USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 861 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 80 THR OG1 : rot -53:sc= 0.541 USER MOD Set 1.2: A 83 THR OG1 : rot 100:sc= 0.63 USER MOD Set 2.1: A 8 ASN : amide:sc= 0.16 K(o=0.16,f=-3.8!) USER MOD Set 2.2: A 11 SER OG : rot -140:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -134:sc= -0.0636 (180deg=-3.91!) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= -0.0346 (180deg=-0.175) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -135:sc= -1.68 (180deg=-2.29) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.09) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : +bothHN:sc= 0.222 K(o=0.22,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 0.621 (180deg=0.225) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.088 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 63 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= -0.0148 (180deg=-0.0851) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0.551 (180deg=0.54) USER MOD Single : A 101 TYR OH : rot 82:sc= 0.351 USER MOD Single : A 102 THR OG1 : rot -83:sc= 1.95 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 20.893 13.628 -4.323 1.00 0.00 N ATOM 2 CA LEU A 1 21.901 13.026 -5.218 1.00 0.00 C ATOM 3 C LEU A 1 21.479 11.577 -5.555 1.00 0.00 C ATOM 4 O LEU A 1 21.000 10.844 -4.681 1.00 0.00 O ATOM 5 CB LEU A 1 23.319 13.065 -4.563 1.00 0.00 C ATOM 6 CG LEU A 1 24.022 14.474 -4.467 1.00 0.00 C ATOM 7 CD1 LEU A 1 23.279 15.469 -3.544 1.00 0.00 C ATOM 8 CD2 LEU A 1 25.501 14.333 -4.041 1.00 0.00 C ATOM 0 H1 LEU A 1 20.656 14.583 -4.659 1.00 0.00 H new ATOM 0 H2 LEU A 1 20.036 13.039 -4.320 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.276 13.686 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 1 21.956 13.603 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 1 23.239 12.657 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 1 23.971 12.398 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 1 23.984 14.896 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 1 23.816 16.417 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 1 22.270 15.632 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 1 23.227 15.060 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 1 25.959 15.321 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 1 25.554 13.851 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 1 26.035 13.728 -4.774 1.00 0.00 H new ATOM 22 N ALA A 2 21.654 11.200 -6.836 1.00 0.00 N ATOM 23 CA ALA A 2 21.312 9.873 -7.389 1.00 0.00 C ATOM 24 C ALA A 2 19.786 9.602 -7.367 1.00 0.00 C ATOM 25 O ALA A 2 19.088 9.915 -8.336 1.00 0.00 O ATOM 26 CB ALA A 2 22.132 8.734 -6.725 1.00 0.00 C ATOM 0 H ALA A 2 22.049 11.828 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 2 21.602 9.886 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 2 21.847 7.777 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 2 23.195 8.907 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 2 21.930 8.717 -5.654 1.00 0.00 H new ATOM 32 N GLY A 3 19.278 9.048 -6.250 1.00 0.00 N ATOM 33 CA GLY A 3 17.876 8.623 -6.152 1.00 0.00 C ATOM 34 C GLY A 3 17.609 7.351 -6.961 1.00 0.00 C ATOM 35 O GLY A 3 17.603 6.245 -6.405 1.00 0.00 O ATOM 0 H GLY A 3 19.822 8.886 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 3 17.621 8.449 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 3 17.228 9.423 -6.509 1.00 0.00 H new ATOM 39 N GLY A 4 17.422 7.525 -8.290 1.00 0.00 N ATOM 40 CA GLY A 4 17.189 6.413 -9.221 1.00 0.00 C ATOM 41 C GLY A 4 15.815 5.768 -9.046 1.00 0.00 C ATOM 42 O GLY A 4 14.800 6.399 -9.353 1.00 0.00 O ATOM 0 H GLY A 4 17.430 8.441 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.287 6.776 -10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.961 5.657 -9.076 1.00 0.00 H new ATOM 46 N LYS A 5 15.808 4.504 -8.564 1.00 0.00 N ATOM 47 CA LYS A 5 14.586 3.725 -8.233 1.00 0.00 C ATOM 48 C LYS A 5 13.694 3.453 -9.476 1.00 0.00 C ATOM 49 O LYS A 5 14.160 3.552 -10.621 1.00 0.00 O ATOM 50 CB LYS A 5 13.790 4.428 -7.083 1.00 0.00 C ATOM 51 CG LYS A 5 14.623 4.674 -5.807 1.00 0.00 C ATOM 52 CD LYS A 5 13.808 5.321 -4.664 1.00 0.00 C ATOM 53 CE LYS A 5 14.672 5.590 -3.423 1.00 0.00 C ATOM 54 NZ LYS A 5 15.352 4.359 -2.932 1.00 0.00 N ATOM 0 H LYS A 5 16.668 3.984 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 5 14.906 2.745 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.411 5.383 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.924 3.818 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.034 3.726 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.469 5.317 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.374 6.258 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.979 4.667 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.420 6.346 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.047 5.999 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.769 4.542 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.660 3.586 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.103 4.088 -3.599 1.00 0.00 H new ATOM 68 N SER A 6 12.428 3.048 -9.219 1.00 0.00 N ATOM 69 CA SER A 6 11.389 2.865 -10.257 1.00 0.00 C ATOM 70 C SER A 6 11.120 4.177 -11.026 1.00 0.00 C ATOM 71 O SER A 6 10.799 4.161 -12.221 1.00 0.00 O ATOM 72 CB SER A 6 10.088 2.345 -9.598 1.00 0.00 C ATOM 73 OG SER A 6 9.708 3.158 -8.496 1.00 0.00 O ATOM 0 H SER A 6 12.098 2.838 -8.277 1.00 0.00 H new ATOM 0 HA SER A 6 11.748 2.133 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.285 2.329 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.233 1.318 -9.262 1.00 0.00 H new ATOM 0 HG SER A 6 8.883 2.808 -8.100 1.00 0.00 H new ATOM 79 N MET A 7 11.261 5.301 -10.309 1.00 0.00 N ATOM 80 CA MET A 7 11.134 6.655 -10.856 1.00 0.00 C ATOM 81 C MET A 7 11.919 7.615 -9.952 1.00 0.00 C ATOM 82 O MET A 7 11.842 7.510 -8.717 1.00 0.00 O ATOM 83 CB MET A 7 9.637 7.074 -10.941 1.00 0.00 C ATOM 84 CG MET A 7 9.377 8.487 -11.490 1.00 0.00 C ATOM 85 SD MET A 7 7.620 8.913 -11.494 1.00 0.00 S ATOM 86 CE MET A 7 7.206 8.826 -9.745 1.00 0.00 C ATOM 0 H MET A 7 11.471 5.291 -9.311 1.00 0.00 H new ATOM 0 HA MET A 7 11.539 6.687 -11.867 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.112 6.356 -11.570 1.00 0.00 H new ATOM 0 HB3 MET A 7 9.201 7.004 -9.945 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.923 9.214 -10.888 1.00 0.00 H new ATOM 0 HG3 MET A 7 9.767 8.557 -12.505 1.00 0.00 H new ATOM 0 HE1 MET A 7 6.266 8.289 -9.620 1.00 0.00 H new ATOM 0 HE2 MET A 7 7.998 8.302 -9.209 1.00 0.00 H new ATOM 0 HE3 MET A 7 7.103 9.835 -9.345 1.00 0.00 H new ATOM 96 N ASN A 8 12.708 8.506 -10.575 1.00 0.00 N ATOM 97 CA ASN A 8 13.475 9.548 -9.871 1.00 0.00 C ATOM 98 C ASN A 8 12.521 10.632 -9.314 1.00 0.00 C ATOM 99 O ASN A 8 12.294 11.685 -9.930 1.00 0.00 O ATOM 100 CB ASN A 8 14.591 10.141 -10.805 1.00 0.00 C ATOM 101 CG ASN A 8 14.083 10.692 -12.154 1.00 0.00 C ATOM 102 OD1 ASN A 8 13.091 10.215 -12.706 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.771 11.685 -12.704 1.00 0.00 N ATOM 0 H ASN A 8 12.833 8.524 -11.587 1.00 0.00 H new ATOM 0 HA ASN A 8 13.987 9.104 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.103 10.942 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.331 9.365 -11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.481 12.069 -13.603 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.589 12.064 -12.227 1.00 0.00 H new ATOM 110 N VAL A 9 11.926 10.323 -8.142 1.00 0.00 N ATOM 111 CA VAL A 9 10.971 11.215 -7.453 1.00 0.00 C ATOM 112 C VAL A 9 11.696 12.454 -6.897 1.00 0.00 C ATOM 113 O VAL A 9 11.089 13.511 -6.773 1.00 0.00 O ATOM 114 CB VAL A 9 10.210 10.483 -6.278 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.138 11.392 -5.632 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.576 9.158 -6.746 1.00 0.00 C ATOM 0 H VAL A 9 12.095 9.447 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 9 10.233 11.520 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 9 10.959 10.253 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.638 10.851 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.614 12.285 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.405 11.682 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.062 8.685 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.861 9.359 -7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.356 8.492 -7.116 1.00 0.00 H new ATOM 126 N GLU A 10 13.002 12.299 -6.588 1.00 0.00 N ATOM 127 CA GLU A 10 13.864 13.382 -6.054 1.00 0.00 C ATOM 128 C GLU A 10 13.815 14.641 -6.944 1.00 0.00 C ATOM 129 O GLU A 10 13.802 15.779 -6.447 1.00 0.00 O ATOM 130 CB GLU A 10 15.321 12.876 -5.926 1.00 0.00 C ATOM 131 CG GLU A 10 16.294 13.877 -5.268 1.00 0.00 C ATOM 132 CD GLU A 10 17.757 13.422 -5.321 1.00 0.00 C ATOM 133 OE1 GLU A 10 18.166 12.590 -4.489 1.00 0.00 O ATOM 134 OE2 GLU A 10 18.519 13.899 -6.193 1.00 0.00 O ATOM 0 H GLU A 10 13.494 11.413 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 10 13.485 13.659 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.322 11.954 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.694 12.627 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.203 14.843 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.004 14.025 -4.228 1.00 0.00 H new ATOM 141 N SER A 11 13.772 14.398 -8.265 1.00 0.00 N ATOM 142 CA SER A 11 13.634 15.442 -9.288 1.00 0.00 C ATOM 143 C SER A 11 12.318 16.224 -9.103 1.00 0.00 C ATOM 144 O SER A 11 12.291 17.460 -9.181 1.00 0.00 O ATOM 145 CB SER A 11 13.671 14.784 -10.683 1.00 0.00 C ATOM 146 OG SER A 11 14.813 13.957 -10.823 1.00 0.00 O ATOM 0 H SER A 11 13.833 13.457 -8.655 1.00 0.00 H new ATOM 0 HA SER A 11 14.458 16.148 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.768 14.192 -10.834 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.679 15.555 -11.453 1.00 0.00 H new ATOM 0 HG SER A 11 15.184 14.062 -11.724 1.00 0.00 H new ATOM 152 N TYR A 12 11.234 15.472 -8.836 1.00 0.00 N ATOM 153 CA TYR A 12 9.897 16.039 -8.622 1.00 0.00 C ATOM 154 C TYR A 12 9.814 16.763 -7.258 1.00 0.00 C ATOM 155 O TYR A 12 9.135 17.768 -7.156 1.00 0.00 O ATOM 156 CB TYR A 12 8.800 14.943 -8.750 1.00 0.00 C ATOM 157 CG TYR A 12 8.760 14.256 -10.131 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.806 15.007 -11.313 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.674 12.864 -10.259 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.772 14.396 -12.549 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.637 12.258 -11.498 1.00 0.00 C ATOM 162 CZ TYR A 12 8.689 13.025 -12.636 1.00 0.00 C ATOM 163 OH TYR A 12 8.657 12.416 -13.873 1.00 0.00 O ATOM 0 H TYR A 12 11.264 14.455 -8.763 1.00 0.00 H new ATOM 0 HA TYR A 12 9.716 16.780 -9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.965 14.186 -7.983 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.827 15.392 -8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.869 16.084 -11.255 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.636 12.252 -9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.810 14.993 -13.448 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.567 11.183 -11.573 1.00 0.00 H new ATOM 0 HH TYR A 12 8.599 11.445 -13.758 1.00 0.00 H new ATOM 173 N GLU A 13 10.555 16.269 -6.239 1.00 0.00 N ATOM 174 CA GLU A 13 10.566 16.866 -4.872 1.00 0.00 C ATOM 175 C GLU A 13 11.031 18.325 -4.919 1.00 0.00 C ATOM 176 O GLU A 13 10.328 19.243 -4.469 1.00 0.00 O ATOM 177 CB GLU A 13 11.510 16.082 -3.912 1.00 0.00 C ATOM 178 CG GLU A 13 11.129 14.616 -3.684 1.00 0.00 C ATOM 179 CD GLU A 13 11.940 13.928 -2.572 1.00 0.00 C ATOM 180 OE1 GLU A 13 11.654 14.179 -1.382 1.00 0.00 O ATOM 181 OE2 GLU A 13 12.848 13.126 -2.876 1.00 0.00 O ATOM 0 H GLU A 13 11.159 15.453 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 13 9.544 16.811 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.523 16.120 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.528 16.591 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.069 14.560 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.267 14.066 -4.615 1.00 0.00 H new ATOM 188 N LYS A 14 12.232 18.505 -5.484 1.00 0.00 N ATOM 189 CA LYS A 14 12.894 19.808 -5.551 1.00 0.00 C ATOM 190 C LYS A 14 12.120 20.778 -6.464 1.00 0.00 C ATOM 191 O LYS A 14 11.881 21.919 -6.067 1.00 0.00 O ATOM 192 CB LYS A 14 14.374 19.642 -6.010 1.00 0.00 C ATOM 193 CG LYS A 14 14.562 18.942 -7.375 1.00 0.00 C ATOM 194 CD LYS A 14 16.046 18.717 -7.747 1.00 0.00 C ATOM 195 CE LYS A 14 16.832 20.031 -7.898 1.00 0.00 C ATOM 196 NZ LYS A 14 18.274 19.789 -8.187 1.00 0.00 N ATOM 0 H LYS A 14 12.770 17.749 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 14 12.900 20.244 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.836 20.628 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.912 19.074 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.049 17.980 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.087 19.541 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.518 18.103 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.100 18.158 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.396 20.624 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.739 20.616 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.767 20.700 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.698 19.245 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.365 19.253 -9.073 1.00 0.00 H new ATOM 210 N ILE A 15 11.672 20.295 -7.654 1.00 0.00 N ATOM 211 CA ILE A 15 11.013 21.156 -8.667 1.00 0.00 C ATOM 212 C ILE A 15 9.642 21.650 -8.151 1.00 0.00 C ATOM 213 O ILE A 15 9.225 22.769 -8.454 1.00 0.00 O ATOM 214 CB ILE A 15 10.876 20.437 -10.081 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.728 21.483 -11.240 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.698 19.423 -10.115 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.710 20.887 -12.648 1.00 0.00 C ATOM 0 H ILE A 15 11.756 19.317 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 15 11.656 22.022 -8.823 1.00 0.00 H new ATOM 0 HB ILE A 15 11.798 19.876 -10.234 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.806 22.044 -11.087 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.550 22.196 -11.174 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.646 18.959 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.858 18.654 -9.359 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.763 19.944 -9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.604 21.687 -13.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.642 20.351 -12.828 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.871 20.197 -12.741 1.00 0.00 H new ATOM 229 N LEU A 16 8.970 20.803 -7.341 1.00 0.00 N ATOM 230 CA LEU A 16 7.703 21.158 -6.680 1.00 0.00 C ATOM 231 C LEU A 16 7.920 22.287 -5.668 1.00 0.00 C ATOM 232 O LEU A 16 7.148 23.246 -5.637 1.00 0.00 O ATOM 233 CB LEU A 16 7.070 19.922 -5.977 1.00 0.00 C ATOM 234 CG LEU A 16 6.306 18.926 -6.899 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.817 17.685 -6.112 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.147 19.634 -7.623 1.00 0.00 C ATOM 0 H LEU A 16 9.292 19.858 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 16 7.013 21.504 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.862 19.376 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.381 20.278 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 16 7.002 18.567 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.288 17.012 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.674 17.167 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.145 18.002 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.627 18.920 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.451 20.037 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.541 20.447 -8.233 1.00 0.00 H new ATOM 248 N ARG A 17 8.975 22.156 -4.849 1.00 0.00 N ATOM 249 CA ARG A 17 9.310 23.169 -3.839 1.00 0.00 C ATOM 250 C ARG A 17 9.679 24.502 -4.505 1.00 0.00 C ATOM 251 O ARG A 17 9.233 25.545 -4.064 1.00 0.00 O ATOM 252 CB ARG A 17 10.442 22.691 -2.902 1.00 0.00 C ATOM 253 CG ARG A 17 10.053 21.475 -2.035 1.00 0.00 C ATOM 254 CD ARG A 17 11.088 21.147 -0.950 1.00 0.00 C ATOM 255 NE ARG A 17 12.406 20.824 -1.521 1.00 0.00 N ATOM 256 CZ ARG A 17 13.016 19.626 -1.451 1.00 0.00 C ATOM 257 NH1 ARG A 17 12.421 18.584 -0.891 1.00 0.00 N ATOM 258 NH2 ARG A 17 14.224 19.482 -1.959 1.00 0.00 N ATOM 0 H ARG A 17 9.610 21.358 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 17 8.423 23.324 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.315 22.435 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.734 23.514 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.090 21.668 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.924 20.605 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.185 21.996 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.735 20.304 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 17 12.898 21.571 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.483 18.680 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.901 17.685 -0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.689 20.275 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.693 18.578 -1.910 1.00 0.00 H new ATOM 272 N ASP A 18 10.456 24.435 -5.598 1.00 0.00 N ATOM 273 CA ASP A 18 10.860 25.623 -6.382 1.00 0.00 C ATOM 274 C ASP A 18 9.629 26.348 -6.974 1.00 0.00 C ATOM 275 O ASP A 18 9.590 27.585 -7.039 1.00 0.00 O ATOM 276 CB ASP A 18 11.836 25.217 -7.522 1.00 0.00 C ATOM 277 CG ASP A 18 13.221 24.747 -7.020 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.820 25.449 -6.177 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.721 23.693 -7.475 1.00 0.00 O ATOM 0 H ASP A 18 10.824 23.558 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 18 11.369 26.310 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.382 24.418 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.972 26.067 -8.191 1.00 0.00 H new ATOM 284 N ARG A 19 8.622 25.553 -7.377 1.00 0.00 N ATOM 285 CA ARG A 19 7.385 26.068 -7.994 1.00 0.00 C ATOM 286 C ARG A 19 6.383 26.579 -6.949 1.00 0.00 C ATOM 287 O ARG A 19 5.597 27.481 -7.247 1.00 0.00 O ATOM 288 CB ARG A 19 6.749 25.008 -8.948 1.00 0.00 C ATOM 289 CG ARG A 19 7.191 25.155 -10.423 1.00 0.00 C ATOM 290 CD ARG A 19 8.714 25.059 -10.618 1.00 0.00 C ATOM 291 NE ARG A 19 9.124 25.420 -11.986 1.00 0.00 N ATOM 292 CZ ARG A 19 9.068 24.616 -13.061 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.537 23.398 -12.982 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.519 25.049 -14.228 1.00 0.00 N ATOM 0 H ARG A 19 8.642 24.537 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 19 7.660 26.931 -8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.013 24.011 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.663 25.088 -8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.707 24.381 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.843 26.115 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.212 25.717 -9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.043 24.044 -10.398 1.00 0.00 H new ATOM 0 HE ARG A 19 9.482 26.364 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.164 23.061 -12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.503 22.802 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.907 25.989 -14.308 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.479 24.443 -15.047 1.00 0.00 H new ATOM 308 N GLN A 20 6.404 26.017 -5.733 1.00 0.00 N ATOM 309 CA GLN A 20 5.576 26.540 -4.630 1.00 0.00 C ATOM 310 C GLN A 20 6.238 27.800 -4.049 1.00 0.00 C ATOM 311 O GLN A 20 5.549 28.625 -3.500 1.00 0.00 O ATOM 312 CB GLN A 20 5.298 25.478 -3.515 1.00 0.00 C ATOM 313 CG GLN A 20 6.426 25.254 -2.490 1.00 0.00 C ATOM 314 CD GLN A 20 6.132 24.186 -1.422 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.051 23.532 -0.927 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.860 24.005 -1.052 1.00 0.00 N ATOM 0 H GLN A 20 6.977 25.210 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 20 4.600 26.796 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.399 25.776 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.079 24.525 -3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.332 24.971 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.634 26.199 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.120 24.562 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.629 23.310 -0.342 1.00 0.00 H new ATOM 325 N ARG A 21 7.581 27.936 -4.196 1.00 0.00 N ATOM 326 CA ARG A 21 8.328 29.141 -3.748 1.00 0.00 C ATOM 327 C ARG A 21 7.930 30.367 -4.587 1.00 0.00 C ATOM 328 O ARG A 21 7.607 31.426 -4.031 1.00 0.00 O ATOM 329 CB ARG A 21 9.871 28.912 -3.823 1.00 0.00 C ATOM 330 CG ARG A 21 10.431 27.989 -2.720 1.00 0.00 C ATOM 331 CD ARG A 21 11.874 27.532 -2.988 1.00 0.00 C ATOM 332 NE ARG A 21 12.343 26.598 -1.943 1.00 0.00 N ATOM 333 CZ ARG A 21 13.111 25.515 -2.148 1.00 0.00 C ATOM 334 NH1 ARG A 21 13.489 25.162 -3.372 1.00 0.00 N ATOM 335 NH2 ARG A 21 13.504 24.786 -1.118 1.00 0.00 N ATOM 0 H ARG A 21 8.171 27.222 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 21 8.064 29.327 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.116 28.486 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.373 29.878 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.394 28.512 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.790 27.112 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.930 27.048 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.532 28.400 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 21 12.059 26.793 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.196 25.717 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.072 24.336 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.224 25.047 -0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.087 23.963 -1.269 1.00 0.00 H new ATOM 349 N GLU A 22 7.948 30.203 -5.931 1.00 0.00 N ATOM 350 CA GLU A 22 7.562 31.275 -6.873 1.00 0.00 C ATOM 351 C GLU A 22 6.064 31.617 -6.733 1.00 0.00 C ATOM 352 O GLU A 22 5.687 32.790 -6.811 1.00 0.00 O ATOM 353 CB GLU A 22 7.926 30.902 -8.340 1.00 0.00 C ATOM 354 CG GLU A 22 7.273 29.618 -8.869 1.00 0.00 C ATOM 355 CD GLU A 22 7.745 29.211 -10.277 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.867 28.669 -10.413 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.001 29.426 -11.258 1.00 0.00 O ATOM 0 H GLU A 22 8.227 29.334 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 22 8.133 32.167 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.641 31.730 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.008 30.797 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.484 28.803 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.191 29.752 -8.884 1.00 0.00 H new ATOM 364 N LEU A 23 5.221 30.588 -6.499 1.00 0.00 N ATOM 365 CA LEU A 23 3.782 30.788 -6.247 1.00 0.00 C ATOM 366 C LEU A 23 3.547 31.494 -4.899 1.00 0.00 C ATOM 367 O LEU A 23 2.787 32.449 -4.852 1.00 0.00 O ATOM 368 CB LEU A 23 2.991 29.456 -6.307 1.00 0.00 C ATOM 369 CG LEU A 23 2.760 28.840 -7.721 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.013 27.489 -7.617 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.007 29.826 -8.651 1.00 0.00 C ATOM 0 H LEU A 23 5.515 29.611 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 23 3.407 31.430 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.517 28.721 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.018 29.617 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 23 3.737 28.652 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.863 27.078 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.603 26.792 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.045 27.644 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.862 29.366 -9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.037 30.067 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.592 30.739 -8.763 1.00 0.00 H new ATOM 383 N TYR A 24 4.235 31.036 -3.826 1.00 0.00 N ATOM 384 CA TYR A 24 4.067 31.589 -2.454 1.00 0.00 C ATOM 385 C TYR A 24 4.376 33.094 -2.450 1.00 0.00 C ATOM 386 O TYR A 24 3.565 33.879 -1.988 1.00 0.00 O ATOM 387 CB TYR A 24 4.960 30.848 -1.387 1.00 0.00 C ATOM 388 CG TYR A 24 4.268 29.704 -0.604 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.142 29.955 0.187 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.751 28.387 -0.637 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.530 28.936 0.907 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.137 27.373 0.074 1.00 0.00 C ATOM 393 CZ TYR A 24 3.031 27.650 0.844 1.00 0.00 C ATOM 394 OH TYR A 24 2.429 26.636 1.557 1.00 0.00 O ATOM 0 H TYR A 24 4.917 30.280 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 24 3.028 31.426 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.834 30.439 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.323 31.585 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.742 30.957 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.623 28.160 -1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.663 29.149 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.524 26.366 0.025 1.00 0.00 H new ATOM 0 HH TYR A 24 2.908 25.796 1.399 1.00 0.00 H new ATOM 404 N ARG A 25 5.535 33.471 -3.014 1.00 0.00 N ATOM 405 CA ARG A 25 5.986 34.880 -3.060 1.00 0.00 C ATOM 406 C ARG A 25 5.095 35.722 -4.007 1.00 0.00 C ATOM 407 O ARG A 25 4.952 36.932 -3.816 1.00 0.00 O ATOM 408 CB ARG A 25 7.477 34.974 -3.484 1.00 0.00 C ATOM 409 CG ARG A 25 7.752 34.652 -4.964 1.00 0.00 C ATOM 410 CD ARG A 25 9.232 34.792 -5.334 1.00 0.00 C ATOM 411 NE ARG A 25 9.454 34.675 -6.787 1.00 0.00 N ATOM 412 CZ ARG A 25 10.417 35.320 -7.477 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.247 36.167 -6.869 1.00 0.00 N ATOM 414 NH2 ARG A 25 10.530 35.129 -8.784 1.00 0.00 N ATOM 0 H ARG A 25 6.185 32.816 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 25 5.891 35.290 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.837 35.981 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.059 34.292 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.423 33.635 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.160 35.317 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.602 35.757 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.809 34.025 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 25 8.832 34.059 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.160 36.336 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.970 36.646 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.890 34.496 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.257 35.615 -9.309 1.00 0.00 H new ATOM 428 N ARG A 26 4.507 35.061 -5.030 1.00 0.00 N ATOM 429 CA ARG A 26 3.561 35.701 -5.965 1.00 0.00 C ATOM 430 C ARG A 26 2.309 36.179 -5.216 1.00 0.00 C ATOM 431 O ARG A 26 1.997 37.368 -5.205 1.00 0.00 O ATOM 432 CB ARG A 26 3.171 34.709 -7.097 1.00 0.00 C ATOM 433 CG ARG A 26 2.016 35.178 -8.016 1.00 0.00 C ATOM 434 CD ARG A 26 1.656 34.150 -9.101 1.00 0.00 C ATOM 435 NE ARG A 26 2.752 33.960 -10.064 1.00 0.00 N ATOM 436 CZ ARG A 26 2.642 34.055 -11.401 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.471 34.320 -11.974 1.00 0.00 N ATOM 438 NH2 ARG A 26 3.708 33.870 -12.157 1.00 0.00 N ATOM 0 H ARG A 26 4.675 34.075 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 26 4.046 36.568 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.051 34.521 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.890 33.758 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.134 35.380 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.297 36.117 -8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.416 33.196 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.761 34.479 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 26 3.673 33.737 -9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.640 34.454 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.404 34.389 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.608 33.657 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.632 33.940 -13.172 1.00 0.00 H new ATOM 452 N LEU A 27 1.612 35.233 -4.566 1.00 0.00 N ATOM 453 CA LEU A 27 0.350 35.515 -3.858 1.00 0.00 C ATOM 454 C LEU A 27 0.595 36.119 -2.458 1.00 0.00 C ATOM 455 O LEU A 27 -0.342 36.570 -1.810 1.00 0.00 O ATOM 456 CB LEU A 27 -0.568 34.244 -3.842 1.00 0.00 C ATOM 457 CG LEU A 27 0.079 32.849 -3.525 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.510 32.682 -2.054 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.839 31.689 -3.961 1.00 0.00 C ATOM 0 H LEU A 27 1.904 34.257 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.191 36.285 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.357 34.416 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.048 34.171 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 27 0.995 32.814 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.948 31.694 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.247 33.445 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.360 32.789 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.360 30.738 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.789 31.757 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.018 31.750 -5.034 1.00 0.00 H new ATOM 471 N HIS A 28 1.870 36.137 -2.021 1.00 0.00 N ATOM 472 CA HIS A 28 2.320 36.845 -0.803 1.00 0.00 C ATOM 473 C HIS A 28 3.213 38.011 -1.252 1.00 0.00 C ATOM 474 O HIS A 28 4.351 38.163 -0.801 1.00 0.00 O ATOM 475 CB HIS A 28 3.080 35.911 0.195 1.00 0.00 C ATOM 476 CG HIS A 28 2.234 35.020 1.063 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.705 34.467 2.234 1.00 0.00 N ATOM 478 CD2 HIS A 28 0.958 34.588 0.941 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.765 33.736 2.788 1.00 0.00 C ATOM 480 NE2 HIS A 28 0.692 33.788 2.019 1.00 0.00 N ATOM 0 H HIS A 28 2.626 35.655 -2.508 1.00 0.00 H new ATOM 0 HA HIS A 28 1.448 37.207 -0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.760 35.281 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.695 36.535 0.844 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.642 34.605 2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.275 34.830 0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.854 33.187 3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.191 33.310 2.199 1.00 0.00 H new ATOM 489 N LYS A 29 2.667 38.839 -2.151 1.00 0.00 N ATOM 490 CA LYS A 29 3.391 39.982 -2.747 1.00 0.00 C ATOM 491 C LYS A 29 3.579 41.117 -1.716 1.00 0.00 C ATOM 492 O LYS A 29 4.429 41.994 -1.899 1.00 0.00 O ATOM 493 CB LYS A 29 2.624 40.488 -3.994 1.00 0.00 C ATOM 494 CG LYS A 29 1.235 41.112 -3.686 1.00 0.00 C ATOM 495 CD LYS A 29 0.273 41.071 -4.891 1.00 0.00 C ATOM 496 CE LYS A 29 -0.143 39.643 -5.278 1.00 0.00 C ATOM 497 NZ LYS A 29 -0.961 38.975 -4.230 1.00 0.00 N ATOM 0 H LYS A 29 1.710 38.740 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 29 4.384 39.651 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.237 41.231 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.489 39.656 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.782 40.581 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.370 42.147 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.619 41.653 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.750 41.549 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.709 39.674 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.751 39.048 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.527 38.217 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.334 38.570 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.595 39.671 -3.788 1.00 0.00 H new ATOM 511 N ILE A 30 2.754 41.098 -0.647 1.00 0.00 N ATOM 512 CA ILE A 30 2.865 42.052 0.480 1.00 0.00 C ATOM 513 C ILE A 30 4.225 41.920 1.203 1.00 0.00 C ATOM 514 O ILE A 30 4.807 42.928 1.613 1.00 0.00 O ATOM 515 CB ILE A 30 1.691 41.923 1.533 1.00 0.00 C ATOM 516 CG1 ILE A 30 1.692 40.551 2.315 1.00 0.00 C ATOM 517 CG2 ILE A 30 0.335 42.185 0.849 1.00 0.00 C ATOM 518 CD1 ILE A 30 1.207 39.330 1.550 1.00 0.00 C ATOM 0 H ILE A 30 1.995 40.425 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 30 2.788 43.040 0.027 1.00 0.00 H new ATOM 0 HB ILE A 30 1.861 42.686 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.708 40.356 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.071 40.665 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.466 42.094 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.328 43.190 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.182 41.457 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.256 38.453 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.177 39.487 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.839 39.173 0.676 1.00 0.00 H new ATOM 530 N GLU A 31 4.718 40.671 1.351 1.00 0.00 N ATOM 531 CA GLU A 31 6.023 40.388 1.987 1.00 0.00 C ATOM 532 C GLU A 31 7.125 40.281 0.920 1.00 0.00 C ATOM 533 O GLU A 31 8.292 40.580 1.192 1.00 0.00 O ATOM 534 CB GLU A 31 5.955 39.102 2.867 1.00 0.00 C ATOM 535 CG GLU A 31 5.620 37.807 2.099 1.00 0.00 C ATOM 536 CD GLU A 31 5.515 36.546 2.978 1.00 0.00 C ATOM 537 OE1 GLU A 31 4.460 36.342 3.617 1.00 0.00 O ATOM 538 OE2 GLU A 31 6.475 35.743 3.021 1.00 0.00 O ATOM 0 H GLU A 31 4.226 39.835 1.035 1.00 0.00 H new ATOM 0 HA GLU A 31 6.270 41.218 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.914 38.972 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.206 39.250 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.675 37.947 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.385 37.642 1.341 1.00 0.00 H new ATOM 545 N ALA A 32 6.745 39.858 -0.299 1.00 0.00 N ATOM 546 CA ALA A 32 7.659 39.809 -1.454 1.00 0.00 C ATOM 547 C ALA A 32 7.616 41.153 -2.187 1.00 0.00 C ATOM 548 O ALA A 32 6.993 41.303 -3.245 1.00 0.00 O ATOM 549 CB ALA A 32 7.322 38.640 -2.378 1.00 0.00 C ATOM 0 H ALA A 32 5.799 39.541 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 32 8.677 39.638 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.014 38.631 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.409 37.704 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.302 38.750 -2.747 1.00 0.00 H new ATOM 555 N ASP A 33 8.272 42.135 -1.569 1.00 0.00 N ATOM 556 CA ASP A 33 8.322 43.533 -2.045 1.00 0.00 C ATOM 557 C ASP A 33 9.560 43.761 -2.950 1.00 0.00 C ATOM 558 O ASP A 33 9.894 44.899 -3.287 1.00 0.00 O ATOM 559 CB ASP A 33 8.321 44.468 -0.792 1.00 0.00 C ATOM 560 CG ASP A 33 8.292 45.977 -1.109 1.00 0.00 C ATOM 561 OD1 ASP A 33 7.262 46.464 -1.607 1.00 0.00 O ATOM 562 OD2 ASP A 33 9.303 46.676 -0.880 1.00 0.00 O ATOM 0 H ASP A 33 8.796 41.987 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 33 7.452 43.762 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.456 44.224 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.208 44.254 -0.196 1.00 0.00 H new ATOM 567 N PHE A 34 10.190 42.640 -3.382 1.00 0.00 N ATOM 568 CA PHE A 34 11.468 42.620 -4.125 1.00 0.00 C ATOM 569 C PHE A 34 12.626 43.089 -3.198 1.00 0.00 C ATOM 570 O PHE A 34 13.644 43.636 -3.635 1.00 0.00 O ATOM 571 CB PHE A 34 11.359 43.423 -5.470 1.00 0.00 C ATOM 572 CG PHE A 34 12.551 43.262 -6.424 1.00 0.00 C ATOM 573 CD1 PHE A 34 12.943 41.996 -6.863 1.00 0.00 C ATOM 574 CD2 PHE A 34 13.268 44.368 -6.876 1.00 0.00 C ATOM 575 CE1 PHE A 34 14.019 41.844 -7.725 1.00 0.00 C ATOM 576 CE2 PHE A 34 14.341 44.213 -7.736 1.00 0.00 C ATOM 577 CZ PHE A 34 14.716 42.952 -8.159 1.00 0.00 C ATOM 0 H PHE A 34 9.813 41.707 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 34 11.702 41.598 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.453 43.110 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.242 44.481 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.402 41.124 -6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.983 45.358 -6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.311 40.858 -8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 34 14.887 45.080 -8.078 1.00 0.00 H new ATOM 0 HZ PHE A 34 15.555 42.834 -8.829 1.00 0.00 H new ATOM 587 N GLU A 35 12.448 42.816 -1.887 1.00 0.00 N ATOM 588 CA GLU A 35 13.495 42.968 -0.847 1.00 0.00 C ATOM 589 C GLU A 35 14.224 41.621 -0.636 1.00 0.00 C ATOM 590 O GLU A 35 14.979 41.437 0.329 1.00 0.00 O ATOM 591 CB GLU A 35 12.833 43.436 0.472 1.00 0.00 C ATOM 592 CG GLU A 35 11.998 44.722 0.339 1.00 0.00 C ATOM 593 CD GLU A 35 11.247 45.092 1.629 1.00 0.00 C ATOM 594 OE1 GLU A 35 10.345 44.331 2.039 1.00 0.00 O ATOM 595 OE2 GLU A 35 11.536 46.146 2.233 1.00 0.00 O ATOM 0 H GLU A 35 11.561 42.479 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 35 14.227 43.711 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.192 42.638 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.611 43.597 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.654 45.546 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.278 44.598 -0.470 1.00 0.00 H new ATOM 602 N GLU A 36 13.948 40.686 -1.560 1.00 0.00 N ATOM 603 CA GLU A 36 14.506 39.329 -1.590 1.00 0.00 C ATOM 604 C GLU A 36 16.042 39.355 -1.814 1.00 0.00 C ATOM 605 O GLU A 36 16.557 40.332 -2.383 1.00 0.00 O ATOM 606 CB GLU A 36 13.793 38.546 -2.727 1.00 0.00 C ATOM 607 CG GLU A 36 12.254 38.484 -2.591 1.00 0.00 C ATOM 608 CD GLU A 36 11.576 37.828 -3.806 1.00 0.00 C ATOM 609 OE1 GLU A 36 11.563 36.584 -3.889 1.00 0.00 O ATOM 610 OE2 GLU A 36 11.080 38.555 -4.697 1.00 0.00 O ATOM 0 H GLU A 36 13.307 40.863 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 36 14.338 38.839 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.043 39.008 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.185 37.529 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.995 37.926 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.864 39.494 -2.464 1.00 0.00 H new ATOM 617 N PRO A 37 16.797 38.287 -1.369 1.00 0.00 N ATOM 618 CA PRO A 37 18.265 38.195 -1.581 1.00 0.00 C ATOM 619 C PRO A 37 18.649 38.335 -3.078 1.00 0.00 C ATOM 620 O PRO A 37 18.135 37.599 -3.934 1.00 0.00 O ATOM 621 CB PRO A 37 18.635 36.785 -1.022 1.00 0.00 C ATOM 622 CG PRO A 37 17.331 36.046 -0.932 1.00 0.00 C ATOM 623 CD PRO A 37 16.297 37.099 -0.614 1.00 0.00 C ATOM 0 HA PRO A 37 18.805 39.001 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.335 36.271 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 37 19.113 36.861 -0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 37 17.101 35.539 -1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.365 35.281 -0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 37 15.301 36.801 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 37 16.235 37.296 0.456 1.00 0.00 H new ATOM 631 N ARG A 38 19.526 39.318 -3.374 1.00 0.00 N ATOM 632 CA ARG A 38 20.011 39.597 -4.740 1.00 0.00 C ATOM 633 C ARG A 38 20.860 38.432 -5.279 1.00 0.00 C ATOM 634 O ARG A 38 20.904 38.194 -6.488 1.00 0.00 O ATOM 635 CB ARG A 38 20.821 40.922 -4.763 1.00 0.00 C ATOM 636 CG ARG A 38 20.000 42.182 -4.401 1.00 0.00 C ATOM 637 CD ARG A 38 20.831 43.476 -4.471 1.00 0.00 C ATOM 638 NE ARG A 38 21.380 43.714 -5.821 1.00 0.00 N ATOM 639 CZ ARG A 38 21.763 44.909 -6.303 1.00 0.00 C ATOM 640 NH1 ARG A 38 21.635 46.012 -5.579 1.00 0.00 N ATOM 641 NH2 ARG A 38 22.260 44.994 -7.528 1.00 0.00 N ATOM 0 H ARG A 38 19.918 39.942 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 38 19.144 39.705 -5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 38 21.655 40.835 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 38 21.248 41.055 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.151 42.264 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.595 42.070 -3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 38 20.208 44.322 -4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 38 21.649 43.420 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 38 21.476 42.907 -6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 38 21.240 45.963 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.931 46.910 -5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.351 44.155 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.552 45.898 -7.898 1.00 0.00 H new ATOM 655 N ASN A 39 21.543 37.732 -4.363 1.00 0.00 N ATOM 656 CA ASN A 39 22.235 36.472 -4.667 1.00 0.00 C ATOM 657 C ASN A 39 21.183 35.339 -4.705 1.00 0.00 C ATOM 658 O ASN A 39 20.507 35.107 -3.693 1.00 0.00 O ATOM 659 CB ASN A 39 23.335 36.189 -3.613 1.00 0.00 C ATOM 660 CG ASN A 39 24.486 37.207 -3.656 1.00 0.00 C ATOM 661 OD1 ASN A 39 25.483 37.003 -4.344 1.00 0.00 O ATOM 662 ND2 ASN A 39 24.349 38.312 -2.934 1.00 0.00 N ATOM 0 H ASN A 39 21.631 38.024 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 39 22.731 36.537 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 39 22.888 36.196 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 39 23.736 35.189 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 39 25.083 39.020 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 39 23.509 38.453 -2.372 1.00 0.00 H new ATOM 669 N PRO A 40 21.005 34.640 -5.879 1.00 0.00 N ATOM 670 CA PRO A 40 19.905 33.667 -6.079 1.00 0.00 C ATOM 671 C PRO A 40 20.003 32.454 -5.131 1.00 0.00 C ATOM 672 O PRO A 40 20.852 31.569 -5.319 1.00 0.00 O ATOM 673 CB PRO A 40 20.035 33.241 -7.574 1.00 0.00 C ATOM 674 CG PRO A 40 20.916 34.284 -8.197 1.00 0.00 C ATOM 675 CD PRO A 40 21.848 34.742 -7.098 1.00 0.00 C ATOM 0 HA PRO A 40 18.934 34.107 -5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.474 32.247 -7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.060 33.205 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 40 21.475 33.873 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.326 35.116 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.733 34.110 -7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.196 35.761 -7.263 1.00 0.00 H new ATOM 683 N ASP A 41 19.156 32.454 -4.088 1.00 0.00 N ATOM 684 CA ASP A 41 19.036 31.322 -3.153 1.00 0.00 C ATOM 685 C ASP A 41 17.552 31.016 -2.919 1.00 0.00 C ATOM 686 O ASP A 41 16.717 31.924 -2.931 1.00 0.00 O ATOM 687 CB ASP A 41 19.766 31.605 -1.804 1.00 0.00 C ATOM 688 CG ASP A 41 20.095 30.304 -1.032 1.00 0.00 C ATOM 689 OD1 ASP A 41 19.202 29.736 -0.373 1.00 0.00 O ATOM 690 OD2 ASP A 41 21.236 29.817 -1.122 1.00 0.00 O ATOM 0 H ASP A 41 18.537 33.235 -3.870 1.00 0.00 H new ATOM 0 HA ASP A 41 19.521 30.452 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.688 32.152 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.141 32.246 -1.182 1.00 0.00 H new ATOM 695 N ASP A 42 17.243 29.737 -2.681 1.00 0.00 N ATOM 696 CA ASP A 42 15.853 29.242 -2.598 1.00 0.00 C ATOM 697 C ASP A 42 15.238 29.468 -1.202 1.00 0.00 C ATOM 698 O ASP A 42 14.012 29.589 -1.065 1.00 0.00 O ATOM 699 CB ASP A 42 15.824 27.733 -2.945 1.00 0.00 C ATOM 700 CG ASP A 42 16.417 27.409 -4.329 1.00 0.00 C ATOM 701 OD1 ASP A 42 15.953 27.974 -5.336 1.00 0.00 O ATOM 702 OD2 ASP A 42 17.369 26.601 -4.416 1.00 0.00 O ATOM 0 H ASP A 42 17.945 29.011 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 42 15.254 29.806 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.377 27.183 -2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.794 27.380 -2.908 1.00 0.00 H new ATOM 707 N GLU A 43 16.098 29.507 -0.169 1.00 0.00 N ATOM 708 CA GLU A 43 15.669 29.542 1.247 1.00 0.00 C ATOM 709 C GLU A 43 16.284 30.740 1.995 1.00 0.00 C ATOM 710 O GLU A 43 15.656 31.268 2.923 1.00 0.00 O ATOM 711 CB GLU A 43 16.072 28.215 1.950 1.00 0.00 C ATOM 712 CG GLU A 43 15.467 26.946 1.310 1.00 0.00 C ATOM 713 CD GLU A 43 15.872 25.651 2.031 1.00 0.00 C ATOM 714 OE1 GLU A 43 16.940 25.087 1.709 1.00 0.00 O ATOM 715 OE2 GLU A 43 15.133 25.197 2.930 1.00 0.00 O ATOM 0 H GLU A 43 17.111 29.515 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 43 14.585 29.656 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.159 28.129 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.764 28.263 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.380 27.030 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.782 26.887 0.268 1.00 0.00 H new ATOM 722 N ASP A 44 17.503 31.154 1.570 1.00 0.00 N ATOM 723 CA ASP A 44 18.336 32.169 2.262 1.00 0.00 C ATOM 724 C ASP A 44 18.640 31.729 3.720 1.00 0.00 C ATOM 725 O ASP A 44 19.670 31.099 3.973 1.00 0.00 O ATOM 726 CB ASP A 44 17.689 33.596 2.182 1.00 0.00 C ATOM 727 CG ASP A 44 18.447 34.678 2.988 1.00 0.00 C ATOM 728 OD1 ASP A 44 19.500 35.158 2.517 1.00 0.00 O ATOM 729 OD2 ASP A 44 18.004 35.042 4.104 1.00 0.00 O ATOM 0 H ASP A 44 17.941 30.787 0.725 1.00 0.00 H new ATOM 0 HA ASP A 44 19.292 32.240 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.640 33.903 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.663 33.539 2.546 1.00 0.00 H new ATOM 734 N ARG A 45 17.694 32.032 4.633 1.00 0.00 N ATOM 735 CA ARG A 45 17.718 31.680 6.064 1.00 0.00 C ATOM 736 C ARG A 45 16.536 32.420 6.710 1.00 0.00 C ATOM 737 O ARG A 45 16.711 33.443 7.391 1.00 0.00 O ATOM 738 CB ARG A 45 19.072 32.048 6.761 1.00 0.00 C ATOM 739 CG ARG A 45 19.179 31.657 8.255 1.00 0.00 C ATOM 740 CD ARG A 45 20.513 32.092 8.881 1.00 0.00 C ATOM 741 NE ARG A 45 20.744 33.545 8.739 1.00 0.00 N ATOM 742 CZ ARG A 45 21.889 34.114 8.324 1.00 0.00 C ATOM 743 NH1 ARG A 45 22.948 33.379 8.003 1.00 0.00 N ATOM 744 NH2 ARG A 45 21.971 35.430 8.245 1.00 0.00 N ATOM 0 H ARG A 45 16.855 32.553 4.379 1.00 0.00 H new ATOM 0 HA ARG A 45 17.629 30.600 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 45 19.884 31.564 6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.226 33.123 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.357 32.112 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.070 30.577 8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.522 31.825 9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.330 31.547 8.408 1.00 0.00 H new ATOM 0 HE ARG A 45 19.971 34.167 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.902 32.362 8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.807 33.831 7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.169 36.007 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.836 35.869 7.931 1.00 0.00 H new ATOM 758 N ALA A 46 15.322 31.946 6.396 1.00 0.00 N ATOM 759 CA ALA A 46 14.073 32.554 6.872 1.00 0.00 C ATOM 760 C ALA A 46 12.928 31.534 6.796 1.00 0.00 C ATOM 761 O ALA A 46 12.270 31.387 5.759 1.00 0.00 O ATOM 762 CB ALA A 46 13.748 33.831 6.071 1.00 0.00 C ATOM 0 H ALA A 46 15.179 31.128 5.803 1.00 0.00 H new ATOM 0 HA ALA A 46 14.197 32.846 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.819 34.265 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.558 34.551 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.638 33.580 5.016 1.00 0.00 H new ATOM 768 N SER A 47 12.753 30.791 7.893 1.00 0.00 N ATOM 769 CA SER A 47 11.660 29.829 8.071 1.00 0.00 C ATOM 770 C SER A 47 11.350 29.726 9.575 1.00 0.00 C ATOM 771 O SER A 47 10.247 30.073 10.011 1.00 0.00 O ATOM 772 CB SER A 47 12.041 28.456 7.460 1.00 0.00 C ATOM 773 OG SER A 47 13.292 27.997 7.946 1.00 0.00 O ATOM 0 H SER A 47 13.378 30.842 8.697 1.00 0.00 H new ATOM 0 HA SER A 47 10.765 30.165 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.268 27.725 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.080 28.539 6.374 1.00 0.00 H new ATOM 0 HG SER A 47 13.501 27.129 7.542 1.00 0.00 H new ATOM 779 N GLU A 48 12.359 29.274 10.350 1.00 0.00 N ATOM 780 CA GLU A 48 12.338 29.240 11.827 1.00 0.00 C ATOM 781 C GLU A 48 11.250 28.277 12.380 1.00 0.00 C ATOM 782 O GLU A 48 11.545 27.127 12.713 1.00 0.00 O ATOM 783 CB GLU A 48 12.188 30.682 12.410 1.00 0.00 C ATOM 784 CG GLU A 48 12.330 30.775 13.940 1.00 0.00 C ATOM 785 CD GLU A 48 11.937 32.145 14.502 1.00 0.00 C ATOM 786 OE1 GLU A 48 12.758 33.078 14.464 1.00 0.00 O ATOM 787 OE2 GLU A 48 10.795 32.306 14.968 1.00 0.00 O ATOM 0 H GLU A 48 13.229 28.915 9.957 1.00 0.00 H new ATOM 0 HA GLU A 48 13.296 28.840 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.938 31.325 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.212 31.075 12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.709 30.008 14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.362 30.559 14.216 1.00 0.00 H new ATOM 794 N ARG A 49 9.990 28.753 12.448 1.00 0.00 N ATOM 795 CA ARG A 49 8.856 28.029 13.067 1.00 0.00 C ATOM 796 C ARG A 49 7.638 28.007 12.115 1.00 0.00 C ATOM 797 O ARG A 49 7.734 28.451 10.960 1.00 0.00 O ATOM 798 CB ARG A 49 8.489 28.708 14.419 1.00 0.00 C ATOM 799 CG ARG A 49 9.576 28.589 15.515 1.00 0.00 C ATOM 800 CD ARG A 49 9.319 29.492 16.733 1.00 0.00 C ATOM 801 NE ARG A 49 8.059 29.172 17.435 1.00 0.00 N ATOM 802 CZ ARG A 49 7.865 29.293 18.760 1.00 0.00 C ATOM 803 NH1 ARG A 49 8.857 29.644 19.569 1.00 0.00 N ATOM 804 NH2 ARG A 49 6.669 29.054 19.270 1.00 0.00 N ATOM 0 H ARG A 49 9.726 29.663 12.070 1.00 0.00 H new ATOM 0 HA ARG A 49 9.148 26.996 13.254 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.288 29.764 14.238 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.565 28.267 14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.634 27.552 15.847 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.545 28.841 15.084 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.151 29.397 17.431 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.293 30.532 16.408 1.00 0.00 H new ATOM 0 HE ARG A 49 7.278 28.834 16.873 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.785 29.827 19.188 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.691 29.731 20.572 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.900 28.779 18.659 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.516 29.144 20.274 1.00 0.00 H new ATOM 818 N SER A 50 6.504 27.480 12.620 1.00 0.00 N ATOM 819 CA SER A 50 5.265 27.295 11.841 1.00 0.00 C ATOM 820 C SER A 50 4.638 28.648 11.415 1.00 0.00 C ATOM 821 O SER A 50 4.380 29.520 12.258 1.00 0.00 O ATOM 822 CB SER A 50 4.257 26.476 12.681 1.00 0.00 C ATOM 823 OG SER A 50 4.821 25.240 13.097 1.00 0.00 O ATOM 0 H SER A 50 6.423 27.169 13.588 1.00 0.00 H new ATOM 0 HA SER A 50 5.513 26.757 10.926 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.954 27.053 13.555 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.357 26.289 12.094 1.00 0.00 H new ATOM 0 HG SER A 50 4.164 24.743 13.628 1.00 0.00 H new ATOM 829 N ASN A 51 4.417 28.809 10.095 1.00 0.00 N ATOM 830 CA ASN A 51 3.725 29.973 9.506 1.00 0.00 C ATOM 831 C ASN A 51 2.664 29.471 8.518 1.00 0.00 C ATOM 832 O ASN A 51 2.998 28.957 7.445 1.00 0.00 O ATOM 833 CB ASN A 51 4.725 30.925 8.799 1.00 0.00 C ATOM 834 CG ASN A 51 4.068 32.162 8.164 1.00 0.00 C ATOM 835 OD1 ASN A 51 3.651 32.145 7.004 1.00 0.00 O ATOM 836 ND2 ASN A 51 3.954 33.237 8.929 1.00 0.00 N ATOM 0 H ASN A 51 4.718 28.126 9.400 1.00 0.00 H new ATOM 0 HA ASN A 51 3.246 30.543 10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.471 31.254 9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.254 30.370 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.512 34.080 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.308 33.222 9.885 1.00 0.00 H new ATOM 843 N ASP A 52 1.391 29.588 8.916 1.00 0.00 N ATOM 844 CA ASP A 52 0.244 29.193 8.089 1.00 0.00 C ATOM 845 C ASP A 52 -0.621 30.428 7.821 1.00 0.00 C ATOM 846 O ASP A 52 -1.690 30.612 8.413 1.00 0.00 O ATOM 847 CB ASP A 52 -0.565 28.051 8.774 1.00 0.00 C ATOM 848 CG ASP A 52 -1.649 27.452 7.853 1.00 0.00 C ATOM 849 OD1 ASP A 52 -1.303 26.662 6.952 1.00 0.00 O ATOM 850 OD2 ASP A 52 -2.852 27.764 8.023 1.00 0.00 O ATOM 0 H ASP A 52 1.126 29.962 9.827 1.00 0.00 H new ATOM 0 HA ASP A 52 0.593 28.798 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.120 27.261 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.035 28.437 9.678 1.00 0.00 H new ATOM 855 N GLU A 53 -0.088 31.330 6.992 1.00 0.00 N ATOM 856 CA GLU A 53 -0.798 32.540 6.549 1.00 0.00 C ATOM 857 C GLU A 53 -1.372 32.301 5.149 1.00 0.00 C ATOM 858 O GLU A 53 -0.628 32.282 4.161 1.00 0.00 O ATOM 859 CB GLU A 53 0.143 33.784 6.561 1.00 0.00 C ATOM 860 CG GLU A 53 0.771 34.106 7.937 1.00 0.00 C ATOM 861 CD GLU A 53 -0.266 34.337 9.060 1.00 0.00 C ATOM 862 OE1 GLU A 53 -0.821 35.457 9.158 1.00 0.00 O ATOM 863 OE2 GLU A 53 -0.529 33.409 9.859 1.00 0.00 O ATOM 0 H GLU A 53 0.852 31.244 6.606 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.613 32.747 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.944 33.623 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.421 34.653 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.429 33.286 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.394 34.996 7.842 1.00 0.00 H new ATOM 870 N VAL A 54 -2.691 32.062 5.083 1.00 0.00 N ATOM 871 CA VAL A 54 -3.408 31.963 3.810 1.00 0.00 C ATOM 872 C VAL A 54 -3.626 33.390 3.270 1.00 0.00 C ATOM 873 O VAL A 54 -2.908 33.799 2.369 1.00 0.00 O ATOM 874 CB VAL A 54 -4.774 31.174 3.948 1.00 0.00 C ATOM 875 CG1 VAL A 54 -5.536 31.110 2.598 1.00 0.00 C ATOM 876 CG2 VAL A 54 -4.525 29.749 4.506 1.00 0.00 C ATOM 0 H VAL A 54 -3.282 31.934 5.904 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.809 31.387 3.105 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.402 31.719 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.468 30.561 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.756 32.121 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.920 30.603 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.475 29.222 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.868 29.203 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.057 29.819 5.488 1.00 0.00 H new ATOM 886 N LEU A 55 -4.532 34.153 3.932 1.00 0.00 N ATOM 887 CA LEU A 55 -4.991 35.510 3.524 1.00 0.00 C ATOM 888 C LEU A 55 -5.977 35.456 2.329 1.00 0.00 C ATOM 889 O LEU A 55 -6.099 34.444 1.634 1.00 0.00 O ATOM 890 CB LEU A 55 -3.815 36.487 3.193 1.00 0.00 C ATOM 891 CG LEU A 55 -2.847 36.874 4.353 1.00 0.00 C ATOM 892 CD1 LEU A 55 -1.679 37.749 3.838 1.00 0.00 C ATOM 893 CD2 LEU A 55 -3.609 37.573 5.504 1.00 0.00 C ATOM 0 H LEU A 55 -4.979 33.833 4.791 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.512 35.905 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.221 36.040 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.244 37.406 2.794 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.418 35.954 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.021 38.003 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.116 37.198 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.076 38.663 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.910 37.832 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.083 38.480 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.372 36.901 5.896 1.00 0.00 H new ATOM 905 N ASP A 56 -6.673 36.594 2.114 1.00 0.00 N ATOM 906 CA ASP A 56 -7.513 36.852 0.910 1.00 0.00 C ATOM 907 C ASP A 56 -6.659 37.581 -0.170 1.00 0.00 C ATOM 908 O ASP A 56 -7.164 38.137 -1.148 1.00 0.00 O ATOM 909 CB ASP A 56 -8.762 37.696 1.327 1.00 0.00 C ATOM 910 CG ASP A 56 -9.780 37.941 0.191 1.00 0.00 C ATOM 911 OD1 ASP A 56 -10.220 36.961 -0.442 1.00 0.00 O ATOM 912 OD2 ASP A 56 -10.133 39.111 -0.084 1.00 0.00 O ATOM 0 H ASP A 56 -6.671 37.371 2.775 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.865 35.914 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.269 37.190 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.423 38.660 1.707 1.00 0.00 H new ATOM 917 N GLU A 57 -5.339 37.500 0.018 1.00 0.00 N ATOM 918 CA GLU A 57 -4.301 38.174 -0.786 1.00 0.00 C ATOM 919 C GLU A 57 -3.977 37.336 -2.053 1.00 0.00 C ATOM 920 O GLU A 57 -3.314 37.807 -2.985 1.00 0.00 O ATOM 921 CB GLU A 57 -3.033 38.322 0.136 1.00 0.00 C ATOM 922 CG GLU A 57 -2.295 39.664 0.077 1.00 0.00 C ATOM 923 CD GLU A 57 -1.548 39.904 -1.243 1.00 0.00 C ATOM 924 OE1 GLU A 57 -0.406 39.410 -1.389 1.00 0.00 O ATOM 925 OE2 GLU A 57 -2.096 40.584 -2.143 1.00 0.00 O ATOM 0 H GLU A 57 -4.940 36.937 0.769 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.638 39.153 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.339 38.147 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.328 37.533 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.013 40.470 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.583 39.713 0.901 1.00 0.00 H new ATOM 932 N LEU A 58 -4.462 36.074 -2.051 1.00 0.00 N ATOM 933 CA LEU A 58 -4.020 35.026 -2.992 1.00 0.00 C ATOM 934 C LEU A 58 -4.931 34.928 -4.233 1.00 0.00 C ATOM 935 O LEU A 58 -6.078 35.373 -4.202 1.00 0.00 O ATOM 936 CB LEU A 58 -3.979 33.643 -2.273 1.00 0.00 C ATOM 937 CG LEU A 58 -3.470 33.583 -0.791 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.163 32.133 -0.350 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.263 34.496 -0.537 1.00 0.00 C ATOM 0 H LEU A 58 -5.173 35.755 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.022 35.304 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.987 33.229 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.350 32.980 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.289 33.960 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.813 32.133 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.068 31.530 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.391 31.712 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.956 34.412 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.438 34.197 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.536 35.529 -0.752 1.00 0.00 H new ATOM 951 N GLY A 59 -4.404 34.307 -5.309 1.00 0.00 N ATOM 952 CA GLY A 59 -5.189 34.017 -6.527 1.00 0.00 C ATOM 953 C GLY A 59 -5.718 32.582 -6.545 1.00 0.00 C ATOM 954 O GLY A 59 -5.184 31.731 -5.836 1.00 0.00 O ATOM 0 H GLY A 59 -3.434 33.996 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.026 34.712 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.567 34.184 -7.406 1.00 0.00 H new ATOM 958 N GLN A 60 -6.739 32.311 -7.387 1.00 0.00 N ATOM 959 CA GLN A 60 -7.451 31.010 -7.409 1.00 0.00 C ATOM 960 C GLN A 60 -6.519 29.854 -7.848 1.00 0.00 C ATOM 961 O GLN A 60 -6.214 28.960 -7.048 1.00 0.00 O ATOM 962 CB GLN A 60 -8.684 31.085 -8.349 1.00 0.00 C ATOM 963 CG GLN A 60 -9.695 32.205 -8.012 1.00 0.00 C ATOM 964 CD GLN A 60 -10.926 32.224 -8.931 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.858 31.832 -10.096 1.00 0.00 O ATOM 966 NE2 GLN A 60 -12.053 32.707 -8.429 1.00 0.00 N ATOM 0 H GLN A 60 -7.093 32.983 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.785 30.802 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.334 31.227 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.203 30.127 -8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.025 32.086 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.190 33.169 -8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.085 33.026 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.889 32.760 -9.011 1.00 0.00 H new ATOM 975 N VAL A 61 -6.041 29.920 -9.113 1.00 0.00 N ATOM 976 CA VAL A 61 -5.095 28.932 -9.694 1.00 0.00 C ATOM 977 C VAL A 61 -3.792 28.880 -8.877 1.00 0.00 C ATOM 978 O VAL A 61 -3.152 27.831 -8.784 1.00 0.00 O ATOM 979 CB VAL A 61 -4.793 29.260 -11.213 1.00 0.00 C ATOM 980 CG1 VAL A 61 -4.148 30.663 -11.392 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.933 28.151 -11.881 1.00 0.00 C ATOM 0 H VAL A 61 -6.300 30.662 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.565 27.950 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.755 29.282 -11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.959 30.844 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.825 31.426 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.207 30.704 -10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.747 28.413 -12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.983 28.061 -11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.465 27.201 -11.835 1.00 0.00 H new ATOM 991 N GLY A 62 -3.439 30.027 -8.262 1.00 0.00 N ATOM 992 CA GLY A 62 -2.283 30.114 -7.385 1.00 0.00 C ATOM 993 C GLY A 62 -2.397 29.179 -6.191 1.00 0.00 C ATOM 994 O GLY A 62 -1.506 28.375 -5.967 1.00 0.00 O ATOM 0 H GLY A 62 -3.950 30.904 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.382 29.872 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.173 31.139 -7.032 1.00 0.00 H new ATOM 998 N GLN A 63 -3.538 29.260 -5.470 1.00 0.00 N ATOM 999 CA GLN A 63 -3.795 28.466 -4.242 1.00 0.00 C ATOM 1000 C GLN A 63 -3.992 26.981 -4.550 1.00 0.00 C ATOM 1001 O GLN A 63 -3.531 26.125 -3.801 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.061 28.970 -3.514 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.950 30.378 -2.950 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.217 30.849 -2.235 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.100 31.459 -2.840 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.314 30.564 -0.943 1.00 0.00 N ATOM 0 H GLN A 63 -4.309 29.878 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.916 28.591 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.901 28.936 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.293 28.284 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.113 30.417 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.722 31.069 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.563 30.057 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.140 30.852 -0.418 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.716 26.707 -5.640 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.103 25.336 -6.037 1.00 0.00 C ATOM 1017 C ASP A 64 -3.876 24.539 -6.438 1.00 0.00 C ATOM 1018 O ASP A 64 -3.716 23.380 -6.039 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.143 25.342 -7.192 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.546 25.770 -6.724 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.115 25.086 -5.841 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.089 26.769 -7.231 1.00 0.00 O ATOM 0 H ASP A 64 -5.054 27.427 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.572 24.863 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.804 26.018 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.199 24.346 -7.631 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.004 25.183 -7.220 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.745 24.577 -7.646 1.00 0.00 C ATOM 1029 C GLU A 65 -0.779 24.459 -6.451 1.00 0.00 C ATOM 1030 O GLU A 65 -0.090 23.459 -6.319 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.116 25.396 -8.792 1.00 0.00 C ATOM 1032 CG GLU A 65 0.043 24.686 -9.513 1.00 0.00 C ATOM 1033 CD GLU A 65 0.537 25.415 -10.775 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -0.152 25.340 -11.821 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.609 26.058 -10.738 1.00 0.00 O ATOM 0 H GLU A 65 -3.151 26.129 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.944 23.573 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.891 25.634 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.754 26.343 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.877 24.577 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.276 23.681 -9.788 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.787 25.489 -5.586 1.00 0.00 N ATOM 1043 CA LEU A 66 0.039 25.566 -4.354 1.00 0.00 C ATOM 1044 C LEU A 66 -0.250 24.376 -3.415 1.00 0.00 C ATOM 1045 O LEU A 66 0.664 23.733 -2.884 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.309 26.885 -3.613 1.00 0.00 C ATOM 1047 CG LEU A 66 0.709 27.440 -2.580 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.039 27.810 -3.255 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.103 28.651 -1.833 1.00 0.00 C ATOM 0 H LEU A 66 -1.377 26.310 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 66 1.092 25.537 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.472 27.656 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.258 26.736 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 66 0.922 26.658 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.732 28.196 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.468 26.924 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.862 28.573 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.825 29.032 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.142 29.435 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.802 28.341 -1.311 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.557 24.124 -3.239 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.096 23.115 -2.315 1.00 0.00 C ATOM 1063 C ARG A 67 -1.915 21.708 -2.908 1.00 0.00 C ATOM 1064 O ARG A 67 -1.729 20.741 -2.169 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.594 23.424 -2.035 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.220 22.679 -0.836 1.00 0.00 C ATOM 1067 CD ARG A 67 -5.684 23.089 -0.603 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.246 22.512 0.630 1.00 0.00 N ATOM 1069 CZ ARG A 67 -7.415 21.859 0.732 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.162 21.604 -0.340 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -7.826 21.458 1.921 1.00 0.00 N ATOM 0 H ARG A 67 -2.284 24.628 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.553 23.149 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.700 24.496 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.169 23.183 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.168 21.604 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.638 22.885 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.749 24.176 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.286 22.772 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.698 22.618 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.850 21.906 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.047 21.106 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.258 21.645 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.712 20.961 2.013 1.00 0.00 H new ATOM 1085 N ALA A 68 -1.972 21.627 -4.257 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.706 20.388 -5.012 1.00 0.00 C ATOM 1087 C ALA A 68 -0.221 19.995 -4.908 1.00 0.00 C ATOM 1088 O ALA A 68 0.101 18.811 -4.779 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.119 20.560 -6.484 1.00 0.00 C ATOM 0 H ALA A 68 -2.205 22.423 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.301 19.585 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.917 19.638 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.183 20.788 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.550 21.376 -6.929 1.00 0.00 H new ATOM 1095 N ILE A 69 0.668 21.011 -4.959 1.00 0.00 N ATOM 1096 CA ILE A 69 2.121 20.832 -4.778 1.00 0.00 C ATOM 1097 C ILE A 69 2.403 20.319 -3.359 1.00 0.00 C ATOM 1098 O ILE A 69 3.135 19.352 -3.177 1.00 0.00 O ATOM 1099 CB ILE A 69 2.920 22.177 -5.036 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.873 22.591 -6.545 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.381 22.073 -4.549 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.498 23.941 -6.882 1.00 0.00 C ATOM 0 H ILE A 69 0.395 21.979 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 69 2.463 20.102 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 69 2.426 22.956 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.378 21.822 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.832 22.603 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.897 23.013 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.394 21.866 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.885 21.266 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.410 24.126 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.981 24.728 -6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.551 23.935 -6.601 1.00 0.00 H new ATOM 1114 N ASP A 70 1.778 20.979 -2.377 1.00 0.00 N ATOM 1115 CA ASP A 70 1.933 20.654 -0.950 1.00 0.00 C ATOM 1116 C ASP A 70 1.406 19.231 -0.650 1.00 0.00 C ATOM 1117 O ASP A 70 1.986 18.502 0.164 1.00 0.00 O ATOM 1118 CB ASP A 70 1.186 21.717 -0.103 1.00 0.00 C ATOM 1119 CG ASP A 70 1.439 21.581 1.409 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.542 21.960 1.860 1.00 0.00 O ATOM 1121 OD2 ASP A 70 0.549 21.095 2.146 1.00 0.00 O ATOM 0 H ASP A 70 1.145 21.760 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 70 2.991 20.670 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.494 22.711 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.116 21.636 -0.294 1.00 0.00 H new ATOM 1126 N ALA A 71 0.329 18.848 -1.356 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.293 17.515 -1.244 1.00 0.00 C ATOM 1128 C ALA A 71 0.613 16.433 -1.850 1.00 0.00 C ATOM 1129 O ALA A 71 0.743 15.341 -1.296 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.661 17.512 -1.938 1.00 0.00 C ATOM 0 H ALA A 71 -0.139 19.458 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.430 17.289 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.112 16.523 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.310 18.250 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.535 17.760 -2.992 1.00 0.00 H new ATOM 1136 N ALA A 72 1.244 16.770 -2.987 1.00 0.00 N ATOM 1137 CA ALA A 72 2.146 15.866 -3.716 1.00 0.00 C ATOM 1138 C ALA A 72 3.430 15.609 -2.908 1.00 0.00 C ATOM 1139 O ALA A 72 3.871 14.469 -2.804 1.00 0.00 O ATOM 1140 CB ALA A 72 2.469 16.444 -5.097 1.00 0.00 C ATOM 0 H ALA A 72 1.141 17.684 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 72 1.645 14.908 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.138 15.766 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.547 16.564 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.953 17.414 -4.981 1.00 0.00 H new ATOM 1146 N LEU A 73 3.985 16.687 -2.319 1.00 0.00 N ATOM 1147 CA LEU A 73 5.170 16.635 -1.427 1.00 0.00 C ATOM 1148 C LEU A 73 4.889 15.779 -0.179 1.00 0.00 C ATOM 1149 O LEU A 73 5.754 15.022 0.282 1.00 0.00 O ATOM 1150 CB LEU A 73 5.585 18.073 -1.011 1.00 0.00 C ATOM 1151 CG LEU A 73 6.203 18.953 -2.142 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.357 20.419 -1.692 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.555 18.370 -2.623 1.00 0.00 C ATOM 0 H LEU A 73 3.622 17.631 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 73 5.990 16.170 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.707 18.585 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.306 18.002 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 73 5.514 18.940 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.790 21.005 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.379 20.825 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.011 20.466 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.964 19.002 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.254 18.334 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.400 17.363 -3.010 1.00 0.00 H new ATOM 1165 N ALA A 74 3.657 15.916 0.344 1.00 0.00 N ATOM 1166 CA ALA A 74 3.163 15.121 1.479 1.00 0.00 C ATOM 1167 C ALA A 74 3.071 13.624 1.097 1.00 0.00 C ATOM 1168 O ALA A 74 3.366 12.752 1.915 1.00 0.00 O ATOM 1169 CB ALA A 74 1.796 15.656 1.945 1.00 0.00 C ATOM 0 H ALA A 74 2.974 16.585 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 74 3.868 15.213 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.439 15.060 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.899 16.696 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.081 15.591 1.125 1.00 0.00 H new ATOM 1175 N ARG A 75 2.672 13.353 -0.169 1.00 0.00 N ATOM 1176 CA ARG A 75 2.595 11.981 -0.730 1.00 0.00 C ATOM 1177 C ARG A 75 3.992 11.379 -0.939 1.00 0.00 C ATOM 1178 O ARG A 75 4.140 10.168 -0.875 1.00 0.00 O ATOM 1179 CB ARG A 75 1.807 11.962 -2.072 1.00 0.00 C ATOM 1180 CG ARG A 75 0.304 12.239 -1.925 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.423 12.366 -3.276 1.00 0.00 C ATOM 1182 NE ARG A 75 -1.835 12.731 -3.077 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.400 13.907 -3.409 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -1.713 14.846 -4.063 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -3.662 14.138 -3.082 1.00 0.00 N ATOM 0 H ARG A 75 2.394 14.078 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 75 2.061 11.371 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.238 12.705 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.941 10.989 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.153 11.435 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.164 13.158 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.069 13.120 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.359 11.423 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.440 12.030 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.740 14.680 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.161 15.730 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.198 13.428 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.099 15.026 -3.329 1.00 0.00 H new ATOM 1199 N ILE A 76 5.007 12.222 -1.192 1.00 0.00 N ATOM 1200 CA ILE A 76 6.401 11.745 -1.352 1.00 0.00 C ATOM 1201 C ILE A 76 6.942 11.274 0.009 1.00 0.00 C ATOM 1202 O ILE A 76 7.544 10.200 0.112 1.00 0.00 O ATOM 1203 CB ILE A 76 7.353 12.843 -1.951 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.774 13.382 -3.296 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.779 12.269 -2.148 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.455 14.604 -3.890 1.00 0.00 C ATOM 0 H ILE A 76 4.895 13.231 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 76 6.382 10.917 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 76 7.418 13.676 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.815 12.578 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.721 13.620 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.428 13.040 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.175 11.941 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.739 11.422 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.961 14.879 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.391 15.434 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.502 14.376 -4.089 1.00 0.00 H new ATOM 1218 N ALA A 77 6.679 12.091 1.048 1.00 0.00 N ATOM 1219 CA ALA A 77 7.049 11.776 2.441 1.00 0.00 C ATOM 1220 C ALA A 77 6.245 10.567 2.974 1.00 0.00 C ATOM 1221 O ALA A 77 6.712 9.843 3.859 1.00 0.00 O ATOM 1222 CB ALA A 77 6.845 13.015 3.331 1.00 0.00 C ATOM 0 H ALA A 77 6.204 12.988 0.945 1.00 0.00 H new ATOM 0 HA ALA A 77 8.103 11.500 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.120 12.775 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.471 13.830 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.799 13.319 3.297 1.00 0.00 H new ATOM 1228 N SER A 78 5.035 10.371 2.416 1.00 0.00 N ATOM 1229 CA SER A 78 4.172 9.213 2.717 1.00 0.00 C ATOM 1230 C SER A 78 4.567 7.992 1.849 1.00 0.00 C ATOM 1231 O SER A 78 4.205 6.860 2.170 1.00 0.00 O ATOM 1232 CB SER A 78 2.688 9.601 2.488 1.00 0.00 C ATOM 1233 OG SER A 78 1.795 8.537 2.799 1.00 0.00 O ATOM 0 H SER A 78 4.626 11.016 1.739 1.00 0.00 H new ATOM 0 HA SER A 78 4.306 8.930 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.443 10.468 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.549 9.896 1.448 1.00 0.00 H new ATOM 0 HG SER A 78 0.872 8.828 2.641 1.00 0.00 H new ATOM 1239 N GLY A 79 5.306 8.244 0.750 1.00 0.00 N ATOM 1240 CA GLY A 79 5.760 7.191 -0.171 1.00 0.00 C ATOM 1241 C GLY A 79 4.709 6.771 -1.200 1.00 0.00 C ATOM 1242 O GLY A 79 4.917 5.808 -1.936 1.00 0.00 O ATOM 0 H GLY A 79 5.603 9.182 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.649 7.540 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.055 6.317 0.409 1.00 0.00 H new ATOM 1246 N THR A 80 3.585 7.505 -1.254 1.00 0.00 N ATOM 1247 CA THR A 80 2.458 7.232 -2.170 1.00 0.00 C ATOM 1248 C THR A 80 2.326 8.369 -3.220 1.00 0.00 C ATOM 1249 O THR A 80 1.225 8.700 -3.692 1.00 0.00 O ATOM 1250 CB THR A 80 1.132 7.028 -1.354 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.051 6.668 -2.232 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.740 8.274 -0.539 1.00 0.00 C ATOM 0 H THR A 80 3.429 8.316 -0.656 1.00 0.00 H new ATOM 0 HA THR A 80 2.654 6.308 -2.714 1.00 0.00 H new ATOM 0 HB THR A 80 1.322 6.219 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.013 7.323 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.184 8.077 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.535 8.511 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.591 9.118 -1.213 1.00 0.00 H new ATOM 1260 N PHE A 81 3.472 8.976 -3.581 1.00 0.00 N ATOM 1261 CA PHE A 81 3.547 9.925 -4.705 1.00 0.00 C ATOM 1262 C PHE A 81 3.233 9.219 -6.035 1.00 0.00 C ATOM 1263 O PHE A 81 3.592 8.051 -6.233 1.00 0.00 O ATOM 1264 CB PHE A 81 4.938 10.601 -4.780 1.00 0.00 C ATOM 1265 CG PHE A 81 5.074 11.612 -5.939 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.429 12.850 -5.882 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.812 11.310 -7.088 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.525 13.749 -6.927 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.898 12.210 -8.135 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.259 13.430 -8.052 1.00 0.00 C ATOM 0 H PHE A 81 4.362 8.824 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 81 2.800 10.699 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.135 11.113 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.701 9.831 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.847 13.108 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.322 10.361 -7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.024 14.704 -6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.466 11.957 -9.018 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.333 14.135 -8.867 1.00 0.00 H new ATOM 1280 N GLY A 82 2.600 9.972 -6.949 1.00 0.00 N ATOM 1281 CA GLY A 82 2.188 9.454 -8.242 1.00 0.00 C ATOM 1282 C GLY A 82 0.999 8.528 -8.127 1.00 0.00 C ATOM 1283 O GLY A 82 0.904 7.532 -8.838 1.00 0.00 O ATOM 0 H GLY A 82 2.365 10.954 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.939 10.284 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.020 8.920 -8.701 1.00 0.00 H new ATOM 1287 N THR A 83 0.081 8.863 -7.217 1.00 0.00 N ATOM 1288 CA THR A 83 -1.153 8.107 -7.006 1.00 0.00 C ATOM 1289 C THR A 83 -2.366 9.027 -7.218 1.00 0.00 C ATOM 1290 O THR A 83 -2.534 10.027 -6.501 1.00 0.00 O ATOM 1291 CB THR A 83 -1.195 7.485 -5.573 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.012 6.703 -5.357 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.441 6.601 -5.346 1.00 0.00 C ATOM 0 H THR A 83 0.175 9.672 -6.603 1.00 0.00 H new ATOM 0 HA THR A 83 -1.185 7.291 -7.728 1.00 0.00 H new ATOM 0 HB THR A 83 -1.246 8.310 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.634 7.224 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.419 6.195 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.342 7.201 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.443 5.783 -6.066 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.182 8.709 -8.244 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.494 9.334 -8.440 1.00 0.00 C ATOM 1303 C CYS A 84 -5.414 8.899 -7.305 1.00 0.00 C ATOM 1304 O CYS A 84 -5.892 7.768 -7.312 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.136 8.951 -9.798 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.730 9.804 -10.079 1.00 0.00 S ATOM 0 H CYS A 84 -2.946 8.015 -8.953 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.355 10.415 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.447 9.198 -10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.293 7.873 -9.832 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.614 9.796 -6.330 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.434 9.536 -5.130 1.00 0.00 C ATOM 1313 C VAL A 85 -7.918 9.278 -5.488 1.00 0.00 C ATOM 1314 O VAL A 85 -8.603 8.502 -4.816 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.305 10.719 -4.097 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.835 10.881 -3.641 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.868 12.057 -4.660 1.00 0.00 C ATOM 0 H VAL A 85 -5.209 10.732 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.050 8.628 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.913 10.463 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.764 11.702 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.497 9.959 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.207 11.096 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.757 12.842 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.318 12.333 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.923 11.934 -4.903 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.376 9.910 -6.594 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.750 9.745 -7.123 1.00 0.00 C ATOM 1329 C LYS A 86 -9.933 8.359 -7.809 1.00 0.00 C ATOM 1330 O LYS A 86 -11.052 7.928 -8.079 1.00 0.00 O ATOM 1331 CB LYS A 86 -10.079 10.920 -8.093 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.568 11.026 -8.513 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.890 12.302 -9.334 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.683 13.604 -8.548 1.00 0.00 C ATOM 1335 NZ LYS A 86 -12.457 13.644 -7.277 1.00 0.00 N ATOM 0 H LYS A 86 -7.803 10.549 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.455 9.774 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.783 11.856 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.471 10.811 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.835 10.148 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.191 11.012 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.261 12.320 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.924 12.253 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.623 13.723 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.975 14.449 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.359 14.583 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.461 13.457 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.093 12.920 -6.626 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.809 7.670 -8.075 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.797 6.290 -8.627 1.00 0.00 C ATOM 1351 C CYS A 87 -8.286 5.272 -7.592 1.00 0.00 C ATOM 1352 O CYS A 87 -8.592 4.082 -7.687 1.00 0.00 O ATOM 1353 CB CYS A 87 -7.905 6.227 -9.887 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.635 6.970 -11.368 1.00 0.00 S ATOM 0 H CYS A 87 -7.876 8.050 -7.915 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.824 6.032 -8.887 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.961 6.728 -9.673 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.671 5.184 -10.098 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.506 5.755 -6.608 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.706 4.886 -5.737 1.00 0.00 C ATOM 1361 C GLY A 88 -5.606 4.125 -6.495 1.00 0.00 C ATOM 1362 O GLY A 88 -5.109 3.110 -6.012 1.00 0.00 O ATOM 0 H GLY A 88 -7.415 6.749 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.249 5.489 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.364 4.169 -5.245 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.222 4.638 -7.689 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.297 3.953 -8.628 1.00 0.00 C ATOM 1368 C LYS A 89 -3.128 4.885 -9.011 1.00 0.00 C ATOM 1369 O LYS A 89 -3.067 6.013 -8.550 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.046 3.516 -9.919 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.253 2.570 -9.712 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.803 2.009 -11.049 1.00 0.00 C ATOM 1373 CE LYS A 89 -7.211 3.108 -12.046 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.632 2.539 -13.350 1.00 0.00 N ATOM 0 H LYS A 89 -5.546 5.543 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.906 3.069 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.395 4.411 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.333 3.024 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.955 1.742 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.047 3.107 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.045 1.374 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.666 1.376 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.027 3.696 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.374 3.789 -12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.899 3.310 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.845 1.999 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.447 1.909 -13.207 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.245 4.396 -9.900 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.038 5.112 -10.368 1.00 0.00 C ATOM 1390 C ARG A 90 -1.400 6.278 -11.334 1.00 0.00 C ATOM 1391 O ARG A 90 -2.457 6.268 -11.985 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.095 4.076 -11.061 1.00 0.00 C ATOM 1393 CG ARG A 90 1.244 4.618 -11.620 1.00 0.00 C ATOM 1394 CD ARG A 90 2.183 5.198 -10.544 1.00 0.00 C ATOM 1395 NE ARG A 90 2.578 4.204 -9.533 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.906 4.471 -8.256 1.00 0.00 C ATOM 1397 NH1 ARG A 90 2.820 5.707 -7.768 1.00 0.00 N ATOM 1398 NH2 ARG A 90 3.303 3.491 -7.461 1.00 0.00 N ATOM 0 H ARG A 90 -2.350 3.474 -10.323 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.531 5.565 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.131 3.288 -10.343 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.643 3.613 -11.881 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.760 3.813 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.031 5.392 -12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.077 5.595 -11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.689 6.035 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 90 2.605 3.227 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.501 6.470 -8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.073 5.891 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.360 2.537 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.553 3.690 -6.492 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.526 7.301 -11.361 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.551 8.412 -12.337 1.00 0.00 C ATOM 1414 C ILE A 91 0.364 8.062 -13.540 1.00 0.00 C ATOM 1415 O ILE A 91 1.368 7.357 -13.366 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.030 9.756 -11.674 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.906 10.201 -10.466 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.060 10.907 -12.697 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.246 10.790 -10.836 1.00 0.00 C ATOM 0 H ILE A 91 0.237 7.382 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.579 8.555 -12.669 1.00 0.00 H new ATOM 0 HB ILE A 91 0.972 9.534 -11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.070 9.340 -9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.350 10.936 -9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.421 11.808 -12.200 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.750 10.632 -13.495 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.927 11.096 -13.120 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.783 11.070 -9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.096 11.674 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.827 10.052 -11.389 1.00 0.00 H new ATOM 1431 N SER A 92 0.024 8.572 -14.742 1.00 0.00 N ATOM 1432 CA SER A 92 0.864 8.415 -15.950 1.00 0.00 C ATOM 1433 C SER A 92 2.215 9.147 -15.762 1.00 0.00 C ATOM 1434 O SER A 92 2.259 10.206 -15.123 1.00 0.00 O ATOM 1435 CB SER A 92 0.128 8.971 -17.197 1.00 0.00 C ATOM 1436 OG SER A 92 -1.145 8.368 -17.348 1.00 0.00 O ATOM 0 H SER A 92 -0.833 9.100 -14.903 1.00 0.00 H new ATOM 0 HA SER A 92 1.056 7.353 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.014 10.051 -17.104 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.728 8.789 -18.089 1.00 0.00 H new ATOM 0 HG SER A 92 -1.590 8.736 -18.140 1.00 0.00 H new ATOM 1442 N GLU A 93 3.300 8.581 -16.325 1.00 0.00 N ATOM 1443 CA GLU A 93 4.655 9.172 -16.250 1.00 0.00 C ATOM 1444 C GLU A 93 4.670 10.587 -16.858 1.00 0.00 C ATOM 1445 O GLU A 93 5.272 11.509 -16.299 1.00 0.00 O ATOM 1446 CB GLU A 93 5.677 8.276 -16.996 1.00 0.00 C ATOM 1447 CG GLU A 93 7.125 8.810 -16.973 1.00 0.00 C ATOM 1448 CD GLU A 93 8.090 7.998 -17.847 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.197 8.295 -19.056 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.734 7.055 -17.338 1.00 0.00 O ATOM 0 H GLU A 93 3.265 7.704 -16.844 1.00 0.00 H new ATOM 0 HA GLU A 93 4.935 9.238 -15.199 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.662 7.281 -16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.359 8.167 -18.033 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.127 9.847 -17.310 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.488 8.808 -15.945 1.00 0.00 H new ATOM 1457 N ASP A 94 3.987 10.727 -18.006 1.00 0.00 N ATOM 1458 CA ASP A 94 3.888 11.998 -18.745 1.00 0.00 C ATOM 1459 C ASP A 94 3.063 13.035 -17.984 1.00 0.00 C ATOM 1460 O ASP A 94 3.349 14.233 -18.052 1.00 0.00 O ATOM 1461 CB ASP A 94 3.323 11.765 -20.160 1.00 0.00 C ATOM 1462 CG ASP A 94 4.309 10.972 -21.021 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.243 11.584 -21.583 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.191 9.733 -21.105 1.00 0.00 O ATOM 0 H ASP A 94 3.485 9.958 -18.450 1.00 0.00 H new ATOM 0 HA ASP A 94 4.896 12.401 -18.843 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.378 11.226 -20.094 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.111 12.724 -20.633 1.00 0.00 H new ATOM 1469 N ARG A 95 2.059 12.555 -17.246 1.00 0.00 N ATOM 1470 CA ARG A 95 1.254 13.398 -16.351 1.00 0.00 C ATOM 1471 C ARG A 95 2.112 13.883 -15.158 1.00 0.00 C ATOM 1472 O ARG A 95 1.885 14.969 -14.666 1.00 0.00 O ATOM 1473 CB ARG A 95 0.009 12.622 -15.847 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.925 13.413 -14.893 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.873 14.387 -15.601 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.701 15.135 -14.640 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.407 16.243 -14.922 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.398 16.779 -16.137 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.119 16.819 -13.973 1.00 0.00 N ATOM 0 H ARG A 95 1.780 11.574 -17.250 1.00 0.00 H new ATOM 0 HA ARG A 95 0.911 14.269 -16.909 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.571 12.299 -16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.346 11.721 -15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.517 12.705 -14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.313 13.971 -14.184 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.293 15.086 -16.204 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.518 13.835 -16.285 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.742 14.784 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.847 16.349 -16.880 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.942 17.621 -16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.131 16.423 -13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.658 17.660 -14.179 1.00 0.00 H new ATOM 1493 N LEU A 96 3.098 13.071 -14.707 1.00 0.00 N ATOM 1494 CA LEU A 96 3.985 13.453 -13.573 1.00 0.00 C ATOM 1495 C LEU A 96 5.117 14.403 -14.014 1.00 0.00 C ATOM 1496 O LEU A 96 5.502 15.295 -13.269 1.00 0.00 O ATOM 1497 CB LEU A 96 4.602 12.206 -12.872 1.00 0.00 C ATOM 1498 CG LEU A 96 3.588 11.289 -12.134 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.229 9.964 -11.672 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.932 12.045 -10.948 1.00 0.00 C ATOM 0 H LEU A 96 3.301 12.154 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 96 3.348 13.978 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.126 11.612 -13.620 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.349 12.546 -12.154 1.00 0.00 H new ATOM 0 HG LEU A 96 2.807 11.025 -12.847 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.482 9.357 -11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.607 9.421 -12.538 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.052 10.176 -10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.225 11.387 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.703 12.357 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.406 12.923 -11.323 1.00 0.00 H new ATOM 1512 N LYS A 97 5.660 14.189 -15.222 1.00 0.00 N ATOM 1513 CA LYS A 97 6.792 15.001 -15.736 1.00 0.00 C ATOM 1514 C LYS A 97 6.289 16.392 -16.177 1.00 0.00 C ATOM 1515 O LYS A 97 7.031 17.379 -16.130 1.00 0.00 O ATOM 1516 CB LYS A 97 7.525 14.254 -16.894 1.00 0.00 C ATOM 1517 CG LYS A 97 6.767 14.228 -18.242 1.00 0.00 C ATOM 1518 CD LYS A 97 7.478 13.409 -19.345 1.00 0.00 C ATOM 1519 CE LYS A 97 7.668 11.931 -18.969 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.198 11.131 -20.101 1.00 0.00 N ATOM 0 H LYS A 97 5.340 13.465 -15.865 1.00 0.00 H new ATOM 0 HA LYS A 97 7.518 15.147 -14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.496 14.723 -17.050 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.713 13.227 -16.581 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.772 13.814 -18.080 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.633 15.251 -18.592 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.899 13.472 -20.266 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.452 13.854 -19.549 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.351 11.858 -18.123 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.714 11.514 -18.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.247 10.129 -19.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.569 11.234 -20.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.150 11.469 -20.349 1.00 0.00 H new ATOM 1534 N ALA A 98 5.010 16.444 -16.599 1.00 0.00 N ATOM 1535 CA ALA A 98 4.343 17.681 -17.033 1.00 0.00 C ATOM 1536 C ALA A 98 3.628 18.370 -15.861 1.00 0.00 C ATOM 1537 O ALA A 98 3.656 19.597 -15.740 1.00 0.00 O ATOM 1538 CB ALA A 98 3.347 17.372 -18.159 1.00 0.00 C ATOM 0 H ALA A 98 4.409 15.621 -16.647 1.00 0.00 H new ATOM 0 HA ALA A 98 5.105 18.365 -17.407 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.857 18.293 -18.475 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.878 16.935 -19.005 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.597 16.668 -17.798 1.00 0.00 H new ATOM 1544 N VAL A 99 2.964 17.566 -15.010 1.00 0.00 N ATOM 1545 CA VAL A 99 2.139 18.061 -13.880 1.00 0.00 C ATOM 1546 C VAL A 99 2.514 17.253 -12.599 1.00 0.00 C ATOM 1547 O VAL A 99 1.776 16.346 -12.197 1.00 0.00 O ATOM 1548 CB VAL A 99 0.580 17.910 -14.185 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.281 18.758 -13.237 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.224 18.211 -15.662 1.00 0.00 C ATOM 0 H VAL A 99 2.982 16.549 -15.083 1.00 0.00 H new ATOM 0 HA VAL A 99 2.342 19.122 -13.733 1.00 0.00 H new ATOM 0 HB VAL A 99 0.347 16.861 -14.004 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.334 18.623 -13.483 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.106 18.445 -12.208 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.015 19.809 -13.346 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.849 18.092 -15.809 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.512 19.234 -15.905 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.758 17.519 -16.313 1.00 0.00 H new ATOM 1560 N PRO A 100 3.687 17.536 -11.944 1.00 0.00 N ATOM 1561 CA PRO A 100 4.182 16.722 -10.788 1.00 0.00 C ATOM 1562 C PRO A 100 3.407 16.956 -9.474 1.00 0.00 C ATOM 1563 O PRO A 100 3.733 16.359 -8.451 1.00 0.00 O ATOM 1564 CB PRO A 100 5.664 17.167 -10.663 1.00 0.00 C ATOM 1565 CG PRO A 100 5.676 18.576 -11.176 1.00 0.00 C ATOM 1566 CD PRO A 100 4.632 18.638 -12.276 1.00 0.00 C ATOM 0 HA PRO A 100 4.049 15.654 -10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.008 17.118 -9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.322 16.525 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.443 19.282 -10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.661 18.842 -11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.127 19.604 -12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.080 18.496 -13.259 1.00 0.00 H new ATOM 1574 N TYR A 101 2.391 17.823 -9.510 1.00 0.00 N ATOM 1575 CA TYR A 101 1.598 18.199 -8.320 1.00 0.00 C ATOM 1576 C TYR A 101 0.187 17.610 -8.344 1.00 0.00 C ATOM 1577 O TYR A 101 -0.529 17.703 -7.344 1.00 0.00 O ATOM 1578 CB TYR A 101 1.536 19.741 -8.189 1.00 0.00 C ATOM 1579 CG TYR A 101 1.176 20.499 -9.480 1.00 0.00 C ATOM 1580 CD1 TYR A 101 -0.153 20.727 -9.852 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.177 20.982 -10.330 1.00 0.00 C ATOM 1582 CE1 TYR A 101 -0.461 21.414 -11.014 1.00 0.00 C ATOM 1583 CE2 TYR A 101 1.868 21.661 -11.488 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.553 21.878 -11.829 1.00 0.00 C ATOM 1585 OH TYR A 101 0.250 22.570 -12.986 1.00 0.00 O ATOM 0 H TYR A 101 2.089 18.290 -10.365 1.00 0.00 H new ATOM 0 HA TYR A 101 2.102 17.778 -7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.804 19.995 -7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.503 20.098 -7.836 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.951 20.361 -9.223 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.213 20.819 -10.073 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.493 21.587 -11.283 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.659 22.023 -12.129 1.00 0.00 H new ATOM 0 HH TYR A 101 0.071 23.509 -12.768 1.00 0.00 H new ATOM 1595 N THR A 102 -0.207 17.005 -9.474 1.00 0.00 N ATOM 1596 CA THR A 102 -1.593 16.576 -9.691 1.00 0.00 C ATOM 1597 C THR A 102 -2.018 15.436 -8.705 1.00 0.00 C ATOM 1598 O THR A 102 -1.344 14.405 -8.603 1.00 0.00 O ATOM 1599 CB THR A 102 -1.822 16.153 -11.178 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.212 15.942 -11.419 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.019 14.898 -11.582 1.00 0.00 C ATOM 0 H THR A 102 0.419 16.802 -10.253 1.00 0.00 H new ATOM 0 HA THR A 102 -2.232 17.433 -9.480 1.00 0.00 H new ATOM 0 HB THR A 102 -1.457 16.973 -11.797 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.459 15.037 -11.136 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.222 14.657 -12.625 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.046 15.091 -11.455 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.314 14.059 -10.952 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.119 15.649 -7.906 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.722 14.576 -7.078 1.00 0.00 C ATOM 1611 C PRO A 103 -4.561 13.595 -7.923 1.00 0.00 C ATOM 1612 O PRO A 103 -4.860 12.474 -7.488 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.606 15.367 -6.079 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.995 16.613 -6.813 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.816 16.957 -7.701 1.00 0.00 C ATOM 0 HA PRO A 103 -2.977 13.947 -6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.484 14.791 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.058 15.601 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.896 16.452 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.211 17.425 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.142 17.387 -8.648 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.160 17.688 -7.228 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.954 14.046 -9.129 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.827 13.289 -10.044 1.00 0.00 C ATOM 1625 C PHE A 104 -5.038 12.885 -11.300 1.00 0.00 C ATOM 1626 O PHE A 104 -3.974 13.421 -11.577 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.074 14.136 -10.440 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.745 14.880 -9.283 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.028 14.236 -8.077 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.065 16.231 -9.401 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.611 14.923 -7.030 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.648 16.917 -8.354 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.923 16.264 -7.170 1.00 0.00 C ATOM 0 H PHE A 104 -4.672 14.954 -9.498 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.173 12.390 -9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.776 14.863 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.809 13.478 -10.904 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.788 13.189 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.854 16.749 -10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.823 14.413 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.889 17.964 -8.462 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.382 16.800 -6.352 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.559 11.915 -12.054 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.948 11.495 -13.330 1.00 0.00 C ATOM 1645 C CYS A 105 -5.586 12.293 -14.474 1.00 0.00 C ATOM 1646 O CYS A 105 -6.592 12.966 -14.255 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.113 9.971 -13.510 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.827 9.402 -13.698 1.00 0.00 S ATOM 0 H CYS A 105 -6.405 11.401 -11.808 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.878 11.703 -13.332 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.545 9.660 -14.387 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.672 9.469 -12.649 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.997 12.224 -15.678 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.480 12.960 -16.872 1.00 0.00 C ATOM 1655 C GLN A 106 -6.971 12.654 -17.177 1.00 0.00 C ATOM 1656 O GLN A 106 -7.715 13.534 -17.624 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.573 12.604 -18.084 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.988 13.227 -19.442 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.976 12.983 -20.572 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -3.070 13.788 -20.799 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.126 11.876 -21.287 1.00 0.00 N ATOM 0 H GLN A 106 -4.169 11.656 -15.858 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.420 14.030 -16.674 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.555 12.919 -17.857 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.554 11.520 -18.194 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.954 12.819 -19.738 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.122 14.301 -19.313 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.886 11.230 -21.074 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.481 11.671 -22.050 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.389 11.415 -16.865 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.772 10.945 -17.057 1.00 0.00 C ATOM 1672 C GLU A 107 -9.720 11.688 -16.088 1.00 0.00 C ATOM 1673 O GLU A 107 -10.779 12.172 -16.486 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.889 9.400 -16.843 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.827 8.521 -17.565 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.511 8.327 -16.768 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.435 7.389 -15.947 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -5.561 9.127 -16.931 1.00 0.00 O ATOM 0 H GLU A 107 -6.772 10.706 -16.469 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.060 11.161 -18.086 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.831 9.197 -15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.878 9.083 -17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.261 7.543 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.591 8.974 -18.528 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.289 11.794 -14.815 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.047 12.514 -13.765 1.00 0.00 C ATOM 1687 C CYS A 108 -10.044 14.035 -14.012 1.00 0.00 C ATOM 1688 O CYS A 108 -10.998 14.711 -13.650 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.506 12.199 -12.357 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.841 10.515 -11.792 1.00 0.00 S ATOM 0 H CYS A 108 -8.414 11.388 -14.485 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.077 12.161 -13.818 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.429 12.365 -12.349 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.942 12.902 -11.647 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.959 14.548 -14.631 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.857 15.960 -15.059 1.00 0.00 C ATOM 1697 C ALA A 109 -9.894 16.275 -16.162 1.00 0.00 C ATOM 1698 O ALA A 109 -10.420 17.389 -16.240 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.421 16.267 -15.524 1.00 0.00 C ATOM 0 H ALA A 109 -8.130 13.995 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.082 16.605 -14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.355 17.309 -15.837 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.727 16.091 -14.702 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.164 15.619 -16.362 1.00 0.00 H new ATOM 1705 N ALA A 110 -10.188 15.260 -16.991 1.00 0.00 N ATOM 1706 CA ALA A 110 -11.244 15.325 -18.017 1.00 0.00 C ATOM 1707 C ALA A 110 -12.640 15.071 -17.403 1.00 0.00 C ATOM 1708 O ALA A 110 -13.658 15.456 -17.981 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.946 14.312 -19.133 1.00 0.00 C ATOM 0 H ALA A 110 -9.698 14.366 -16.969 1.00 0.00 H new ATOM 0 HA ALA A 110 -11.253 16.329 -18.441 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.729 14.363 -19.889 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.984 14.546 -19.590 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.913 13.307 -18.713 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.669 14.420 -16.223 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.918 14.069 -15.507 1.00 0.00 C ATOM 1717 C ALA A 111 -14.174 14.981 -14.281 1.00 0.00 C ATOM 1718 O ALA A 111 -14.937 14.613 -13.379 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.864 12.588 -15.098 1.00 0.00 C ATOM 0 H ALA A 111 -11.825 14.120 -15.735 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.757 14.231 -16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.780 12.323 -14.570 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.766 11.968 -15.989 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.008 12.422 -14.444 1.00 0.00 H new ATOM 1725 N LEU A 112 -13.556 16.181 -14.265 1.00 0.00 N ATOM 1726 CA LEU A 112 -13.783 17.200 -13.210 1.00 0.00 C ATOM 1727 C LEU A 112 -15.167 17.870 -13.409 1.00 0.00 C ATOM 1728 O LEU A 112 -15.334 18.631 -14.385 1.00 0.00 O ATOM 1729 CB LEU A 112 -12.650 18.273 -13.202 1.00 0.00 C ATOM 1730 CG LEU A 112 -11.243 17.779 -12.761 1.00 0.00 C ATOM 1731 CD1 LEU A 112 -10.180 18.900 -12.868 1.00 0.00 C ATOM 1732 CD2 LEU A 112 -11.288 17.169 -11.336 1.00 0.00 C ATOM 1733 OXT LEU A 112 -16.088 17.636 -12.595 1.00 0.00 O ATOM 0 H LEU A 112 -12.888 16.473 -14.978 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.767 16.698 -12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -12.568 18.692 -14.205 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.951 19.085 -12.541 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.942 16.990 -13.450 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.211 18.514 -12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.114 19.242 -13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.466 19.734 -12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.291 16.832 -11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.630 17.924 -10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.974 16.322 -11.324 1.00 0.00 H new TER 1745 LEU A 112 HETATM 1746 ZN ZN A 113 -8.028 9.140 -11.772 1.00 0.00 ZN