USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 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 1 MET N :NH3+ 179:sc= 0.651 (180deg=0.543) USER MOD Set 1.2: A 22 THR OG1 : rot -160:sc= 0.116 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.045 (180deg=-0.828) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 4 THR OG1 : rot -17:sc= 0.335 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.231 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 38 THR OG1 : rot 173:sc= -0.528 USER MOD Single : A 50 GLN : amide:sc= -0.147 K(o=-0.15,f=-3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.691 7.421 -4.356 1.00 0.00 N ATOM 2 CA MET A 1 3.661 6.486 -4.988 1.00 0.00 C ATOM 3 C MET A 1 3.553 5.082 -4.382 1.00 0.00 C ATOM 4 O MET A 1 2.572 4.766 -3.705 1.00 0.00 O ATOM 5 CB MET A 1 5.074 7.058 -4.805 1.00 0.00 C ATOM 6 CG MET A 1 5.548 7.094 -3.360 1.00 0.00 C ATOM 7 SD MET A 1 7.334 6.888 -3.212 1.00 0.00 S ATOM 8 CE MET A 1 7.922 8.110 -4.384 1.00 0.00 C ATOM 0 H1 MET A 1 2.798 8.367 -4.774 1.00 0.00 H new ATOM 0 H2 MET A 1 1.723 7.079 -4.518 1.00 0.00 H new ATOM 0 H3 MET A 1 2.873 7.471 -3.333 1.00 0.00 H new ATOM 0 HA MET A 1 3.437 6.390 -6.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.774 6.462 -5.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.100 8.070 -5.210 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.257 8.043 -2.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.047 6.306 -2.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.988 8.279 -4.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.755 7.750 -5.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.381 9.045 -4.237 1.00 0.00 H new ATOM 20 N ASN A 2 4.563 4.243 -4.627 1.00 0.00 N ATOM 21 CA ASN A 2 4.572 2.879 -4.103 1.00 0.00 C ATOM 22 C ASN A 2 5.122 2.853 -2.679 1.00 0.00 C ATOM 23 O ASN A 2 5.964 3.677 -2.315 1.00 0.00 O ATOM 24 CB ASN A 2 5.409 1.958 -4.999 1.00 0.00 C ATOM 25 CG ASN A 2 4.907 1.922 -6.431 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.713 1.755 -6.679 1.00 0.00 O ATOM 27 ND2 ASN A 2 5.821 2.071 -7.386 1.00 0.00 N ATOM 0 H ASN A 2 5.382 4.486 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 2 3.544 2.518 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.446 2.293 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.397 0.948 -4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.542 2.049 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.801 2.207 -7.137 1.00 0.00 H new ATOM 34 N VAL A 3 4.636 1.907 -1.877 1.00 0.00 N ATOM 35 CA VAL A 3 5.071 1.777 -0.488 1.00 0.00 C ATOM 36 C VAL A 3 5.325 0.315 -0.120 1.00 0.00 C ATOM 37 O VAL A 3 4.571 -0.576 -0.518 1.00 0.00 O ATOM 38 CB VAL A 3 4.040 2.381 0.492 1.00 0.00 C ATOM 39 CG1 VAL A 3 3.908 3.882 0.277 1.00 0.00 C ATOM 40 CG2 VAL A 3 2.685 1.697 0.355 1.00 0.00 C ATOM 0 H VAL A 3 3.940 1.219 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 3 6.004 2.334 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 3 4.402 2.209 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.177 4.287 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.874 4.360 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.579 4.076 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.980 2.143 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.314 1.824 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.790 0.634 0.572 1.00 0.00 H new ATOM 50 N THR A 4 6.389 0.075 0.648 1.00 0.00 N ATOM 51 CA THR A 4 6.732 -1.280 1.072 1.00 0.00 C ATOM 52 C THR A 4 5.777 -1.735 2.169 1.00 0.00 C ATOM 53 O THR A 4 5.637 -1.069 3.198 1.00 0.00 O ATOM 54 CB THR A 4 8.182 -1.352 1.574 1.00 0.00 C ATOM 55 OG1 THR A 4 9.076 -0.766 0.639 1.00 0.00 O ATOM 56 CG2 THR A 4 8.657 -2.769 1.827 1.00 0.00 C ATOM 0 H THR A 4 7.024 0.798 0.987 1.00 0.00 H new ATOM 0 HA THR A 4 6.638 -1.942 0.211 1.00 0.00 H new ATOM 0 HB THR A 4 8.183 -0.804 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.635 -0.692 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.688 -2.750 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.024 -3.236 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.601 -3.342 0.902 1.00 0.00 H new ATOM 64 N VAL A 5 5.108 -2.860 1.936 1.00 0.00 N ATOM 65 CA VAL A 5 4.150 -3.389 2.896 1.00 0.00 C ATOM 66 C VAL A 5 4.562 -4.768 3.405 1.00 0.00 C ATOM 67 O VAL A 5 4.967 -5.636 2.627 1.00 0.00 O ATOM 68 CB VAL A 5 2.730 -3.461 2.290 1.00 0.00 C ATOM 69 CG1 VAL A 5 2.189 -2.060 2.037 1.00 0.00 C ATOM 70 CG2 VAL A 5 2.720 -4.278 1.004 1.00 0.00 C ATOM 0 H VAL A 5 5.213 -3.421 1.091 1.00 0.00 H new ATOM 0 HA VAL A 5 4.139 -2.700 3.740 1.00 0.00 H new ATOM 0 HB VAL A 5 2.082 -3.962 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.188 -2.128 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.146 -1.511 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.845 -1.537 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.708 -4.311 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.386 -3.817 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.059 -5.292 1.215 1.00 0.00 H new ATOM 80 N GLU A 6 4.452 -4.963 4.717 1.00 0.00 N ATOM 81 CA GLU A 6 4.808 -6.236 5.330 1.00 0.00 C ATOM 82 C GLU A 6 3.664 -7.232 5.183 1.00 0.00 C ATOM 83 O GLU A 6 2.584 -7.043 5.749 1.00 0.00 O ATOM 84 CB GLU A 6 5.153 -6.041 6.811 1.00 0.00 C ATOM 85 CG GLU A 6 5.645 -7.307 7.502 1.00 0.00 C ATOM 86 CD GLU A 6 5.895 -7.113 8.989 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.383 -6.029 9.378 1.00 0.00 O ATOM 88 OE2 GLU A 6 5.601 -8.047 9.764 1.00 0.00 O ATOM 0 H GLU A 6 4.120 -4.256 5.373 1.00 0.00 H new ATOM 0 HA GLU A 6 5.685 -6.632 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.919 -5.271 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.271 -5.673 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.910 -8.099 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.567 -7.640 7.025 1.00 0.00 H new ATOM 95 N VAL A 7 3.911 -8.292 4.420 1.00 0.00 N ATOM 96 CA VAL A 7 2.913 -9.326 4.192 1.00 0.00 C ATOM 97 C VAL A 7 2.938 -10.350 5.317 1.00 0.00 C ATOM 98 O VAL A 7 4.007 -10.798 5.737 1.00 0.00 O ATOM 99 CB VAL A 7 3.115 -10.048 2.841 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.904 -9.084 1.684 1.00 0.00 C ATOM 101 CG2 VAL A 7 4.494 -10.691 2.765 1.00 0.00 C ATOM 0 H VAL A 7 4.800 -8.456 3.947 1.00 0.00 H new ATOM 0 HA VAL A 7 1.945 -8.826 4.167 1.00 0.00 H new ATOM 0 HB VAL A 7 2.372 -10.842 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.050 -9.610 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.891 -8.685 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.620 -8.265 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.609 -11.192 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.260 -9.922 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.601 -11.419 3.569 1.00 0.00 H new ATOM 111 N VAL A 8 1.757 -10.710 5.808 1.00 0.00 N ATOM 112 CA VAL A 8 1.651 -11.680 6.895 1.00 0.00 C ATOM 113 C VAL A 8 2.340 -12.989 6.504 1.00 0.00 C ATOM 114 O VAL A 8 1.983 -13.618 5.506 1.00 0.00 O ATOM 115 CB VAL A 8 0.177 -11.967 7.265 1.00 0.00 C ATOM 116 CG1 VAL A 8 0.093 -12.874 8.485 1.00 0.00 C ATOM 117 CG2 VAL A 8 -0.579 -10.667 7.510 1.00 0.00 C ATOM 0 H VAL A 8 0.864 -10.348 5.474 1.00 0.00 H new ATOM 0 HA VAL A 8 2.144 -11.248 7.766 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.290 -12.482 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.953 -13.062 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.592 -13.819 8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.580 -12.391 9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.614 -10.891 7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.110 -10.122 8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.555 -10.056 6.607 1.00 0.00 H new ATOM 127 N GLY A 9 3.343 -13.375 7.293 1.00 0.00 N ATOM 128 CA GLY A 9 4.094 -14.588 7.020 1.00 0.00 C ATOM 129 C GLY A 9 5.576 -14.307 6.832 1.00 0.00 C ATOM 130 O GLY A 9 6.237 -13.820 7.750 1.00 0.00 O ATOM 0 H GLY A 9 3.649 -12.864 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.959 -15.291 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.699 -15.066 6.124 1.00 0.00 H new ATOM 134 N GLU A 10 6.096 -14.610 5.641 1.00 0.00 N ATOM 135 CA GLU A 10 7.508 -14.382 5.337 1.00 0.00 C ATOM 136 C GLU A 10 7.674 -13.440 4.141 1.00 0.00 C ATOM 137 O GLU A 10 6.776 -13.322 3.304 1.00 0.00 O ATOM 138 CB GLU A 10 8.210 -15.715 5.056 1.00 0.00 C ATOM 139 CG GLU A 10 9.632 -15.783 5.594 1.00 0.00 C ATOM 140 CD GLU A 10 10.499 -16.768 4.833 1.00 0.00 C ATOM 141 OE1 GLU A 10 11.135 -16.355 3.840 1.00 0.00 O ATOM 142 OE2 GLU A 10 10.542 -17.951 5.229 1.00 0.00 O ATOM 0 H GLU A 10 5.560 -15.013 4.873 1.00 0.00 H new ATOM 0 HA GLU A 10 7.967 -13.910 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.626 -16.523 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.230 -15.885 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.084 -14.792 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.605 -16.066 6.646 1.00 0.00 H new ATOM 149 N GLU A 11 8.840 -12.783 4.066 1.00 0.00 N ATOM 150 CA GLU A 11 9.160 -11.856 2.972 1.00 0.00 C ATOM 151 C GLU A 11 8.337 -10.564 3.045 1.00 0.00 C ATOM 152 O GLU A 11 7.327 -10.492 3.747 1.00 0.00 O ATOM 153 CB GLU A 11 8.944 -12.538 1.614 1.00 0.00 C ATOM 154 CG GLU A 11 10.208 -12.649 0.770 1.00 0.00 C ATOM 155 CD GLU A 11 10.405 -11.473 -0.172 1.00 0.00 C ATOM 156 OE1 GLU A 11 9.403 -10.979 -0.733 1.00 0.00 O ATOM 157 OE2 GLU A 11 11.565 -11.048 -0.352 1.00 0.00 O ATOM 0 H GLU A 11 9.584 -12.878 4.758 1.00 0.00 H new ATOM 0 HA GLU A 11 10.210 -11.583 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.541 -13.537 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.193 -11.981 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.072 -12.726 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.169 -13.570 0.188 1.00 0.00 H new ATOM 164 N THR A 12 8.784 -9.549 2.299 1.00 0.00 N ATOM 165 CA THR A 12 8.106 -8.250 2.247 1.00 0.00 C ATOM 166 C THR A 12 7.726 -7.916 0.804 1.00 0.00 C ATOM 167 O THR A 12 8.525 -8.110 -0.112 1.00 0.00 O ATOM 168 CB THR A 12 8.998 -7.144 2.826 1.00 0.00 C ATOM 169 OG1 THR A 12 9.797 -7.639 3.888 1.00 0.00 O ATOM 170 CG2 THR A 12 8.212 -5.963 3.358 1.00 0.00 C ATOM 0 H THR A 12 9.620 -9.604 1.718 1.00 0.00 H new ATOM 0 HA THR A 12 7.201 -8.311 2.851 1.00 0.00 H new ATOM 0 HB THR A 12 9.617 -6.809 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.358 -6.916 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.900 -5.216 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.624 -5.524 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.545 -6.298 4.152 1.00 0.00 H new ATOM 178 N SER A 13 6.499 -7.433 0.604 1.00 0.00 N ATOM 179 CA SER A 13 6.018 -7.098 -0.736 1.00 0.00 C ATOM 180 C SER A 13 5.774 -5.601 -0.896 1.00 0.00 C ATOM 181 O SER A 13 5.663 -4.866 0.086 1.00 0.00 O ATOM 182 CB SER A 13 4.732 -7.875 -1.047 1.00 0.00 C ATOM 183 OG SER A 13 3.586 -7.223 -0.519 1.00 0.00 O ATOM 0 H SER A 13 5.823 -7.266 1.349 1.00 0.00 H new ATOM 0 HA SER A 13 6.796 -7.384 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.624 -7.984 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.804 -8.880 -0.631 1.00 0.00 H new ATOM 0 HG SER A 13 2.784 -7.743 -0.736 1.00 0.00 H new ATOM 189 N GLU A 14 5.680 -5.162 -2.149 1.00 0.00 N ATOM 190 CA GLU A 14 5.432 -3.762 -2.457 1.00 0.00 C ATOM 191 C GLU A 14 4.051 -3.602 -3.079 1.00 0.00 C ATOM 192 O GLU A 14 3.748 -4.210 -4.109 1.00 0.00 O ATOM 193 CB GLU A 14 6.507 -3.228 -3.404 1.00 0.00 C ATOM 194 CG GLU A 14 7.886 -3.153 -2.768 1.00 0.00 C ATOM 195 CD GLU A 14 8.382 -1.727 -2.620 1.00 0.00 C ATOM 196 OE1 GLU A 14 7.649 -0.898 -2.040 1.00 0.00 O ATOM 197 OE2 GLU A 14 9.502 -1.438 -3.087 1.00 0.00 O ATOM 0 H GLU A 14 5.773 -5.762 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 14 5.470 -3.186 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.555 -3.868 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.218 -2.234 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.856 -3.627 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.593 -3.719 -3.374 1.00 0.00 H new ATOM 204 N VAL A 15 3.213 -2.792 -2.440 1.00 0.00 N ATOM 205 CA VAL A 15 1.854 -2.559 -2.918 1.00 0.00 C ATOM 206 C VAL A 15 1.560 -1.063 -3.017 1.00 0.00 C ATOM 207 O VAL A 15 2.107 -0.262 -2.256 1.00 0.00 O ATOM 208 CB VAL A 15 0.815 -3.230 -1.985 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.609 -2.987 -2.472 1.00 0.00 C ATOM 210 CG2 VAL A 15 1.087 -4.723 -1.866 1.00 0.00 C ATOM 0 H VAL A 15 3.452 -2.285 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 15 1.776 -3.002 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 15 0.914 -2.776 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.313 -3.471 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.807 -1.915 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.726 -3.400 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.347 -5.176 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.025 -5.184 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.084 -4.880 -1.454 1.00 0.00 H new ATOM 220 N ALA A 16 0.683 -0.696 -3.950 1.00 0.00 N ATOM 221 CA ALA A 16 0.308 0.698 -4.137 1.00 0.00 C ATOM 222 C ALA A 16 -0.805 1.073 -3.168 1.00 0.00 C ATOM 223 O ALA A 16 -1.691 0.265 -2.886 1.00 0.00 O ATOM 224 CB ALA A 16 -0.124 0.948 -5.576 1.00 0.00 C ATOM 0 H ALA A 16 0.221 -1.346 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 16 1.175 1.325 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.401 1.995 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.699 0.711 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.981 0.317 -5.814 1.00 0.00 H new ATOM 230 N VAL A 17 -0.749 2.295 -2.655 1.00 0.00 N ATOM 231 CA VAL A 17 -1.749 2.769 -1.699 1.00 0.00 C ATOM 232 C VAL A 17 -2.564 3.933 -2.253 1.00 0.00 C ATOM 233 O VAL A 17 -2.198 4.545 -3.258 1.00 0.00 O ATOM 234 CB VAL A 17 -1.103 3.211 -0.362 1.00 0.00 C ATOM 235 CG1 VAL A 17 -0.796 2.003 0.510 1.00 0.00 C ATOM 236 CG2 VAL A 17 0.155 4.040 -0.603 1.00 0.00 C ATOM 0 H VAL A 17 -0.025 2.977 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.411 1.922 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.820 3.841 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.343 2.334 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.720 1.466 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.105 1.342 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.585 4.335 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.881 3.447 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.101 4.931 -1.176 1.00 0.00 H new ATOM 246 N ASP A 18 -3.679 4.224 -1.578 1.00 0.00 N ATOM 247 CA ASP A 18 -4.573 5.314 -1.970 1.00 0.00 C ATOM 248 C ASP A 18 -4.273 6.578 -1.158 1.00 0.00 C ATOM 249 O ASP A 18 -4.445 7.694 -1.648 1.00 0.00 O ATOM 250 CB ASP A 18 -6.033 4.892 -1.765 1.00 0.00 C ATOM 251 CG ASP A 18 -6.999 5.628 -2.677 1.00 0.00 C ATOM 252 OD1 ASP A 18 -7.237 6.832 -2.448 1.00 0.00 O ATOM 253 OD2 ASP A 18 -7.527 4.994 -3.616 1.00 0.00 O ATOM 0 H ASP A 18 -3.985 3.714 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.409 5.535 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.123 3.820 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.314 5.071 -0.727 1.00 0.00 H new ATOM 258 N ASP A 19 -3.830 6.390 0.090 1.00 0.00 N ATOM 259 CA ASP A 19 -3.509 7.508 0.982 1.00 0.00 C ATOM 260 C ASP A 19 -2.330 8.346 0.470 1.00 0.00 C ATOM 261 O ASP A 19 -2.177 9.502 0.866 1.00 0.00 O ATOM 262 CB ASP A 19 -3.200 6.987 2.387 1.00 0.00 C ATOM 263 CG ASP A 19 -4.452 6.583 3.145 1.00 0.00 C ATOM 264 OD1 ASP A 19 -4.992 5.492 2.863 1.00 0.00 O ATOM 265 OD2 ASP A 19 -4.891 7.356 4.023 1.00 0.00 O ATOM 0 H ASP A 19 -3.685 5.470 0.506 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.384 8.157 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.531 6.130 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.672 7.757 2.949 1.00 0.00 H new ATOM 270 N ASP A 20 -1.497 7.760 -0.398 1.00 0.00 N ATOM 271 CA ASP A 20 -0.329 8.456 -0.952 1.00 0.00 C ATOM 272 C ASP A 20 -0.679 9.853 -1.483 1.00 0.00 C ATOM 273 O ASP A 20 0.031 10.819 -1.201 1.00 0.00 O ATOM 274 CB ASP A 20 0.330 7.613 -2.059 1.00 0.00 C ATOM 275 CG ASP A 20 -0.558 7.396 -3.278 1.00 0.00 C ATOM 276 OD1 ASP A 20 -1.785 7.243 -3.109 1.00 0.00 O ATOM 277 OD2 ASP A 20 -0.018 7.372 -4.405 1.00 0.00 O ATOM 0 H ASP A 20 -1.610 6.803 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 20 0.379 8.589 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.252 8.102 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.609 6.643 -1.647 1.00 0.00 H new ATOM 282 N GLY A 21 -1.770 9.960 -2.251 1.00 0.00 N ATOM 283 CA GLY A 21 -2.172 11.253 -2.791 1.00 0.00 C ATOM 284 C GLY A 21 -1.461 11.636 -4.082 1.00 0.00 C ATOM 285 O GLY A 21 -1.805 12.639 -4.711 1.00 0.00 O ATOM 0 H GLY A 21 -2.376 9.180 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.247 11.241 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.982 12.022 -2.042 1.00 0.00 H new ATOM 289 N THR A 22 -0.457 10.857 -4.460 1.00 0.00 N ATOM 290 CA THR A 22 0.329 11.130 -5.665 1.00 0.00 C ATOM 291 C THR A 22 -0.313 10.522 -6.918 1.00 0.00 C ATOM 292 O THR A 22 -1.361 9.878 -6.846 1.00 0.00 O ATOM 293 CB THR A 22 1.759 10.588 -5.501 1.00 0.00 C ATOM 294 OG1 THR A 22 2.071 10.361 -4.134 1.00 0.00 O ATOM 295 CG2 THR A 22 2.820 11.510 -6.063 1.00 0.00 C ATOM 0 H THR A 22 -0.163 10.025 -3.949 1.00 0.00 H new ATOM 0 HA THR A 22 0.359 12.212 -5.795 1.00 0.00 H new ATOM 0 HB THR A 22 1.770 9.655 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.044 10.328 -4.022 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.804 11.066 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.647 11.657 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.774 12.472 -5.552 1.00 0.00 H new ATOM 303 N TYR A 23 0.335 10.744 -8.069 1.00 0.00 N ATOM 304 CA TYR A 23 -0.147 10.237 -9.359 1.00 0.00 C ATOM 305 C TYR A 23 -0.317 8.718 -9.337 1.00 0.00 C ATOM 306 O TYR A 23 -1.197 8.180 -10.013 1.00 0.00 O ATOM 307 CB TYR A 23 0.813 10.634 -10.486 1.00 0.00 C ATOM 308 CG TYR A 23 0.920 12.131 -10.695 1.00 0.00 C ATOM 309 CD1 TYR A 23 -0.023 12.816 -11.451 1.00 0.00 C ATOM 310 CD2 TYR A 23 1.963 12.857 -10.134 1.00 0.00 C ATOM 311 CE1 TYR A 23 0.070 14.181 -11.642 1.00 0.00 C ATOM 312 CE2 TYR A 23 2.063 14.223 -10.320 1.00 0.00 C ATOM 313 CZ TYR A 23 1.114 14.880 -11.075 1.00 0.00 C ATOM 314 OH TYR A 23 1.210 16.240 -11.261 1.00 0.00 O ATOM 0 H TYR A 23 1.203 11.277 -8.132 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.123 10.687 -9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.803 10.235 -10.265 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.482 10.169 -11.414 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.843 12.272 -11.897 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.708 12.346 -9.543 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.672 14.698 -12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.880 14.773 -9.877 1.00 0.00 H new ATOM 0 HH TYR A 23 2.002 16.579 -10.794 1.00 0.00 H new ATOM 324 N ALA A 24 0.524 8.032 -8.559 1.00 0.00 N ATOM 325 CA ALA A 24 0.458 6.574 -8.449 1.00 0.00 C ATOM 326 C ALA A 24 -0.940 6.127 -8.019 1.00 0.00 C ATOM 327 O ALA A 24 -1.426 5.086 -8.457 1.00 0.00 O ATOM 328 CB ALA A 24 1.505 6.060 -7.472 1.00 0.00 C ATOM 0 H ALA A 24 1.258 8.463 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 24 0.667 6.150 -9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.438 4.974 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.498 6.342 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.329 6.495 -6.488 1.00 0.00 H new ATOM 334 N ASP A 25 -1.585 6.929 -7.170 1.00 0.00 N ATOM 335 CA ASP A 25 -2.934 6.629 -6.697 1.00 0.00 C ATOM 336 C ASP A 25 -3.917 6.551 -7.864 1.00 0.00 C ATOM 337 O ASP A 25 -4.746 5.642 -7.935 1.00 0.00 O ATOM 338 CB ASP A 25 -3.399 7.715 -5.726 1.00 0.00 C ATOM 339 CG ASP A 25 -4.709 7.373 -5.033 1.00 0.00 C ATOM 340 OD1 ASP A 25 -5.098 6.185 -5.031 1.00 0.00 O ATOM 341 OD2 ASP A 25 -5.348 8.299 -4.492 1.00 0.00 O ATOM 0 H ASP A 25 -1.192 7.793 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.907 5.664 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.627 7.876 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.516 8.653 -6.268 1.00 0.00 H new ATOM 346 N LEU A 26 -3.815 7.521 -8.773 1.00 0.00 N ATOM 347 CA LEU A 26 -4.691 7.586 -9.941 1.00 0.00 C ATOM 348 C LEU A 26 -4.563 6.325 -10.793 1.00 0.00 C ATOM 349 O LEU A 26 -5.565 5.695 -11.132 1.00 0.00 O ATOM 350 CB LEU A 26 -4.368 8.835 -10.774 1.00 0.00 C ATOM 351 CG LEU A 26 -5.576 9.539 -11.405 1.00 0.00 C ATOM 352 CD1 LEU A 26 -6.287 8.620 -12.388 1.00 0.00 C ATOM 353 CD2 LEU A 26 -6.542 10.020 -10.327 1.00 0.00 C ATOM 0 H LEU A 26 -3.131 8.276 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.722 7.652 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.845 9.549 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.679 8.552 -11.569 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.212 10.408 -11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.140 9.142 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.597 8.331 -13.180 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.634 7.728 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.392 10.517 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.894 9.167 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.031 10.721 -9.667 1.00 0.00 H new ATOM 365 N VAL A 27 -3.325 5.953 -11.127 1.00 0.00 N ATOM 366 CA VAL A 27 -3.077 4.757 -11.929 1.00 0.00 C ATOM 367 C VAL A 27 -3.469 3.490 -11.158 1.00 0.00 C ATOM 368 O VAL A 27 -4.002 2.543 -11.740 1.00 0.00 O ATOM 369 CB VAL A 27 -1.600 4.662 -12.388 1.00 0.00 C ATOM 370 CG1 VAL A 27 -0.649 4.577 -11.202 1.00 0.00 C ATOM 371 CG2 VAL A 27 -1.405 3.473 -13.320 1.00 0.00 C ATOM 0 H VAL A 27 -2.484 6.461 -10.855 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.700 4.838 -12.820 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.364 5.575 -12.934 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.378 4.512 -11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.760 5.467 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.883 3.692 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.362 3.422 -13.632 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.673 2.554 -12.798 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.041 3.590 -14.198 1.00 0.00 H new ATOM 381 N ARG A 28 -3.214 3.488 -9.846 1.00 0.00 N ATOM 382 CA ARG A 28 -3.550 2.347 -8.991 1.00 0.00 C ATOM 383 C ARG A 28 -5.061 2.098 -8.976 1.00 0.00 C ATOM 384 O ARG A 28 -5.504 0.951 -8.921 1.00 0.00 O ATOM 385 CB ARG A 28 -3.036 2.577 -7.564 1.00 0.00 C ATOM 386 CG ARG A 28 -3.411 1.471 -6.589 1.00 0.00 C ATOM 387 CD ARG A 28 -4.567 1.888 -5.692 1.00 0.00 C ATOM 388 NE ARG A 28 -4.563 1.169 -4.417 1.00 0.00 N ATOM 389 CZ ARG A 28 -5.482 1.335 -3.463 1.00 0.00 C ATOM 390 NH1 ARG A 28 -6.467 2.215 -3.618 1.00 0.00 N ATOM 391 NH2 ARG A 28 -5.412 0.619 -2.346 1.00 0.00 N ATOM 0 H ARG A 28 -2.775 4.266 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.063 1.463 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.951 2.673 -7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.430 3.523 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.684 0.573 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.547 1.216 -5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.510 2.960 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.510 1.705 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.812 0.500 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.525 2.770 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.164 2.335 -2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.657 -0.055 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.113 0.744 -1.615 1.00 0.00 H new ATOM 405 N ALA A 29 -5.845 3.180 -9.025 1.00 0.00 N ATOM 406 CA ALA A 29 -7.309 3.084 -9.022 1.00 0.00 C ATOM 407 C ALA A 29 -7.826 2.199 -10.159 1.00 0.00 C ATOM 408 O ALA A 29 -8.916 1.634 -10.060 1.00 0.00 O ATOM 409 CB ALA A 29 -7.934 4.470 -9.103 1.00 0.00 C ATOM 0 H ALA A 29 -5.489 4.135 -9.067 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.603 2.616 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.020 4.380 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.616 5.063 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.613 4.961 -10.022 1.00 0.00 H new ATOM 415 N VAL A 30 -7.042 2.072 -11.234 1.00 0.00 N ATOM 416 CA VAL A 30 -7.435 1.240 -12.372 1.00 0.00 C ATOM 417 C VAL A 30 -7.146 -0.248 -12.100 1.00 0.00 C ATOM 418 O VAL A 30 -7.388 -1.097 -12.959 1.00 0.00 O ATOM 419 CB VAL A 30 -6.705 1.673 -13.667 1.00 0.00 C ATOM 420 CG1 VAL A 30 -7.363 1.056 -14.896 1.00 0.00 C ATOM 421 CG2 VAL A 30 -6.670 3.192 -13.787 1.00 0.00 C ATOM 0 H VAL A 30 -6.138 2.532 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.508 1.377 -12.508 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.679 1.309 -13.610 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.832 1.376 -15.792 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.327 -0.031 -14.821 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.402 1.381 -14.955 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.152 3.473 -14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.689 3.579 -13.812 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.144 3.613 -12.930 1.00 0.00 H new ATOM 431 N ASP A 31 -6.648 -0.556 -10.893 1.00 0.00 N ATOM 432 CA ASP A 31 -6.344 -1.929 -10.494 1.00 0.00 C ATOM 433 C ASP A 31 -5.448 -2.629 -11.519 1.00 0.00 C ATOM 434 O ASP A 31 -5.872 -3.563 -12.202 1.00 0.00 O ATOM 435 CB ASP A 31 -7.642 -2.712 -10.271 1.00 0.00 C ATOM 436 CG ASP A 31 -7.424 -3.979 -9.464 1.00 0.00 C ATOM 437 OD1 ASP A 31 -7.268 -3.875 -8.229 1.00 0.00 O ATOM 438 OD2 ASP A 31 -7.404 -5.072 -10.068 1.00 0.00 O ATOM 0 H ASP A 31 -6.447 0.139 -10.173 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.791 -1.895 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.362 -2.076 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.077 -2.970 -11.236 1.00 0.00 H new ATOM 443 N LEU A 32 -4.202 -2.169 -11.614 1.00 0.00 N ATOM 444 CA LEU A 32 -3.237 -2.746 -12.546 1.00 0.00 C ATOM 445 C LEU A 32 -2.087 -3.424 -11.794 1.00 0.00 C ATOM 446 O LEU A 32 -0.934 -3.382 -12.233 1.00 0.00 O ATOM 447 CB LEU A 32 -2.694 -1.662 -13.484 1.00 0.00 C ATOM 448 CG LEU A 32 -3.403 -1.561 -14.837 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.261 -0.309 -14.898 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.389 -1.572 -15.973 1.00 0.00 C ATOM 0 H LEU A 32 -3.837 -1.397 -11.056 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.747 -3.504 -13.140 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.766 -0.698 -12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.635 -1.852 -13.659 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.054 -2.428 -14.950 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.757 -0.255 -15.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.011 -0.343 -14.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.631 0.570 -14.763 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.911 -1.499 -16.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.712 -0.725 -15.864 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.817 -2.500 -15.942 1.00 0.00 H new ATOM 462 N SER A 33 -2.407 -4.054 -10.663 1.00 0.00 N ATOM 463 CA SER A 33 -1.402 -4.741 -9.858 1.00 0.00 C ATOM 464 C SER A 33 -1.507 -6.254 -10.042 1.00 0.00 C ATOM 465 O SER A 33 -2.550 -6.846 -9.765 1.00 0.00 O ATOM 466 CB SER A 33 -1.564 -4.379 -8.378 1.00 0.00 C ATOM 467 OG SER A 33 -0.998 -3.108 -8.095 1.00 0.00 O ATOM 0 H SER A 33 -3.354 -4.102 -10.286 1.00 0.00 H new ATOM 0 HA SER A 33 -0.417 -4.418 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.622 -4.375 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.085 -5.139 -7.761 1.00 0.00 H new ATOM 0 HG SER A 33 -1.117 -2.901 -7.144 1.00 0.00 H new ATOM 473 N PRO A 34 -0.418 -6.901 -10.511 1.00 0.00 N ATOM 474 CA PRO A 34 -0.389 -8.355 -10.732 1.00 0.00 C ATOM 475 C PRO A 34 -0.736 -9.147 -9.471 1.00 0.00 C ATOM 476 O PRO A 34 -1.331 -10.222 -9.550 1.00 0.00 O ATOM 477 CB PRO A 34 1.059 -8.629 -11.155 1.00 0.00 C ATOM 478 CG PRO A 34 1.562 -7.326 -11.672 1.00 0.00 C ATOM 479 CD PRO A 34 0.866 -6.267 -10.865 1.00 0.00 C ATOM 0 HA PRO A 34 -1.127 -8.664 -11.472 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.657 -8.977 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.107 -9.403 -11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.644 -7.253 -11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.342 -7.216 -12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.439 -5.995 -9.978 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.719 -5.354 -11.441 1.00 0.00 H new ATOM 487 N HIS A 35 -0.363 -8.606 -8.308 1.00 0.00 N ATOM 488 CA HIS A 35 -0.639 -9.259 -7.030 1.00 0.00 C ATOM 489 C HIS A 35 -2.112 -9.110 -6.642 1.00 0.00 C ATOM 490 O HIS A 35 -2.728 -10.059 -6.155 1.00 0.00 O ATOM 491 CB HIS A 35 0.252 -8.677 -5.927 1.00 0.00 C ATOM 492 CG HIS A 35 1.708 -8.989 -6.103 1.00 0.00 C ATOM 493 ND1 HIS A 35 2.186 -10.266 -6.316 1.00 0.00 N ATOM 494 CD2 HIS A 35 2.794 -8.180 -6.102 1.00 0.00 C ATOM 495 CE1 HIS A 35 3.501 -10.228 -6.435 1.00 0.00 C ATOM 496 NE2 HIS A 35 3.895 -8.974 -6.310 1.00 0.00 N ATOM 0 H HIS A 35 0.131 -7.717 -8.227 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.418 -10.320 -7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.122 -7.595 -5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.079 -9.062 -4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.794 -7.109 -5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.145 -11.078 -6.606 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.860 -8.648 -6.360 1.00 0.00 H new ATOM 505 N GLU A 36 -2.666 -7.911 -6.860 1.00 0.00 N ATOM 506 CA GLU A 36 -4.065 -7.623 -6.537 1.00 0.00 C ATOM 507 C GLU A 36 -4.339 -7.859 -5.051 1.00 0.00 C ATOM 508 O GLU A 36 -4.898 -8.889 -4.663 1.00 0.00 O ATOM 509 CB GLU A 36 -5.001 -8.475 -7.404 1.00 0.00 C ATOM 510 CG GLU A 36 -6.400 -7.893 -7.550 1.00 0.00 C ATOM 511 CD GLU A 36 -7.452 -8.711 -6.826 1.00 0.00 C ATOM 512 OE1 GLU A 36 -7.697 -9.865 -7.239 1.00 0.00 O ATOM 513 OE2 GLU A 36 -8.031 -8.199 -5.844 1.00 0.00 O ATOM 0 H GLU A 36 -2.161 -7.121 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.258 -6.572 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.560 -8.590 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.076 -9.472 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.408 -6.874 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.656 -7.834 -8.608 1.00 0.00 H new ATOM 520 N VAL A 37 -3.926 -6.899 -4.223 1.00 0.00 N ATOM 521 CA VAL A 37 -4.109 -6.997 -2.777 1.00 0.00 C ATOM 522 C VAL A 37 -4.777 -5.742 -2.210 1.00 0.00 C ATOM 523 O VAL A 37 -4.804 -4.696 -2.861 1.00 0.00 O ATOM 524 CB VAL A 37 -2.759 -7.211 -2.061 1.00 0.00 C ATOM 525 CG1 VAL A 37 -2.123 -8.527 -2.482 1.00 0.00 C ATOM 526 CG2 VAL A 37 -1.815 -6.050 -2.337 1.00 0.00 C ATOM 0 H VAL A 37 -3.462 -6.044 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.756 -7.856 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.949 -7.253 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.173 -8.654 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.789 -9.351 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.951 -8.520 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.869 -6.220 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.637 -5.973 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.262 -5.124 -1.976 1.00 0.00 H new ATOM 536 N THR A 38 -5.305 -5.852 -0.989 1.00 0.00 N ATOM 537 CA THR A 38 -5.960 -4.723 -0.332 1.00 0.00 C ATOM 538 C THR A 38 -5.038 -4.102 0.714 1.00 0.00 C ATOM 539 O THR A 38 -4.676 -4.751 1.698 1.00 0.00 O ATOM 540 CB THR A 38 -7.273 -5.165 0.326 1.00 0.00 C ATOM 541 OG1 THR A 38 -8.009 -6.024 -0.531 1.00 0.00 O ATOM 542 CG2 THR A 38 -8.176 -4.007 0.701 1.00 0.00 C ATOM 0 H THR A 38 -5.291 -6.710 -0.438 1.00 0.00 H new ATOM 0 HA THR A 38 -6.184 -3.975 -1.092 1.00 0.00 H new ATOM 0 HB THR A 38 -6.973 -5.683 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.783 -6.382 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.087 -4.390 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.659 -3.356 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.433 -3.441 -0.194 1.00 0.00 H new ATOM 550 N VAL A 39 -4.664 -2.844 0.495 1.00 0.00 N ATOM 551 CA VAL A 39 -3.786 -2.131 1.417 1.00 0.00 C ATOM 552 C VAL A 39 -4.540 -1.014 2.139 1.00 0.00 C ATOM 553 O VAL A 39 -5.220 -0.200 1.509 1.00 0.00 O ATOM 554 CB VAL A 39 -2.553 -1.549 0.687 1.00 0.00 C ATOM 555 CG1 VAL A 39 -2.970 -0.592 -0.419 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.616 -0.864 1.670 1.00 0.00 C ATOM 0 H VAL A 39 -4.956 -2.297 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.438 -2.854 2.155 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.016 -2.378 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.082 -0.199 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.586 -1.122 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.541 0.232 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.756 -0.463 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.144 -0.052 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.276 -1.586 2.412 1.00 0.00 H new ATOM 566 N LEU A 40 -4.417 -0.985 3.465 1.00 0.00 N ATOM 567 CA LEU A 40 -5.085 0.028 4.280 1.00 0.00 C ATOM 568 C LEU A 40 -4.071 0.805 5.114 1.00 0.00 C ATOM 569 O LEU A 40 -3.057 0.250 5.541 1.00 0.00 O ATOM 570 CB LEU A 40 -6.129 -0.624 5.194 1.00 0.00 C ATOM 571 CG LEU A 40 -5.605 -1.755 6.087 1.00 0.00 C ATOM 572 CD1 LEU A 40 -6.445 -1.875 7.350 1.00 0.00 C ATOM 573 CD2 LEU A 40 -5.590 -3.076 5.327 1.00 0.00 C ATOM 0 H LEU A 40 -3.860 -1.653 3.998 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.589 0.725 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.563 0.147 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.935 -1.017 4.574 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.582 -1.514 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.057 -2.683 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.402 -0.938 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.479 -2.090 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.215 -3.866 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.602 -3.322 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.942 -2.987 4.455 1.00 0.00 H new ATOM 585 N VAL A 41 -4.350 2.088 5.345 1.00 0.00 N ATOM 586 CA VAL A 41 -3.460 2.939 6.130 1.00 0.00 C ATOM 587 C VAL A 41 -4.160 3.464 7.378 1.00 0.00 C ATOM 588 O VAL A 41 -5.249 4.037 7.299 1.00 0.00 O ATOM 589 CB VAL A 41 -2.939 4.139 5.310 1.00 0.00 C ATOM 590 CG1 VAL A 41 -1.856 4.884 6.080 1.00 0.00 C ATOM 591 CG2 VAL A 41 -2.420 3.681 3.953 1.00 0.00 C ATOM 0 H VAL A 41 -5.186 2.559 4.999 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.614 2.316 6.419 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.770 4.824 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.501 5.726 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.266 5.251 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.025 4.209 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.058 4.543 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.604 2.972 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.226 3.200 3.399 1.00 0.00 H new ATOM 601 N ASP A 42 -3.522 3.272 8.529 1.00 0.00 N ATOM 602 CA ASP A 42 -4.070 3.731 9.798 1.00 0.00 C ATOM 603 C ASP A 42 -3.778 5.215 10.009 1.00 0.00 C ATOM 604 O ASP A 42 -2.630 5.651 9.918 1.00 0.00 O ATOM 605 CB ASP A 42 -3.519 2.891 10.963 1.00 0.00 C ATOM 606 CG ASP A 42 -2.001 2.926 11.101 1.00 0.00 C ATOM 607 OD1 ASP A 42 -1.297 2.940 10.068 1.00 0.00 O ATOM 608 OD2 ASP A 42 -1.515 2.924 12.251 1.00 0.00 O ATOM 0 H ASP A 42 -2.621 2.800 8.607 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.152 3.602 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.965 3.245 11.893 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.836 1.857 10.831 1.00 0.00 H new ATOM 613 N GLY A 43 -4.834 5.987 10.281 1.00 0.00 N ATOM 614 CA GLY A 43 -4.689 7.419 10.495 1.00 0.00 C ATOM 615 C GLY A 43 -3.935 7.745 11.771 1.00 0.00 C ATOM 616 O GLY A 43 -4.547 8.022 12.806 1.00 0.00 O ATOM 0 H GLY A 43 -5.791 5.642 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.166 7.858 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.677 7.879 10.533 1.00 0.00 H new ATOM 620 N ARG A 44 -2.605 7.704 11.697 1.00 0.00 N ATOM 621 CA ARG A 44 -1.757 7.989 12.851 1.00 0.00 C ATOM 622 C ARG A 44 -0.770 9.116 12.545 1.00 0.00 C ATOM 623 O ARG A 44 -0.344 9.288 11.402 1.00 0.00 O ATOM 624 CB ARG A 44 -0.995 6.730 13.269 1.00 0.00 C ATOM 625 CG ARG A 44 -1.897 5.596 13.730 1.00 0.00 C ATOM 626 CD ARG A 44 -2.339 5.782 15.173 1.00 0.00 C ATOM 627 NE ARG A 44 -1.252 5.518 16.116 1.00 0.00 N ATOM 628 CZ ARG A 44 -0.801 4.297 16.420 1.00 0.00 C ATOM 629 NH1 ARG A 44 -1.340 3.217 15.857 1.00 0.00 N ATOM 630 NH2 ARG A 44 0.197 4.156 17.288 1.00 0.00 N ATOM 0 H ARG A 44 -2.091 7.475 10.846 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.400 8.310 13.670 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.392 6.385 12.429 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.305 6.984 14.074 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.774 5.543 13.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.369 4.647 13.630 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.701 6.800 15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.174 5.114 15.386 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.810 6.317 16.571 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.103 3.318 15.188 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.989 2.289 16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.617 4.979 17.720 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.542 3.225 17.521 1.00 0.00 H new ATOM 644 N PRO A 45 -0.392 9.900 13.574 1.00 0.00 N ATOM 645 CA PRO A 45 0.550 11.016 13.420 1.00 0.00 C ATOM 646 C PRO A 45 1.981 10.541 13.168 1.00 0.00 C ATOM 647 O PRO A 45 2.629 9.995 14.064 1.00 0.00 O ATOM 648 CB PRO A 45 0.453 11.748 14.761 1.00 0.00 C ATOM 649 CG PRO A 45 0.027 10.704 15.734 1.00 0.00 C ATOM 650 CD PRO A 45 -0.857 9.758 14.969 1.00 0.00 C ATOM 0 HA PRO A 45 0.306 11.640 12.560 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.411 12.185 15.043 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.268 12.564 14.715 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.890 10.182 16.149 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.510 11.148 16.572 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.750 8.733 15.325 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.910 10.023 15.070 1.00 0.00 H new ATOM 658 N VAL A 46 2.468 10.752 11.944 1.00 0.00 N ATOM 659 CA VAL A 46 3.823 10.345 11.572 1.00 0.00 C ATOM 660 C VAL A 46 4.464 11.348 10.612 1.00 0.00 C ATOM 661 O VAL A 46 3.829 11.793 9.654 1.00 0.00 O ATOM 662 CB VAL A 46 3.844 8.945 10.915 1.00 0.00 C ATOM 663 CG1 VAL A 46 3.536 7.861 11.940 1.00 0.00 C ATOM 664 CG2 VAL A 46 2.868 8.875 9.745 1.00 0.00 C ATOM 0 H VAL A 46 1.944 11.202 11.194 1.00 0.00 H new ATOM 0 HA VAL A 46 4.396 10.311 12.499 1.00 0.00 H new ATOM 0 HB VAL A 46 4.848 8.772 10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.556 6.885 11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.283 7.888 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.548 8.034 12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.903 7.880 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.858 9.078 10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.145 9.616 8.995 1.00 0.00 H new ATOM 674 N PRO A 47 5.741 11.713 10.851 1.00 0.00 N ATOM 675 CA PRO A 47 6.465 12.662 9.996 1.00 0.00 C ATOM 676 C PRO A 47 6.889 12.053 8.659 1.00 0.00 C ATOM 677 O PRO A 47 7.148 12.779 7.698 1.00 0.00 O ATOM 678 CB PRO A 47 7.690 13.026 10.834 1.00 0.00 C ATOM 679 CG PRO A 47 7.933 11.827 11.683 1.00 0.00 C ATOM 680 CD PRO A 47 6.579 11.230 11.968 1.00 0.00 C ATOM 0 HA PRO A 47 5.845 13.516 9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.551 13.246 10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.506 13.912 11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.574 11.110 11.169 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.440 12.102 12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.619 10.141 11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.191 11.560 12.932 1.00 0.00 H new ATOM 688 N GLU A 48 6.947 10.719 8.600 1.00 0.00 N ATOM 689 CA GLU A 48 7.325 10.018 7.373 1.00 0.00 C ATOM 690 C GLU A 48 6.316 10.284 6.248 1.00 0.00 C ATOM 691 O GLU A 48 6.615 10.054 5.075 1.00 0.00 O ATOM 692 CB GLU A 48 7.441 8.510 7.629 1.00 0.00 C ATOM 693 CG GLU A 48 6.172 7.877 8.190 1.00 0.00 C ATOM 694 CD GLU A 48 5.385 7.091 7.154 1.00 0.00 C ATOM 695 OE1 GLU A 48 6.009 6.366 6.349 1.00 0.00 O ATOM 696 OE2 GLU A 48 4.141 7.196 7.155 1.00 0.00 O ATOM 0 H GLU A 48 6.737 10.105 9.387 1.00 0.00 H new ATOM 0 HA GLU A 48 8.296 10.400 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.701 8.012 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.262 8.332 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.438 7.215 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.536 8.660 8.603 1.00 0.00 H new ATOM 703 N ASP A 49 5.125 10.774 6.612 1.00 0.00 N ATOM 704 CA ASP A 49 4.085 11.074 5.630 1.00 0.00 C ATOM 705 C ASP A 49 4.244 12.486 5.048 1.00 0.00 C ATOM 706 O ASP A 49 3.496 12.876 4.151 1.00 0.00 O ATOM 707 CB ASP A 49 2.698 10.924 6.263 1.00 0.00 C ATOM 708 CG ASP A 49 1.758 10.097 5.407 1.00 0.00 C ATOM 709 OD1 ASP A 49 1.377 10.571 4.315 1.00 0.00 O ATOM 710 OD2 ASP A 49 1.403 8.977 5.828 1.00 0.00 O ATOM 0 H ASP A 49 4.861 10.970 7.578 1.00 0.00 H new ATOM 0 HA ASP A 49 4.189 10.360 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.797 10.458 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.266 11.912 6.422 1.00 0.00 H new ATOM 715 N GLN A 50 5.217 13.249 5.558 1.00 0.00 N ATOM 716 CA GLN A 50 5.456 14.608 5.076 1.00 0.00 C ATOM 717 C GLN A 50 6.205 14.585 3.743 1.00 0.00 C ATOM 718 O GLN A 50 5.662 14.982 2.711 1.00 0.00 O ATOM 719 CB GLN A 50 6.242 15.414 6.116 1.00 0.00 C ATOM 720 CG GLN A 50 6.262 16.912 5.846 1.00 0.00 C ATOM 721 CD GLN A 50 4.997 17.613 6.309 1.00 0.00 C ATOM 722 OE1 GLN A 50 3.901 17.055 6.238 1.00 0.00 O ATOM 723 NE2 GLN A 50 5.140 18.844 6.790 1.00 0.00 N ATOM 0 H GLN A 50 5.848 12.948 6.301 1.00 0.00 H new ATOM 0 HA GLN A 50 4.491 15.090 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.810 15.238 7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.268 15.046 6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.122 17.355 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.395 17.082 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.065 19.271 6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.324 19.362 7.117 1.00 0.00 H new ATOM 732 N SER A 51 7.452 14.110 3.767 1.00 0.00 N ATOM 733 CA SER A 51 8.265 14.028 2.556 1.00 0.00 C ATOM 734 C SER A 51 7.907 12.777 1.757 1.00 0.00 C ATOM 735 O SER A 51 7.925 11.667 2.291 1.00 0.00 O ATOM 736 CB SER A 51 9.757 14.021 2.905 1.00 0.00 C ATOM 737 OG SER A 51 10.287 15.336 2.905 1.00 0.00 O ATOM 0 H SER A 51 7.918 13.777 4.611 1.00 0.00 H new ATOM 0 HA SER A 51 8.056 14.907 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.902 13.567 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.299 13.407 2.186 1.00 0.00 H new ATOM 0 HG SER A 51 11.240 15.305 3.132 1.00 0.00 H new ATOM 743 N VAL A 52 7.570 12.972 0.476 1.00 0.00 N ATOM 744 CA VAL A 52 7.191 11.872 -0.423 1.00 0.00 C ATOM 745 C VAL A 52 5.728 11.438 -0.227 1.00 0.00 C ATOM 746 O VAL A 52 5.142 10.817 -1.118 1.00 0.00 O ATOM 747 CB VAL A 52 8.114 10.636 -0.261 1.00 0.00 C ATOM 748 CG1 VAL A 52 7.940 9.674 -1.429 1.00 0.00 C ATOM 749 CG2 VAL A 52 9.575 11.055 -0.133 1.00 0.00 C ATOM 0 H VAL A 52 7.552 13.891 0.034 1.00 0.00 H new ATOM 0 HA VAL A 52 7.308 12.268 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 52 7.824 10.123 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.597 8.815 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.905 9.336 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.194 10.182 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.199 10.169 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.877 11.600 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.695 11.696 0.741 1.00 0.00 H new ATOM 759 N GLU A 53 5.140 11.764 0.933 1.00 0.00 N ATOM 760 CA GLU A 53 3.752 11.404 1.233 1.00 0.00 C ATOM 761 C GLU A 53 3.550 9.887 1.178 1.00 0.00 C ATOM 762 O GLU A 53 2.571 9.399 0.608 1.00 0.00 O ATOM 763 CB GLU A 53 2.785 12.104 0.266 1.00 0.00 C ATOM 764 CG GLU A 53 3.077 13.586 0.059 1.00 0.00 C ATOM 765 CD GLU A 53 1.818 14.432 -0.027 1.00 0.00 C ATOM 766 OE1 GLU A 53 0.871 14.024 -0.734 1.00 0.00 O ATOM 767 OE2 GLU A 53 1.782 15.507 0.609 1.00 0.00 O ATOM 0 H GLU A 53 5.608 12.278 1.679 1.00 0.00 H new ATOM 0 HA GLU A 53 3.535 11.741 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.824 11.599 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.768 11.994 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.696 13.947 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.656 13.712 -0.856 1.00 0.00 H new ATOM 774 N VAL A 54 4.483 9.145 1.778 1.00 0.00 N ATOM 775 CA VAL A 54 4.406 7.685 1.801 1.00 0.00 C ATOM 776 C VAL A 54 4.088 7.168 3.199 1.00 0.00 C ATOM 777 O VAL A 54 4.259 7.881 4.190 1.00 0.00 O ATOM 778 CB VAL A 54 5.721 7.030 1.325 1.00 0.00 C ATOM 779 CG1 VAL A 54 5.915 7.235 -0.170 1.00 0.00 C ATOM 780 CG2 VAL A 54 6.911 7.573 2.106 1.00 0.00 C ATOM 0 H VAL A 54 5.299 9.531 2.253 1.00 0.00 H new ATOM 0 HA VAL A 54 3.603 7.414 1.116 1.00 0.00 H new ATOM 0 HB VAL A 54 5.654 5.959 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.847 6.766 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.082 6.785 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.955 8.302 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.826 7.097 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.982 8.651 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.778 7.361 3.167 1.00 0.00 H new ATOM 790 N ASP A 55 3.636 5.918 3.267 1.00 0.00 N ATOM 791 CA ASP A 55 3.302 5.285 4.537 1.00 0.00 C ATOM 792 C ASP A 55 3.546 3.779 4.474 1.00 0.00 C ATOM 793 O ASP A 55 3.297 3.145 3.446 1.00 0.00 O ATOM 794 CB ASP A 55 1.839 5.566 4.914 1.00 0.00 C ATOM 795 CG ASP A 55 0.869 5.302 3.774 1.00 0.00 C ATOM 796 OD1 ASP A 55 0.691 4.123 3.402 1.00 0.00 O ATOM 797 OD2 ASP A 55 0.281 6.275 3.258 1.00 0.00 O ATOM 0 H ASP A 55 3.493 5.322 2.452 1.00 0.00 H new ATOM 0 HA ASP A 55 3.950 5.710 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.564 4.946 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.745 6.605 5.231 1.00 0.00 H new ATOM 802 N ARG A 56 4.015 3.206 5.579 1.00 0.00 N ATOM 803 CA ARG A 56 4.259 1.769 5.639 1.00 0.00 C ATOM 804 C ARG A 56 3.049 1.075 6.249 1.00 0.00 C ATOM 805 O ARG A 56 2.617 1.415 7.351 1.00 0.00 O ATOM 806 CB ARG A 56 5.512 1.453 6.459 1.00 0.00 C ATOM 807 CG ARG A 56 5.717 -0.038 6.701 1.00 0.00 C ATOM 808 CD ARG A 56 6.964 -0.304 7.527 1.00 0.00 C ATOM 809 NE ARG A 56 6.761 0.011 8.941 1.00 0.00 N ATOM 810 CZ ARG A 56 6.022 -0.726 9.776 1.00 0.00 C ATOM 811 NH1 ARG A 56 5.417 -1.834 9.348 1.00 0.00 N ATOM 812 NH2 ARG A 56 5.889 -0.355 11.045 1.00 0.00 N ATOM 0 H ARG A 56 4.232 3.710 6.439 1.00 0.00 H new ATOM 0 HA ARG A 56 4.421 1.403 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.385 1.853 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.447 1.964 7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.846 -0.447 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.796 -0.555 5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.249 -1.351 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.791 0.291 7.138 1.00 0.00 H new ATOM 0 HE ARG A 56 7.212 0.846 9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.516 -2.126 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.855 -2.390 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.350 0.491 11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.326 -0.916 11.684 1.00 0.00 H new ATOM 826 N VAL A 57 2.501 0.111 5.519 1.00 0.00 N ATOM 827 CA VAL A 57 1.327 -0.625 5.975 1.00 0.00 C ATOM 828 C VAL A 57 1.464 -2.121 5.701 1.00 0.00 C ATOM 829 O VAL A 57 2.360 -2.546 4.975 1.00 0.00 O ATOM 830 CB VAL A 57 0.041 -0.087 5.310 1.00 0.00 C ATOM 831 CG1 VAL A 57 -0.410 1.196 5.991 1.00 0.00 C ATOM 832 CG2 VAL A 57 0.255 0.144 3.819 1.00 0.00 C ATOM 0 H VAL A 57 2.852 -0.180 4.606 1.00 0.00 H new ATOM 0 HA VAL A 57 1.255 -0.477 7.052 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.742 -0.836 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.317 1.563 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.611 0.998 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.375 1.948 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.665 0.523 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.054 0.871 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.529 -0.796 3.341 1.00 0.00 H new ATOM 842 N LYS A 58 0.575 -2.915 6.291 1.00 0.00 N ATOM 843 CA LYS A 58 0.602 -4.366 6.108 1.00 0.00 C ATOM 844 C LYS A 58 -0.478 -4.809 5.125 1.00 0.00 C ATOM 845 O LYS A 58 -1.638 -4.405 5.239 1.00 0.00 O ATOM 846 CB LYS A 58 0.418 -5.086 7.448 1.00 0.00 C ATOM 847 CG LYS A 58 -0.574 -4.407 8.383 1.00 0.00 C ATOM 848 CD LYS A 58 -0.688 -5.146 9.708 1.00 0.00 C ATOM 849 CE LYS A 58 0.652 -5.209 10.430 1.00 0.00 C ATOM 850 NZ LYS A 58 0.495 -5.152 11.912 1.00 0.00 N ATOM 0 H LYS A 58 -0.172 -2.581 6.899 1.00 0.00 H new ATOM 0 HA LYS A 58 1.576 -4.633 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.084 -6.106 7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.384 -5.155 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.259 -3.379 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.553 -4.361 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.421 -4.647 10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.055 -6.157 9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.168 -6.129 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.280 -4.381 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.431 -5.198 12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.026 -4.262 12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.082 -5.956 12.231 1.00 0.00 H new ATOM 864 N VAL A 59 -0.089 -5.639 4.157 1.00 0.00 N ATOM 865 CA VAL A 59 -1.023 -6.136 3.149 1.00 0.00 C ATOM 866 C VAL A 59 -0.951 -7.658 3.029 1.00 0.00 C ATOM 867 O VAL A 59 0.129 -8.246 3.100 1.00 0.00 O ATOM 868 CB VAL A 59 -0.747 -5.513 1.764 1.00 0.00 C ATOM 869 CG1 VAL A 59 -1.845 -5.885 0.780 1.00 0.00 C ATOM 870 CG2 VAL A 59 -0.614 -4.000 1.867 1.00 0.00 C ATOM 0 H VAL A 59 0.866 -5.981 4.050 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.020 -5.845 3.479 1.00 0.00 H new ATOM 0 HB VAL A 59 0.197 -5.914 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.632 -5.436 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.889 -6.969 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.803 -5.517 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.420 -3.584 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.539 -3.580 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.212 -3.752 2.534 1.00 0.00 H new ATOM 880 N LEU A 60 -2.111 -8.286 2.841 1.00 0.00 N ATOM 881 CA LEU A 60 -2.191 -9.738 2.704 1.00 0.00 C ATOM 882 C LEU A 60 -2.285 -10.145 1.234 1.00 0.00 C ATOM 883 O LEU A 60 -2.981 -9.500 0.447 1.00 0.00 O ATOM 884 CB LEU A 60 -3.401 -10.279 3.473 1.00 0.00 C ATOM 885 CG LEU A 60 -3.099 -11.437 4.429 1.00 0.00 C ATOM 886 CD1 LEU A 60 -3.682 -11.162 5.808 1.00 0.00 C ATOM 887 CD2 LEU A 60 -3.641 -12.745 3.869 1.00 0.00 C ATOM 0 H LEU A 60 -3.011 -7.809 2.780 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.280 -10.166 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.843 -9.463 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.151 -10.608 2.754 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.017 -11.527 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.456 -11.997 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.245 -10.249 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.763 -11.043 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.418 -13.557 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.720 -12.666 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.174 -12.950 2.906 1.00 0.00 H new ATOM 899 N ARG A 61 -1.577 -11.219 0.872 1.00 0.00 N ATOM 900 CA ARG A 61 -1.575 -11.721 -0.505 1.00 0.00 C ATOM 901 C ARG A 61 -2.988 -12.100 -0.954 1.00 0.00 C ATOM 902 O ARG A 61 -3.657 -12.902 -0.300 1.00 0.00 O ATOM 903 CB ARG A 61 -0.650 -12.936 -0.633 1.00 0.00 C ATOM 904 CG ARG A 61 0.814 -12.623 -0.367 1.00 0.00 C ATOM 905 CD ARG A 61 1.732 -13.664 -0.993 1.00 0.00 C ATOM 906 NE ARG A 61 2.887 -13.054 -1.655 1.00 0.00 N ATOM 907 CZ ARG A 61 3.978 -12.619 -1.015 1.00 0.00 C ATOM 908 NH1 ARG A 61 4.069 -12.713 0.310 1.00 0.00 N ATOM 909 NH2 ARG A 61 4.981 -12.083 -1.704 1.00 0.00 N ATOM 0 H ARG A 61 -0.997 -11.758 1.515 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.207 -10.922 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.980 -13.707 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.747 -13.351 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.054 -11.638 -0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.989 -12.582 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.078 -14.352 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.170 -14.254 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 61 2.858 -12.954 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.303 -13.120 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.905 -12.378 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.918 -12.004 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.814 -11.751 -1.218 1.00 0.00 H new ATOM 923 N LEU A 62 -3.432 -11.516 -2.074 1.00 0.00 N ATOM 924 CA LEU A 62 -4.766 -11.783 -2.619 1.00 0.00 C ATOM 925 C LEU A 62 -5.855 -11.492 -1.580 1.00 0.00 C ATOM 926 O LEU A 62 -5.584 -10.897 -0.535 1.00 0.00 O ATOM 927 CB LEU A 62 -4.860 -13.235 -3.104 1.00 0.00 C ATOM 928 CG LEU A 62 -5.246 -13.404 -4.578 1.00 0.00 C ATOM 929 CD1 LEU A 62 -4.004 -13.588 -5.440 1.00 0.00 C ATOM 930 CD2 LEU A 62 -6.197 -14.581 -4.748 1.00 0.00 C ATOM 0 H LEU A 62 -2.883 -10.853 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.926 -11.118 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.898 -13.720 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.592 -13.760 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.757 -12.499 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.299 -13.706 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.360 -12.714 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.463 -14.476 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.461 -14.687 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.712 -15.494 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.100 -14.406 -4.163 1.00 0.00 H new ATOM 942 N ILE A 63 -7.090 -11.910 -1.872 1.00 0.00 N ATOM 943 CA ILE A 63 -8.211 -11.691 -0.958 1.00 0.00 C ATOM 944 C ILE A 63 -9.236 -12.820 -1.055 1.00 0.00 C ATOM 945 O ILE A 63 -9.768 -13.101 -2.130 1.00 0.00 O ATOM 946 CB ILE A 63 -8.920 -10.343 -1.226 1.00 0.00 C ATOM 947 CG1 ILE A 63 -9.259 -10.197 -2.711 1.00 0.00 C ATOM 948 CG2 ILE A 63 -8.056 -9.181 -0.756 1.00 0.00 C ATOM 949 CD1 ILE A 63 -10.615 -9.574 -2.967 1.00 0.00 C ATOM 0 H ILE A 63 -7.337 -12.400 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.788 -11.671 0.046 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.852 -10.328 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.493 -9.589 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.226 -11.180 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.572 -8.241 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.870 -9.275 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.107 -9.193 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.786 -9.503 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.391 -10.193 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.646 -8.577 -2.528 1.00 0.00 H new ATOM 961 N LYS A 64 -9.505 -13.462 0.080 1.00 0.00 N ATOM 962 CA LYS A 64 -10.468 -14.564 0.140 1.00 0.00 C ATOM 963 C LYS A 64 -11.292 -14.513 1.432 1.00 0.00 C ATOM 964 O LYS A 64 -11.668 -15.552 1.980 1.00 0.00 O ATOM 965 CB LYS A 64 -9.742 -15.913 0.037 1.00 0.00 C ATOM 966 CG LYS A 64 -9.112 -16.174 -1.325 1.00 0.00 C ATOM 967 CD LYS A 64 -10.068 -16.903 -2.258 1.00 0.00 C ATOM 968 CE LYS A 64 -11.152 -15.975 -2.788 1.00 0.00 C ATOM 969 NZ LYS A 64 -11.814 -16.525 -4.005 1.00 0.00 N ATOM 0 H LYS A 64 -9.069 -13.238 0.974 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.149 -14.457 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.964 -15.955 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.449 -16.713 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.815 -15.227 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.205 -16.765 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.510 -17.326 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.529 -17.737 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.900 -15.811 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.715 -15.004 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.545 -15.862 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.106 -16.658 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.253 -17.440 -3.778 1.00 0.00 H new ATOM 983 N GLY A 65 -11.572 -13.299 1.914 1.00 0.00 N ATOM 984 CA GLY A 65 -12.348 -13.140 3.133 1.00 0.00 C ATOM 985 C GLY A 65 -11.479 -13.085 4.376 1.00 0.00 C ATOM 986 O GLY A 65 -11.356 -12.032 5.005 1.00 0.00 O ATOM 0 H GLY A 65 -11.274 -12.425 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.939 -12.226 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.051 -13.968 3.222 1.00 0.00 H new ATOM 990 N GLY A 66 -10.875 -14.222 4.729 1.00 0.00 N ATOM 991 CA GLY A 66 -10.020 -14.284 5.902 1.00 0.00 C ATOM 992 C GLY A 66 -10.580 -15.193 6.979 1.00 0.00 C ATOM 993 O GLY A 66 -11.477 -14.747 7.726 1.00 0.00 O ATOM 0 H GLY A 66 -10.965 -15.102 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.032 -14.638 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.892 -13.281 6.308 1.00 0.00 H new TER 997 GLY A 66