 -5.994 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.583 0.008 -5.672 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.905 1.315 -6.760 1.00 0.00 O ATOM 0 H GLU A 28 -17.642 3.588 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.943 3.777 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.283 1.516 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.999 1.115 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.860 2.760 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.153 3.110 -6.158 1.00 0.00 H new ATOM 438 N TYR A 29 -16.080 2.158 -3.544 1.00 0.00 N ATOM 439 CA TYR A 29 -15.095 1.674 -2.535 1.00 0.00 C ATOM 440 C TYR A 29 -14.678 2.838 -1.632 1.00 0.00 C ATOM 441 O TYR A 29 -14.644 2.716 -0.424 1.00 0.00 O ATOM 442 CB TYR A 29 -13.862 1.118 -3.251 1.00 0.00 C ATOM 443 CG TYR A 29 -12.938 0.483 -2.241 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.263 -0.757 -1.677 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.756 1.134 -1.866 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.407 -1.346 -0.740 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.900 0.545 -0.928 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.225 -0.695 -0.365 1.00 0.00 C ATOM 449 OH TYR A 29 -10.381 -1.275 0.559 1.00 0.00 O ATOM 0 H TYR A 29 -15.781 2.077 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.549 0.889 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.162 0.383 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.345 1.918 -3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.175 -1.259 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.505 2.090 -2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.658 -2.303 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.989 1.047 -0.639 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.530 -2.243 0.576 1.00 0.00 H new ATOM 459 N LEU A 30 -14.363 3.965 -2.210 1.00 0.00 N ATOM 460 CA LEU A 30 -13.950 5.135 -1.383 1.00 0.00 C ATOM 461 C LEU A 30 -14.927 5.306 -0.218 1.00 0.00 C ATOM 462 O LEU A 30 -14.537 5.584 0.897 1.00 0.00 O ATOM 463 CB LEU A 30 -13.958 6.397 -2.246 1.00 0.00 C ATOM 464 CG LEU A 30 -12.541 6.682 -2.749 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.575 7.845 -3.742 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.646 7.052 -1.563 1.00 0.00 C ATOM 0 H LEU A 30 -14.374 4.126 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.946 4.969 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.636 6.269 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.327 7.244 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.145 5.795 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.566 8.048 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.214 7.584 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.970 8.733 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.636 7.255 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.043 7.940 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.621 6.225 -0.854 1.00 0.00 H new ATOM 478 N LYS A 31 -16.197 5.140 -0.470 1.00 0.00 N ATOM 479 CA LYS A 31 -17.198 5.293 0.623 1.00 0.00 C ATOM 480 C LYS A 31 -17.264 3.998 1.436 1.00 0.00 C ATOM 481 O LYS A 31 -18.036 3.877 2.368 1.00 0.00 O ATOM 482 CB LYS A 31 -18.573 5.586 0.019 1.00 0.00 C ATOM 483 CG LYS A 31 -18.415 6.533 -1.174 1.00 0.00 C ATOM 484 CD LYS A 31 -19.796 6.908 -1.715 1.00 0.00 C ATOM 485 CE LYS A 31 -20.234 8.245 -1.115 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.474 8.713 -1.796 1.00 0.00 N ATOM 0 H LYS A 31 -16.584 4.905 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.904 6.117 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.047 4.658 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.224 6.035 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.876 7.430 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.824 6.055 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.765 6.978 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.519 6.131 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.413 8.134 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.442 8.985 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.772 9.622 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.288 8.834 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.229 8.010 -1.664 1.00 0.00 H new ATOM 500 N ASN A 32 -16.461 3.029 1.092 1.00 0.00 N ATOM 501 CA ASN A 32 -16.478 1.743 1.845 1.00 0.00 C ATOM 502 C ASN A 32 -15.118 1.057 1.708 1.00 0.00 C ATOM 503 O ASN A 32 -15.004 -0.008 1.137 1.00 0.00 O ATOM 504 CB ASN A 32 -17.568 0.832 1.275 1.00 0.00 C ATOM 505 CG ASN A 32 -18.166 -0.014 2.401 1.00 0.00 C ATOM 506 OD1 ASN A 32 -17.900 0.224 3.562 1.00 0.00 O ATOM 507 ND2 ASN A 32 -18.970 -0.998 2.104 1.00 0.00 N ATOM 0 H ASN A 32 -15.794 3.072 0.322 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.683 1.940 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.347 1.431 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.150 0.186 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.375 -1.567 2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.193 -1.198 1.129 1.00 0.00 H new ATOM 514 N PRO A 33 -14.092 1.671 2.235 1.00 0.00 N ATOM 515 CA PRO A 33 -12.707 1.124 2.180 1.00 0.00 C ATOM 516 C PRO A 33 -12.534 -0.105 3.078 1.00 0.00 C ATOM 517 O PRO A 33 -12.536 -0.007 4.288 1.00 0.00 O ATOM 518 CB PRO A 33 -11.834 2.277 2.679 1.00 0.00 C ATOM 519 CG PRO A 33 -12.737 3.132 3.506 1.00 0.00 C ATOM 520 CD PRO A 33 -14.147 2.960 2.941 1.00 0.00 C ATOM 0 HA PRO A 33 -12.447 0.787 1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.995 1.907 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.414 2.841 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.701 2.832 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.428 4.176 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -14.896 2.950 3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.409 3.774 2.265 1.00 0.00 H new ATOM 528 N SER A 34 -12.385 -1.263 2.493 1.00 0.00 N ATOM 529 CA SER A 34 -12.212 -2.494 3.313 1.00 0.00 C ATOM 530 C SER A 34 -11.221 -3.433 2.622 1.00 0.00 C ATOM 531 O SER A 34 -10.196 -3.011 2.123 1.00 0.00 O ATOM 532 CB SER A 34 -13.561 -3.199 3.463 1.00 0.00 C ATOM 533 OG SER A 34 -14.580 -2.226 3.649 1.00 0.00 O ATOM 0 H SER A 34 -12.376 -1.409 1.483 1.00 0.00 H new ATOM 0 HA SER A 34 -11.830 -2.224 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.772 -3.799 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.535 -3.882 4.312 1.00 0.00 H new ATOM 0 HG SER A 34 -15.446 -2.674 3.744 1.00 0.00 H new ATOM 539 N ILE A 35 -11.515 -4.703 2.590 1.00 0.00 N ATOM 540 CA ILE A 35 -10.588 -5.668 1.932 1.00 0.00 C ATOM 541 C ILE A 35 -11.397 -6.686 1.128 1.00 0.00 C ATOM 542 O ILE A 35 -10.852 -7.584 0.517 1.00 0.00 O ATOM 543 CB ILE A 35 -9.770 -6.395 3.000 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.513 -6.989 2.360 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.608 -7.519 3.611 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.365 -5.982 2.455 1.00 0.00 C ATOM 0 H ILE A 35 -12.357 -5.115 2.991 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.917 -5.129 1.263 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.485 -5.690 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.240 -7.916 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.707 -7.238 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.024 -8.036 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.505 -7.098 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.894 -8.225 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.470 -6.406 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.640 -5.066 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.166 -5.755 3.502 1.00 0.00 H new ATOM 558 N GLY A 36 -12.696 -6.554 1.120 1.00 0.00 N ATOM 559 CA GLY A 36 -13.538 -7.516 0.354 1.00 0.00 C ATOM 560 C GLY A 36 -13.806 -6.960 -1.046 1.00 0.00 C ATOM 561 O GLY A 36 -13.246 -7.415 -2.023 1.00 0.00 O ATOM 0 H GLY A 36 -13.210 -5.822 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.034 -8.480 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.480 -7.686 0.875 1.00 0.00 H new ATOM 565 N LYS A 37 -14.660 -5.980 -1.151 1.00 0.00 N ATOM 566 CA LYS A 37 -14.964 -5.396 -2.489 1.00 0.00 C ATOM 567 C LYS A 37 -13.659 -4.996 -3.179 1.00 0.00 C ATOM 568 O LYS A 37 -13.627 -4.735 -4.365 1.00 0.00 O ATOM 569 CB LYS A 37 -15.850 -4.161 -2.315 1.00 0.00 C ATOM 570 CG LYS A 37 -15.850 -3.346 -3.611 1.00 0.00 C ATOM 571 CD LYS A 37 -16.907 -2.244 -3.521 1.00 0.00 C ATOM 572 CE LYS A 37 -17.269 -1.767 -4.929 1.00 0.00 C ATOM 573 NZ LYS A 37 -16.036 -1.318 -5.634 1.00 0.00 N ATOM 0 H LYS A 37 -15.161 -5.558 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.485 -6.134 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.867 -4.462 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.484 -3.551 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.866 -2.908 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.058 -3.995 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.796 -2.619 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.529 -1.410 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.746 -2.573 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.987 -0.949 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.206 -0.391 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.255 -1.239 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.785 -2.010 -6.369 1.00 0.00 H new ATOM 587 N LEU A 38 -12.580 -4.945 -2.446 1.00 0.00 N ATOM 588 CA LEU A 38 -11.279 -4.560 -3.061 1.00 0.00 C ATOM 589 C LEU A 38 -11.052 -5.384 -4.331 1.00 0.00 C ATOM 590 O LEU A 38 -11.019 -4.859 -5.426 1.00 0.00 O ATOM 591 CB LEU A 38 -10.146 -4.832 -2.069 1.00 0.00 C ATOM 592 CG LEU A 38 -8.925 -3.991 -2.444 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.973 -2.657 -1.696 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.650 -4.744 -2.059 1.00 0.00 C ATOM 0 H LEU A 38 -12.544 -5.153 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.296 -3.500 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.470 -4.591 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.888 -5.891 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.929 -3.805 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.102 -2.058 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.881 -2.119 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.970 -2.842 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.779 -4.145 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.647 -4.930 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.614 -5.694 -2.591 1.00 0.00 H new ATOM 606 N SER A 39 -10.895 -6.672 -4.194 1.00 0.00 N ATOM 607 CA SER A 39 -10.670 -7.528 -5.393 1.00 0.00 C ATOM 608 C SER A 39 -11.740 -7.224 -6.444 1.00 0.00 C ATOM 609 O SER A 39 -11.448 -7.058 -7.611 1.00 0.00 O ATOM 610 CB SER A 39 -10.753 -9.001 -4.992 1.00 0.00 C ATOM 611 OG SER A 39 -11.765 -9.162 -4.006 1.00 0.00 O ATOM 0 H SER A 39 -10.913 -7.169 -3.303 1.00 0.00 H new ATOM 0 HA SER A 39 -9.684 -7.320 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.977 -9.615 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.793 -9.339 -4.603 1.00 0.00 H new ATOM 0 HG SER A 39 -11.822 -10.105 -3.747 1.00 0.00 H new ATOM 617 N GLU A 40 -12.979 -7.152 -6.039 1.00 0.00 N ATOM 618 CA GLU A 40 -14.066 -6.861 -7.016 1.00 0.00 C ATOM 619 C GLU A 40 -13.715 -5.602 -7.811 1.00 0.00 C ATOM 620 O GLU A 40 -14.281 -5.336 -8.853 1.00 0.00 O ATOM 621 CB GLU A 40 -15.380 -6.640 -6.265 1.00 0.00 C ATOM 622 CG GLU A 40 -16.554 -6.764 -7.239 1.00 0.00 C ATOM 623 CD GLU A 40 -17.777 -6.052 -6.660 1.00 0.00 C ATOM 624 OE1 GLU A 40 -17.616 -5.340 -5.682 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.855 -6.231 -7.203 1.00 0.00 O ATOM 0 H GLU A 40 -13.285 -7.282 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.175 -7.703 -7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.480 -7.372 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.383 -5.655 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.289 -6.328 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.783 -7.815 -7.417 1.00 0.00 H new ATOM 632 N VAL A 41 -12.786 -4.822 -7.329 1.00 0.00 N ATOM 633 CA VAL A 41 -12.401 -3.582 -8.058 1.00 0.00 C ATOM 634 C VAL A 41 -11.081 -3.813 -8.799 1.00 0.00 C ATOM 635 O VAL A 41 -11.011 -3.710 -10.007 1.00 0.00 O ATOM 636 CB VAL A 41 -12.231 -2.436 -7.060 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.787 -1.173 -7.802 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.563 -2.170 -6.356 1.00 0.00 C ATOM 0 H VAL A 41 -12.277 -4.991 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.180 -3.327 -8.776 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.477 -2.708 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.666 -0.356 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.838 -1.361 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.541 -0.901 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.442 -1.353 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.317 -1.899 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.880 -3.068 -5.826 1.00 0.00 H new ATOM 648 N VAL A 42 -10.035 -4.122 -8.084 1.00 0.00 N ATOM 649 CA VAL A 42 -8.722 -4.357 -8.747 1.00 0.00 C ATOM 650 C VAL A 42 -8.751 -5.699 -9.480 1.00 0.00 C ATOM 651 O VAL A 42 -9.026 -6.729 -8.897 1.00 0.00 O ATOM 652 CB VAL A 42 -7.614 -4.377 -7.693 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.251 -4.439 -8.384 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.697 -3.106 -6.844 1.00 0.00 C ATOM 0 H VAL A 42 -10.033 -4.222 -7.069 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.530 -3.557 -9.462 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.737 -5.252 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.462 -4.453 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.191 -5.343 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.127 -3.565 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.908 -3.119 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.575 -2.232 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.668 -3.061 -6.350 1.00 0.00 H new ATOM 664 N GLU A 43 -8.470 -5.697 -10.754 1.00 0.00 N ATOM 665 CA GLU A 43 -8.481 -6.974 -11.523 1.00 0.00 C ATOM 666 C GLU A 43 -7.049 -7.489 -11.672 1.00 0.00 C ATOM 667 O GLU A 43 -6.814 -8.678 -11.762 1.00 0.00 O ATOM 668 CB GLU A 43 -9.083 -6.730 -12.909 1.00 0.00 C ATOM 669 CG GLU A 43 -10.279 -5.784 -12.788 1.00 0.00 C ATOM 670 CD GLU A 43 -10.980 -5.672 -14.143 1.00 0.00 C ATOM 671 OE1 GLU A 43 -10.360 -5.176 -15.070 1.00 0.00 O ATOM 672 OE2 GLU A 43 -12.125 -6.084 -14.232 1.00 0.00 O ATOM 0 H GLU A 43 -8.233 -4.866 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.081 -7.714 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.332 -6.301 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.397 -7.675 -13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.975 -6.155 -12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.946 -4.800 -12.456 1.00 0.00 H new ATOM 679 N LEU A 44 -6.089 -6.606 -11.698 1.00 0.00 N ATOM 680 CA LEU A 44 -4.673 -7.046 -11.841 1.00 0.00 C ATOM 681 C LEU A 44 -3.874 -6.594 -10.617 1.00 0.00 C ATOM 682 O LEU A 44 -3.737 -5.416 -10.355 1.00 0.00 O ATOM 683 CB LEU A 44 -4.070 -6.424 -13.102 1.00 0.00 C ATOM 684 CG LEU A 44 -4.446 -7.271 -14.319 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.639 -6.363 -15.535 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.327 -8.275 -14.606 1.00 0.00 C ATOM 0 H LEU A 44 -6.224 -5.598 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.636 -8.133 -11.919 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.435 -5.405 -13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.986 -6.364 -13.008 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.373 -7.806 -14.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.907 -6.967 -16.402 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.435 -5.647 -15.332 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.712 -5.827 -15.739 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.594 -8.879 -15.473 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.400 -7.739 -14.809 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.189 -8.923 -13.741 1.00 0.00 H new ATOM 698 N PHE A 45 -3.346 -7.521 -9.866 1.00 0.00 N ATOM 699 CA PHE A 45 -2.557 -7.143 -8.660 1.00 0.00 C ATOM 700 C PHE A 45 -1.096 -6.921 -9.053 1.00 0.00 C ATOM 701 O PHE A 45 -0.244 -7.754 -8.813 1.00 0.00 O ATOM 702 CB PHE A 45 -2.642 -8.265 -7.623 1.00 0.00 C ATOM 703 CG PHE A 45 -3.899 -8.099 -6.804 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.153 -8.223 -7.414 1.00 0.00 C ATOM 705 CD2 PHE A 45 -3.812 -7.820 -5.435 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.319 -8.070 -6.655 1.00 0.00 C ATOM 707 CE2 PHE A 45 -4.977 -7.666 -4.676 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.231 -7.791 -5.286 1.00 0.00 C ATOM 0 H PHE A 45 -3.427 -8.524 -10.035 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.961 -6.224 -8.236 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.645 -9.235 -8.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.767 -8.242 -6.974 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.221 -8.437 -8.470 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.845 -7.724 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.286 -8.167 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.909 -7.451 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.131 -7.672 -4.700 1.00 0.00 H new ATOM 718 N GLU A 46 -0.798 -5.803 -9.658 1.00 0.00 N ATOM 719 CA GLU A 46 0.609 -5.529 -10.067 1.00 0.00 C ATOM 720 C GLU A 46 0.782 -4.031 -10.323 1.00 0.00 C ATOM 721 O GLU A 46 -0.067 -3.390 -10.911 1.00 0.00 O ATOM 722 CB GLU A 46 0.931 -6.306 -11.345 1.00 0.00 C ATOM 723 CG GLU A 46 2.153 -5.687 -12.024 1.00 0.00 C ATOM 724 CD GLU A 46 2.699 -6.656 -13.075 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.543 -7.851 -12.887 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.265 -6.187 -14.049 1.00 0.00 O ATOM 0 H GLU A 46 -1.468 -5.068 -9.886 1.00 0.00 H new ATOM 0 HA GLU A 46 1.286 -5.843 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.124 -7.352 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.076 -6.285 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.882 -4.741 -12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.921 -5.467 -11.283 1.00 0.00 H new ATOM 733 N VAL A 47 1.875 -3.466 -9.887 1.00 0.00 N ATOM 734 CA VAL A 47 2.100 -2.010 -10.107 1.00 0.00 C ATOM 735 C VAL A 47 3.000 -1.810 -11.328 1.00 0.00 C ATOM 736 O VAL A 47 4.145 -2.215 -11.340 1.00 0.00 O ATOM 737 CB VAL A 47 2.774 -1.406 -8.873 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.808 0.117 -9.003 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.984 -1.792 -7.621 1.00 0.00 C ATOM 0 H VAL A 47 2.621 -3.950 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 47 1.143 -1.517 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 47 3.792 -1.786 -8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.288 0.547 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.370 0.394 -9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.790 0.498 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.463 -1.362 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.966 -1.412 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.959 -2.878 -7.527 1.00 0.00 H new ATOM 749 N PHE A 48 2.491 -1.188 -12.356 1.00 0.00 N ATOM 750 CA PHE A 48 3.318 -0.962 -13.575 1.00 0.00 C ATOM 751 C PHE A 48 3.867 0.465 -13.560 1.00 0.00 C ATOM 752 O PHE A 48 3.244 1.376 -13.052 1.00 0.00 O ATOM 753 CB PHE A 48 2.454 -1.164 -14.821 1.00 0.00 C ATOM 754 CG PHE A 48 1.757 -2.501 -14.741 1.00 0.00 C ATOM 755 CD1 PHE A 48 0.591 -2.638 -13.977 1.00 0.00 C ATOM 756 CD2 PHE A 48 2.277 -3.604 -15.430 1.00 0.00 C ATOM 757 CE1 PHE A 48 -0.055 -3.878 -13.903 1.00 0.00 C ATOM 758 CE2 PHE A 48 1.630 -4.843 -15.355 1.00 0.00 C ATOM 759 CZ PHE A 48 0.464 -4.981 -14.592 1.00 0.00 C ATOM 0 H PHE A 48 1.538 -0.827 -12.404 1.00 0.00 H new ATOM 0 HA PHE A 48 4.147 -1.670 -13.589 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.719 -0.363 -14.900 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.073 -1.118 -15.717 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.190 -1.788 -13.445 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.176 -3.499 -16.019 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.954 -3.984 -13.314 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.031 -5.694 -15.886 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.035 -5.937 -14.535 1.00 0.00 H new ATOM 769 N THR A 49 5.032 0.669 -14.114 1.00 0.00 N ATOM 770 CA THR A 49 5.619 2.038 -14.130 1.00 0.00 C ATOM 771 C THR A 49 6.458 2.218 -15.397 1.00 0.00 C ATOM 772 O THR A 49 6.954 1.264 -15.964 1.00 0.00 O ATOM 773 CB THR A 49 6.508 2.227 -12.898 1.00 0.00 C ATOM 774 OG1 THR A 49 7.712 2.876 -13.281 1.00 0.00 O ATOM 775 CG2 THR A 49 6.834 0.863 -12.288 1.00 0.00 C ATOM 0 H THR A 49 5.601 -0.053 -14.556 1.00 0.00 H new ATOM 0 HA THR A 49 4.818 2.777 -14.116 1.00 0.00 H new ATOM 0 HB THR A 49 5.984 2.836 -12.161 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.282 2.999 -12.493 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.467 0.999 -11.411 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.910 0.365 -11.995 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.358 0.252 -13.023 1.00 0.00 H new ATOM 783 N PRO A 50 6.614 3.438 -15.833 1.00 0.00 N ATOM 784 CA PRO A 50 7.405 3.765 -17.054 1.00 0.00 C ATOM 785 C PRO A 50 8.911 3.608 -16.827 1.00 0.00 C ATOM 786 O PRO A 50 9.404 3.767 -15.728 1.00 0.00 O ATOM 787 CB PRO A 50 7.056 5.229 -17.333 1.00 0.00 C ATOM 788 CG PRO A 50 6.636 5.796 -16.016 1.00 0.00 C ATOM 789 CD PRO A 50 6.048 4.641 -15.205 1.00 0.00 C ATOM 0 HA PRO A 50 7.168 3.096 -17.881 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.914 5.767 -17.737 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.255 5.309 -18.068 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.486 6.239 -15.497 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.899 6.587 -16.153 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.326 4.710 -14.153 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.959 4.638 -15.247 1.00 0.00 H new ATOM 911 N LEU A 60 3.754 -0.767 -20.536 1.00 0.00 N ATOM 912 CA LEU A 60 4.510 -0.064 -19.462 1.00 0.00 C ATOM 913 C LEU A 60 5.605 -0.986 -18.923 1.00 0.00 C ATOM 914 O LEU A 60 5.793 -2.088 -19.398 1.00 0.00 O ATOM 915 CB LEU A 60 3.554 0.312 -18.328 1.00 0.00 C ATOM 916 CG LEU A 60 2.486 1.270 -18.857 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.239 1.181 -17.976 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.027 2.701 -18.829 1.00 0.00 C ATOM 0 HA LEU A 60 4.964 0.840 -19.868 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.085 -0.584 -17.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.106 0.780 -17.513 1.00 0.00 H new ATOM 0 HG LEU A 60 2.228 0.997 -19.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.478 1.864 -18.353 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.853 0.162 -17.994 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.496 1.454 -16.953 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.267 3.385 -19.206 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.284 2.973 -17.805 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.916 2.766 -19.456 1.00 0.00 H new ATOM 930 N GLY A 61 6.330 -0.544 -17.931 1.00 0.00 N ATOM 931 CA GLY A 61 7.412 -1.396 -17.362 1.00 0.00 C ATOM 932 C GLY A 61 6.948 -1.993 -16.033 1.00 0.00 C ATOM 933 O GLY A 61 5.809 -1.846 -15.639 1.00 0.00 O ATOM 0 H GLY A 61 6.220 0.369 -17.491 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.667 -2.193 -18.061 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.314 -0.803 -17.211 1.00 0.00 H new ATOM 937 N ALA A 62 7.823 -2.669 -15.337 1.00 0.00 N ATOM 938 CA ALA A 62 7.431 -3.274 -14.034 1.00 0.00 C ATOM 939 C ALA A 62 8.286 -2.675 -12.915 1.00 0.00 C ATOM 940 O ALA A 62 9.368 -2.175 -13.148 1.00 0.00 O ATOM 941 CB ALA A 62 7.652 -4.787 -14.089 1.00 0.00 C ATOM 0 H ALA A 62 8.791 -2.827 -15.616 1.00 0.00 H new ATOM 0 HA ALA A 62 6.379 -3.066 -13.838 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.366 -5.231 -13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.044 -5.215 -14.886 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.704 -4.994 -14.284 1.00 0.00 H new ATOM 947 N ALA A 63 7.808 -2.721 -11.701 1.00 0.00 N ATOM 948 CA ALA A 63 8.593 -2.155 -10.569 1.00 0.00 C ATOM 949 C ALA A 63 9.182 -3.295 -9.736 1.00 0.00 C ATOM 950 O ALA A 63 9.066 -4.454 -10.084 1.00 0.00 O ATOM 951 CB ALA A 63 7.677 -1.298 -9.692 1.00 0.00 C ATOM 0 H ALA A 63 6.908 -3.126 -11.445 1.00 0.00 H new ATOM 0 HA ALA A 63 9.402 -1.538 -10.959 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.251 -0.883 -8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.260 -0.486 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.867 -1.914 -9.301 1.00 0.00 H new ATOM 957 N SER A 64 9.811 -2.977 -8.638 1.00 0.00 N ATOM 958 CA SER A 64 10.406 -4.043 -7.784 1.00 0.00 C ATOM 959 C SER A 64 10.047 -3.782 -6.320 1.00 0.00 C ATOM 960 O SER A 64 9.819 -2.660 -5.917 1.00 0.00 O ATOM 961 CB SER A 64 11.926 -4.036 -7.946 1.00 0.00 C ATOM 962 OG SER A 64 12.504 -4.908 -6.982 1.00 0.00 O ATOM 0 H SER A 64 9.939 -2.025 -8.295 1.00 0.00 H new ATOM 0 HA SER A 64 10.013 -5.014 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.198 -4.356 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.313 -3.025 -7.817 1.00 0.00 H new ATOM 0 HG SER A 64 13.479 -4.908 -7.084 1.00 0.00 H new ATOM 968 N LYS A 65 9.995 -4.813 -5.520 1.00 0.00 N ATOM 969 CA LYS A 65 9.652 -4.622 -4.083 1.00 0.00 C ATOM 970 C LYS A 65 10.405 -3.409 -3.535 1.00 0.00 C ATOM 971 O LYS A 65 10.003 -2.805 -2.560 1.00 0.00 O ATOM 972 CB LYS A 65 10.051 -5.871 -3.293 1.00 0.00 C ATOM 973 CG LYS A 65 9.117 -7.026 -3.657 1.00 0.00 C ATOM 974 CD LYS A 65 7.907 -7.020 -2.720 1.00 0.00 C ATOM 975 CE LYS A 65 6.879 -8.043 -3.206 1.00 0.00 C ATOM 976 NZ LYS A 65 5.875 -7.366 -4.074 1.00 0.00 N ATOM 0 H LYS A 65 10.175 -5.777 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 65 8.579 -4.457 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.083 -6.140 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.998 -5.670 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.789 -6.930 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.647 -7.975 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.220 -7.258 -1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.461 -6.026 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.376 -8.839 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.384 -8.509 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.176 -8.062 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.393 -6.622 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.355 -6.941 -4.893 1.00 0.00 H new ATOM 990 N ALA A 66 11.495 -3.047 -4.154 1.00 0.00 N ATOM 991 CA ALA A 66 12.272 -1.872 -3.666 1.00 0.00 C ATOM 992 C ALA A 66 11.575 -0.583 -4.104 1.00 0.00 C ATOM 993 O ALA A 66 11.333 0.303 -3.309 1.00 0.00 O ATOM 994 CB ALA A 66 13.683 -1.916 -4.257 1.00 0.00 C ATOM 0 H ALA A 66 11.881 -3.513 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 66 12.332 -1.900 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.253 -1.058 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.179 -2.835 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.623 -1.886 -5.345 1.00 0.00 H new ATOM 1000 N GLN A 67 11.251 -0.471 -5.363 1.00 0.00 N ATOM 1001 CA GLN A 67 10.569 0.762 -5.850 1.00 0.00 C ATOM 1002 C GLN A 67 9.287 0.986 -5.046 1.00 0.00 C ATOM 1003 O GLN A 67 8.983 2.090 -4.640 1.00 0.00 O ATOM 1004 CB GLN A 67 10.222 0.601 -7.331 1.00 0.00 C ATOM 1005 CG GLN A 67 9.812 1.956 -7.911 1.00 0.00 C ATOM 1006 CD GLN A 67 9.991 1.938 -9.429 1.00 0.00 C ATOM 1007 OE1 GLN A 67 9.074 2.247 -10.164 1.00 0.00 O ATOM 1008 NE2 GLN A 67 11.141 1.586 -9.934 1.00 0.00 N ATOM 0 H GLN A 67 11.429 -1.179 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 67 11.231 1.619 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.080 0.205 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.411 -0.117 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.774 2.172 -7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.418 2.749 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.911 1.327 -9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.270 1.570 -10.946 1.00 0.00 H new ATOM 1017 N VAL A 68 8.530 -0.052 -4.814 1.00 0.00 N ATOM 1018 CA VAL A 68 7.268 0.104 -4.038 1.00 0.00 C ATOM 1019 C VAL A 68 7.604 0.355 -2.567 1.00 0.00 C ATOM 1020 O VAL A 68 6.804 0.883 -1.819 1.00 0.00 O ATOM 1021 CB VAL A 68 6.434 -1.172 -4.160 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.138 -1.014 -3.363 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.098 -1.421 -5.633 1.00 0.00 C ATOM 0 H VAL A 68 8.732 -1.001 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 68 6.700 0.948 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 68 7.001 -2.016 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.544 -1.924 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.375 -0.835 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.570 -0.171 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.503 -2.330 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.531 -0.577 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.020 -1.534 -6.203 1.00 0.00 H new ATOM 1033 N GLU A 69 8.780 -0.020 -2.143 1.00 0.00 N ATOM 1034 CA GLU A 69 9.165 0.197 -0.721 1.00 0.00 C ATOM 1035 C GLU A 69 9.671 1.630 -0.543 1.00 0.00 C ATOM 1036 O GLU A 69 9.122 2.402 0.219 1.00 0.00 O ATOM 1037 CB GLU A 69 10.272 -0.787 -0.337 1.00 0.00 C ATOM 1038 CG GLU A 69 9.669 -1.953 0.450 1.00 0.00 C ATOM 1039 CD GLU A 69 10.679 -3.100 0.518 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.821 -2.880 0.150 1.00 0.00 O ATOM 1041 OE2 GLU A 69 10.293 -4.179 0.937 1.00 0.00 O ATOM 0 H GLU A 69 9.491 -0.468 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 69 8.298 0.036 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.770 -1.158 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.029 -0.283 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.404 -1.628 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.750 -2.292 -0.028 1.00 0.00 H new ATOM 1048 N ASN A 70 10.715 1.990 -1.237 1.00 0.00 N ATOM 1049 CA ASN A 70 11.255 3.372 -1.106 1.00 0.00 C ATOM 1050 C ASN A 70 10.097 4.370 -1.041 1.00 0.00 C ATOM 1051 O ASN A 70 10.187 5.399 -0.403 1.00 0.00 O ATOM 1052 CB ASN A 70 12.136 3.693 -2.316 1.00 0.00 C ATOM 1053 CG ASN A 70 13.371 4.470 -1.857 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.334 5.679 -1.743 1.00 0.00 O ATOM 1055 ND2 ASN A 70 14.472 3.824 -1.587 1.00 0.00 N ATOM 0 H ASN A 70 11.217 1.387 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 70 11.848 3.444 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.438 2.772 -2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.574 4.279 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.300 4.334 -1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.504 2.809 -1.682 1.00 0.00 H new ATOM 1062 N GLU A 71 9.009 4.073 -1.696 1.00 0.00 N ATOM 1063 CA GLU A 71 7.846 5.005 -1.671 1.00 0.00 C ATOM 1064 C GLU A 71 7.039 4.778 -0.391 1.00 0.00 C ATOM 1065 O GLU A 71 7.133 5.534 0.555 1.00 0.00 O ATOM 1066 CB GLU A 71 6.956 4.743 -2.888 1.00 0.00 C ATOM 1067 CG GLU A 71 7.735 5.054 -4.167 1.00 0.00 C ATOM 1068 CD GLU A 71 7.711 6.561 -4.426 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.639 7.307 -3.463 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.766 6.944 -5.583 1.00 0.00 O ATOM 0 H GLU A 71 8.875 3.226 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 71 8.204 6.034 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.627 3.704 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.060 5.361 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.764 4.707 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.296 4.522 -5.011 1.00 0.00 H new ATOM 1077 N PHE A 72 6.247 3.742 -0.353 1.00 0.00 N ATOM 1078 CA PHE A 72 5.435 3.469 0.867 1.00 0.00 C ATOM 1079 C PHE A 72 6.350 2.968 1.986 1.00 0.00 C ATOM 1080 O PHE A 72 6.300 3.446 3.103 1.00 0.00 O ATOM 1081 CB PHE A 72 4.384 2.403 0.552 1.00 0.00 C ATOM 1082 CG PHE A 72 3.462 2.909 -0.533 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.554 3.937 -0.255 1.00 0.00 C ATOM 1084 CD2 PHE A 72 3.517 2.349 -1.814 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.700 4.406 -1.261 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.663 2.819 -2.820 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.755 3.846 -2.543 1.00 0.00 C ATOM 0 H PHE A 72 6.127 3.073 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 72 4.938 4.385 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.870 1.482 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.812 2.165 1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.512 4.368 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.217 1.555 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.999 5.200 -1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.706 2.388 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.096 4.207 -3.318 1.00 0.00 H new ATOM 1097 N GLY A 73 7.186 2.009 1.697 1.00 0.00 N ATOM 1098 CA GLY A 73 8.103 1.478 2.746 1.00 0.00 C ATOM 1099 C GLY A 73 7.684 0.056 3.121 1.00 0.00 C ATOM 1100 O GLY A 73 6.525 -0.300 3.049 1.00 0.00 O ATOM 0 H GLY A 73 7.274 1.570 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.130 1.481 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.076 2.120 3.626 1.00 0.00 H new ATOM 1104 N LYS A 74 8.620 -0.762 3.519 1.00 0.00 N ATOM 1105 CA LYS A 74 8.275 -2.162 3.897 1.00 0.00 C ATOM 1106 C LYS A 74 7.376 -2.149 5.136 1.00 0.00 C ATOM 1107 O LYS A 74 7.300 -1.168 5.849 1.00 0.00 O ATOM 1108 CB LYS A 74 9.557 -2.938 4.206 1.00 0.00 C ATOM 1109 CG LYS A 74 9.280 -4.440 4.116 1.00 0.00 C ATOM 1110 CD LYS A 74 10.383 -5.207 4.846 1.00 0.00 C ATOM 1111 CE LYS A 74 10.022 -5.339 6.327 1.00 0.00 C ATOM 1112 NZ LYS A 74 9.438 -6.686 6.578 1.00 0.00 N ATOM 0 H LYS A 74 9.608 -0.522 3.599 1.00 0.00 H new ATOM 0 HA LYS A 74 7.750 -2.642 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.342 -2.660 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.917 -2.683 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.310 -4.669 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.236 -4.751 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.508 -6.195 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.335 -4.686 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.910 -5.195 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.310 -4.564 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.193 -6.776 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.581 -6.806 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.132 -7.418 6.324 1.00 0.00 H new ATOM 1126 N GLY A 75 6.694 -3.230 5.397 1.00 0.00 N ATOM 1127 CA GLY A 75 5.801 -3.279 6.590 1.00 0.00 C ATOM 1128 C GLY A 75 4.352 -3.464 6.137 1.00 0.00 C ATOM 1129 O GLY A 75 3.503 -3.884 6.898 1.00 0.00 O ATOM 0 H GLY A 75 6.716 -4.082 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.096 -4.099 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.898 -2.360 7.168 1.00 0.00 H new ATOM 1133 N LYS A 76 4.061 -3.155 4.902 1.00 0.00 N ATOM 1134 CA LYS A 76 2.667 -3.313 4.403 1.00 0.00 C ATOM 1135 C LYS A 76 2.644 -4.345 3.273 1.00 0.00 C ATOM 1136 O LYS A 76 3.667 -4.868 2.877 1.00 0.00 O ATOM 1137 CB LYS A 76 2.157 -1.970 3.878 1.00 0.00 C ATOM 1138 CG LYS A 76 1.898 -1.027 5.055 1.00 0.00 C ATOM 1139 CD LYS A 76 1.008 0.130 4.597 1.00 0.00 C ATOM 1140 CE LYS A 76 1.140 1.295 5.578 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.947 2.381 4.953 1.00 0.00 N ATOM 0 H LYS A 76 4.729 -2.800 4.218 1.00 0.00 H new ATOM 0 HA LYS A 76 2.026 -3.651 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.889 -1.531 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.240 -2.115 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.417 -1.569 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.842 -0.643 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.296 0.450 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.031 -0.196 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.153 1.670 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.616 0.957 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.037 3.174 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.893 2.018 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.475 2.709 4.086 1.00 0.00 H new ATOM 1155 N LYS A 77 1.486 -4.642 2.751 1.00 0.00 N ATOM 1156 CA LYS A 77 1.399 -5.640 1.649 1.00 0.00 C ATOM 1157 C LYS A 77 0.999 -4.934 0.352 1.00 0.00 C ATOM 1158 O LYS A 77 0.852 -3.729 0.310 1.00 0.00 O ATOM 1159 CB LYS A 77 0.349 -6.697 1.998 1.00 0.00 C ATOM 1160 CG LYS A 77 0.531 -7.139 3.452 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.515 -8.200 3.798 1.00 0.00 C ATOM 1162 CE LYS A 77 0.122 -9.276 4.679 1.00 0.00 C ATOM 1163 NZ LYS A 77 -0.909 -10.284 5.055 1.00 0.00 N ATOM 0 H LYS A 77 0.596 -4.236 3.040 1.00 0.00 H new ATOM 0 HA LYS A 77 2.368 -6.121 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.652 -6.292 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.445 -7.554 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.534 -7.541 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.430 -6.283 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.356 -7.741 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.909 -8.648 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.941 -9.759 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.547 -8.823 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.477 -11.016 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.677 -9.817 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.294 -10.724 4.195 1.00 0.00 H new ATOM 1177 N ILE A 78 0.823 -5.675 -0.708 1.00 0.00 N ATOM 1178 CA ILE A 78 0.434 -5.047 -2.001 1.00 0.00 C ATOM 1179 C ILE A 78 -1.040 -4.635 -1.944 1.00 0.00 C ATOM 1180 O ILE A 78 -1.485 -3.782 -2.686 1.00 0.00 O ATOM 1181 CB ILE A 78 0.639 -6.049 -3.139 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.445 -5.341 -4.482 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.377 -7.184 -3.010 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.577 -4.336 -4.699 1.00 0.00 C ATOM 0 H ILE A 78 0.932 -6.689 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 78 1.052 -4.167 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 78 1.648 -6.458 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.433 -6.071 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.517 -4.830 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.230 -7.897 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.239 -7.688 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.387 -6.776 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.438 -3.832 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.568 -3.599 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.533 -4.859 -4.700 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.799 -5.236 -1.070 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.243 -4.879 -0.967 1.00 0.00 C ATOM 1198 C GLU A 79 -3.385 -3.538 -0.245 1.00 0.00 C ATOM 1199 O GLU A 79 -4.035 -2.630 -0.723 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.981 -5.963 -0.179 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.264 -7.303 -0.357 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.245 -8.446 -0.091 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -4.578 -8.659 1.063 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -4.648 -9.089 -1.046 1.00 0.00 O ATOM 0 H GLU A 79 -1.483 -5.958 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.671 -4.801 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.019 -5.697 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.011 -6.041 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.863 -7.382 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.418 -7.369 0.328 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.782 -3.406 0.905 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.883 -2.123 1.656 1.00 0.00 C ATOM 1213 C GLU A 80 -2.235 -1.002 0.842 1.00 0.00 C ATOM 1214 O GLU A 80 -2.662 0.136 0.884 1.00 0.00 O ATOM 1215 CB GLU A 80 -2.161 -2.260 2.999 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.513 -3.608 3.633 1.00 0.00 C ATOM 1217 CD GLU A 80 -2.300 -3.532 5.145 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -2.394 -2.440 5.684 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -2.045 -4.565 5.741 1.00 0.00 O ATOM 0 H GLU A 80 -2.224 -4.131 1.357 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.933 -1.886 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.083 -2.185 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.451 -1.447 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.549 -3.865 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.892 -4.396 3.207 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.208 -1.312 0.099 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.536 -0.264 -0.718 1.00 0.00 C ATOM 1228 C VAL A 81 -1.497 0.235 -1.799 1.00 0.00 C ATOM 1229 O VAL A 81 -1.806 1.408 -1.876 1.00 0.00 O ATOM 1230 CB VAL A 81 0.713 -0.854 -1.377 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.048 -0.060 -2.640 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.889 -0.776 -0.400 1.00 0.00 C ATOM 0 H VAL A 81 -0.806 -2.246 0.023 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.249 0.569 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 81 0.527 -1.895 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.938 -0.481 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.211 -0.114 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.235 0.981 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.779 -1.196 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.074 0.265 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.652 -1.342 0.501 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.973 -0.646 -2.636 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.913 -0.222 -3.711 1.00 0.00 C ATOM 1244 C ILE A 82 -4.027 0.634 -3.106 1.00 0.00 C ATOM 1245 O ILE A 82 -4.624 1.455 -3.774 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.523 -1.459 -4.372 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.480 -2.121 -5.275 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.733 -1.046 -5.211 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.841 -3.593 -5.479 1.00 0.00 C ATOM 0 H ILE A 82 -1.751 -1.641 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.372 0.360 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.838 -2.163 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.439 -1.609 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.490 -2.037 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.167 -1.928 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.477 -0.574 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.419 -0.341 -5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.098 -4.064 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.860 -4.100 -4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.823 -3.665 -5.946 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.312 0.452 -1.845 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.386 1.256 -1.200 1.00 0.00 C ATOM 1263 C ASP A 83 -4.966 2.727 -1.154 1.00 0.00 C ATOM 1264 O ASP A 83 -5.600 3.581 -1.740 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.619 0.747 0.225 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.861 1.421 0.811 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.196 2.502 0.354 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.456 0.845 1.707 1.00 0.00 O ATOM 0 H ASP A 83 -3.846 -0.219 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.307 1.159 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.748 -0.335 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.749 0.961 0.846 1.00 0.00 H new ATOM 1273 N LEU A 84 -3.901 3.029 -0.463 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.443 4.444 -0.382 1.00 0.00 C ATOM 1275 C LEU A 84 -3.512 5.081 -1.771 1.00 0.00 C ATOM 1276 O LEU A 84 -3.767 6.261 -1.911 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.000 4.485 0.127 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.929 3.848 1.516 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.498 3.942 2.048 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.875 4.588 2.464 1.00 0.00 C ATOM 0 H LEU A 84 -3.329 2.357 0.049 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.086 4.996 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.345 3.953 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.648 5.516 0.170 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.224 2.801 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.447 3.488 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.177 3.416 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.202 4.989 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.825 4.135 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.579 5.635 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.895 4.522 2.085 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.287 4.310 -2.799 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.341 4.873 -4.179 1.00 0.00 C ATOM 1294 C ILE A 85 -4.782 5.260 -4.515 1.00 0.00 C ATOM 1295 O ILE A 85 -5.052 6.354 -4.969 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.848 3.824 -5.177 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.318 3.855 -5.233 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.414 4.132 -6.564 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.785 2.432 -5.410 1.00 0.00 C ATOM 0 H ILE A 85 -3.068 3.315 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.705 5.756 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.182 2.836 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.986 4.484 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.919 4.293 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.062 3.384 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.503 4.112 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.080 5.120 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.304 2.454 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.105 1.816 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.174 2.011 -6.337 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.712 4.370 -4.297 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.135 4.688 -4.604 1.00 0.00 C ATOM 1313 C LEU A 86 -7.626 5.789 -3.662 1.00 0.00 C ATOM 1314 O LEU A 86 -8.684 6.354 -3.851 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.990 3.434 -4.415 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.566 2.368 -5.426 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.402 1.105 -5.216 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.788 2.895 -6.845 1.00 0.00 C ATOM 0 H LEU A 86 -5.547 3.437 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.217 5.030 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.876 3.053 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.044 3.677 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.511 2.133 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.100 0.345 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.246 0.729 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.457 1.340 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.486 2.136 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.843 3.129 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.193 3.796 -6.996 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.866 6.095 -2.646 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.291 7.159 -1.692 1.00 0.00 C ATOM 1332 C ARG A 87 -7.034 8.534 -2.312 1.00 0.00 C ATOM 1333 O ARG A 87 -7.688 9.504 -1.986 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.493 7.027 -0.393 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.266 7.686 0.751 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.543 7.423 2.073 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.516 7.519 3.198 1.00 0.00 N ATOM 1338 CZ ARG A 87 -7.202 7.047 4.374 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -6.037 6.493 4.564 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -8.055 7.130 5.359 1.00 0.00 N ATOM 0 H ARG A 87 -5.970 5.655 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.354 7.051 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.316 5.975 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.516 7.498 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.350 8.759 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.281 7.290 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.084 6.435 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.739 8.146 2.210 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.427 7.953 3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.371 6.429 3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.791 6.124 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.966 7.563 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.810 6.761 6.278 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.085 8.626 -3.203 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.787 9.938 -3.842 1.00 0.00 C ATOM 1356 C ASN A 88 -6.382 9.966 -5.251 1.00 0.00 C ATOM 1357 O ASN A 88 -7.307 10.704 -5.531 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.272 10.134 -3.924 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.822 11.105 -2.831 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.657 10.720 -1.690 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.615 12.357 -3.133 1.00 0.00 N ATOM 0 H ASN A 88 -5.503 7.849 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.225 10.739 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.764 9.177 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.998 10.522 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.315 13.013 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.753 12.680 -4.090 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.859 9.168 -6.141 1.00 0.00 N ATOM 1369 CA GLY A 89 -6.396 9.150 -7.531 1.00 0.00 C ATOM 1370 C GLY A 89 -6.139 10.502 -8.196 1.00 0.00 C ATOM 1371 O GLY A 89 -6.513 11.538 -7.682 1.00 0.00 O ATOM 0 H GLY A 89 -5.084 8.528 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.921 8.355 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.465 8.938 -7.516 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.504 10.503 -9.336 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.224 11.790 -10.033 1.00 0.00 C ATOM 1377 C LYS A 90 -5.394 11.601 -11.541 1.00 0.00 C ATOM 1378 O LYS A 90 -4.543 11.978 -12.322 1.00 0.00 O ATOM 1379 CB LYS A 90 -3.791 12.233 -9.732 1.00 0.00 C ATOM 1380 CG LYS A 90 -3.616 12.407 -8.221 1.00 0.00 C ATOM 1381 CD LYS A 90 -2.293 13.121 -7.939 1.00 0.00 C ATOM 1382 CE LYS A 90 -1.647 12.524 -6.687 1.00 0.00 C ATOM 1383 NZ LYS A 90 -2.542 12.742 -5.515 1.00 0.00 N ATOM 0 H LYS A 90 -5.167 9.668 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.920 12.552 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.084 11.493 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.574 13.170 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.446 12.983 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.629 11.435 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.622 13.017 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.466 14.188 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.469 11.458 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.677 12.988 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.104 12.337 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.690 13.762 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.458 12.280 -5.687 1.00 0.00 H new